USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 679 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 16:sc= 0.98 USER MOD Single : A 8 HIS : no HD1:sc= -0.414 X(o=-0.41,f=0.00083) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 17 GLN : amide:sc= -0.332 K(o=-0.33,f=-0.96) USER MOD Single : A 20 MET CE :methyl -126:sc= -0.121 (180deg=-0.597) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -112:sc= 1.12 (180deg=-0.596) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.27) USER MOD Single : A 41 GLN : amide:sc= -0.242 K(o=-0.24,f=-0.82) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -145:sc= -2.64! (180deg=-3.81!) USER MOD Single : A 50 MET CE :methyl -141:sc= -0.149 (180deg=-2.39) USER MOD Single : A 52 GLN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0457 K(o=-0.046,f=-1.5!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= 0.803 (180deg=0.0728) USER MOD Single : A 74 GLN : amide:sc= 0.181 K(o=0.18,f=-1.9!) USER MOD Single : A 75 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.083) USER MOD Single : A 77 LYS NZ :NH3+ -124:sc= 0.608 (180deg=-0.167) USER MOD Single : A 79 MET CE :methyl 178:sc= -0.932 (180deg=-0.957) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 41.240 -4.791 10.155 1.00 0.00 N ATOM 2 CA GLY A 1 39.864 -5.224 10.315 1.00 0.00 C ATOM 3 C GLY A 1 39.080 -4.328 11.253 1.00 0.00 C ATOM 4 O GLY A 1 38.934 -4.633 12.436 1.00 0.00 O ATOM 0 H1 GLY A 1 41.733 -5.436 9.505 1.00 0.00 H new ATOM 0 H2 GLY A 1 41.257 -3.827 9.766 1.00 0.00 H new ATOM 0 H3 GLY A 1 41.717 -4.800 11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 39.376 -5.241 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.850 -6.245 10.696 1.00 0.00 H new ATOM 8 N SER A 2 38.575 -3.219 10.724 1.00 0.00 N ATOM 9 CA SER A 2 37.806 -2.272 11.523 1.00 0.00 C ATOM 10 C SER A 2 36.426 -2.041 10.913 1.00 0.00 C ATOM 11 O SER A 2 36.253 -2.117 9.697 1.00 0.00 O ATOM 12 CB SER A 2 38.554 -0.943 11.638 1.00 0.00 C ATOM 13 OG SER A 2 38.649 -0.300 10.379 1.00 0.00 O ATOM 0 H SER A 2 38.684 -2.954 9.745 1.00 0.00 H new ATOM 0 HA SER A 2 37.678 -2.696 12.519 1.00 0.00 H new ATOM 0 HB2 SER A 2 38.039 -0.292 12.344 1.00 0.00 H new ATOM 0 HB3 SER A 2 39.553 -1.118 12.037 1.00 0.00 H new ATOM 0 HG SER A 2 39.130 0.548 10.480 1.00 0.00 H new ATOM 19 N SER A 3 35.448 -1.759 11.768 1.00 0.00 N ATOM 20 CA SER A 3 34.083 -1.520 11.315 1.00 0.00 C ATOM 21 C SER A 3 33.595 -0.145 11.762 1.00 0.00 C ATOM 22 O SER A 3 34.174 0.471 12.655 1.00 0.00 O ATOM 23 CB SER A 3 33.148 -2.605 11.852 1.00 0.00 C ATOM 24 OG SER A 3 33.118 -2.598 13.269 1.00 0.00 O ATOM 0 H SER A 3 35.576 -1.691 12.778 1.00 0.00 H new ATOM 0 HA SER A 3 34.077 -1.552 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.142 -2.447 11.463 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.477 -3.582 11.497 1.00 0.00 H new ATOM 0 HG SER A 3 32.512 -3.299 13.587 1.00 0.00 H new ATOM 30 N GLY A 4 32.524 0.329 11.133 1.00 0.00 N ATOM 31 CA GLY A 4 31.975 1.627 11.479 1.00 0.00 C ATOM 32 C GLY A 4 30.740 1.969 10.668 1.00 0.00 C ATOM 33 O GLY A 4 30.731 2.949 9.923 1.00 0.00 O ATOM 0 H GLY A 4 32.027 -0.163 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.725 1.641 12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.734 2.393 11.320 1.00 0.00 H new ATOM 37 N SER A 5 29.697 1.159 10.811 1.00 0.00 N ATOM 38 CA SER A 5 28.453 1.378 10.082 1.00 0.00 C ATOM 39 C SER A 5 27.669 2.541 10.681 1.00 0.00 C ATOM 40 O SER A 5 27.239 2.486 11.833 1.00 0.00 O ATOM 41 CB SER A 5 27.598 0.109 10.097 1.00 0.00 C ATOM 42 OG SER A 5 26.448 0.259 9.283 1.00 0.00 O ATOM 0 H SER A 5 29.688 0.345 11.425 1.00 0.00 H new ATOM 0 HA SER A 5 28.704 1.626 9.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.189 -0.736 9.744 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.296 -0.118 11.120 1.00 0.00 H new ATOM 0 HG SER A 5 25.920 -0.566 9.308 1.00 0.00 H new ATOM 48 N SER A 6 27.487 3.594 9.890 1.00 0.00 N ATOM 49 CA SER A 6 26.758 4.773 10.343 1.00 0.00 C ATOM 50 C SER A 6 25.299 4.711 9.904 1.00 0.00 C ATOM 51 O SER A 6 24.995 4.759 8.713 1.00 0.00 O ATOM 52 CB SER A 6 27.414 6.044 9.799 1.00 0.00 C ATOM 53 OG SER A 6 27.246 6.142 8.395 1.00 0.00 O ATOM 0 H SER A 6 27.834 3.655 8.933 1.00 0.00 H new ATOM 0 HA SER A 6 26.790 4.794 11.432 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.978 6.918 10.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.476 6.042 10.042 1.00 0.00 H new ATOM 0 HG SER A 6 26.545 5.521 8.105 1.00 0.00 H new ATOM 59 N GLY A 7 24.398 4.604 10.876 1.00 0.00 N ATOM 60 CA GLY A 7 22.981 4.537 10.571 1.00 0.00 C ATOM 61 C GLY A 7 22.128 5.205 11.630 1.00 0.00 C ATOM 62 O GLY A 7 21.527 4.533 12.469 1.00 0.00 O ATOM 0 H GLY A 7 24.625 4.563 11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.797 5.012 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.682 3.493 10.474 1.00 0.00 H new ATOM 66 N HIS A 8 22.075 6.533 11.595 1.00 0.00 N ATOM 67 CA HIS A 8 21.289 7.293 12.561 1.00 0.00 C ATOM 68 C HIS A 8 20.372 8.286 11.854 1.00 0.00 C ATOM 69 O HIS A 8 20.566 8.598 10.680 1.00 0.00 O ATOM 70 CB HIS A 8 22.211 8.033 13.530 1.00 0.00 C ATOM 71 CG HIS A 8 23.052 9.084 12.873 1.00 0.00 C ATOM 72 ND1 HIS A 8 23.023 10.412 13.243 1.00 0.00 N ATOM 73 CD2 HIS A 8 23.950 8.995 11.864 1.00 0.00 C ATOM 74 CE1 HIS A 8 23.866 11.095 12.490 1.00 0.00 C ATOM 75 NE2 HIS A 8 24.442 10.259 11.645 1.00 0.00 N ATOM 0 H HIS A 8 22.567 7.105 10.908 1.00 0.00 H new ATOM 0 HA HIS A 8 20.672 6.592 13.122 1.00 0.00 H new ATOM 0 HB2 HIS A 8 21.607 8.498 14.310 1.00 0.00 H new ATOM 0 HB3 HIS A 8 22.864 7.311 14.020 1.00 0.00 H new ATOM 0 HD2 HIS A 8 24.228 8.098 11.331 1.00 0.00 H new ATOM 0 HE1 HIS A 8 24.053 12.157 12.554 1.00 0.00 H new ATOM 0 HE2 HIS A 8 25.139 10.511 10.944 1.00 0.00 H new ATOM 84 N GLY A 9 19.371 8.779 12.577 1.00 0.00 N ATOM 85 CA GLY A 9 18.438 9.730 12.002 1.00 0.00 C ATOM 86 C GLY A 9 17.001 9.254 12.081 1.00 0.00 C ATOM 87 O GLY A 9 16.536 8.517 11.211 1.00 0.00 O ATOM 0 H GLY A 9 19.190 8.537 13.551 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.530 10.684 12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 9 18.702 9.908 10.959 1.00 0.00 H new ATOM 91 N ASP A 10 16.297 9.673 13.126 1.00 0.00 N ATOM 92 CA ASP A 10 14.905 9.284 13.316 1.00 0.00 C ATOM 93 C ASP A 10 14.062 10.478 13.754 1.00 0.00 C ATOM 94 O ASP A 10 14.529 11.343 14.494 1.00 0.00 O ATOM 95 CB ASP A 10 14.802 8.165 14.353 1.00 0.00 C ATOM 96 CG ASP A 10 15.697 6.986 14.023 1.00 0.00 C ATOM 97 OD1 ASP A 10 16.032 6.810 12.833 1.00 0.00 O ATOM 98 OD2 ASP A 10 16.064 6.241 14.955 1.00 0.00 O ATOM 0 H ASP A 10 16.668 10.282 13.855 1.00 0.00 H new ATOM 0 HA ASP A 10 14.522 8.921 12.362 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.069 8.557 15.334 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.768 7.826 14.416 1.00 0.00 H new ATOM 103 N GLY A 11 12.817 10.519 13.289 1.00 0.00 N ATOM 104 CA GLY A 11 11.929 11.612 13.642 1.00 0.00 C ATOM 105 C GLY A 11 10.506 11.148 13.883 1.00 0.00 C ATOM 106 O GLY A 11 10.051 10.152 13.319 1.00 0.00 O ATOM 0 H GLY A 11 12.407 9.815 12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.304 12.105 14.539 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.936 12.354 12.843 1.00 0.00 H new ATOM 110 N PRO A 12 9.778 11.879 14.740 1.00 0.00 N ATOM 111 CA PRO A 12 8.388 11.555 15.075 1.00 0.00 C ATOM 112 C PRO A 12 7.439 11.800 13.908 1.00 0.00 C ATOM 113 O PRO A 12 7.696 12.647 13.053 1.00 0.00 O ATOM 114 CB PRO A 12 8.071 12.507 16.231 1.00 0.00 C ATOM 115 CG PRO A 12 9.002 13.655 16.043 1.00 0.00 C ATOM 116 CD PRO A 12 10.256 13.078 15.448 1.00 0.00 C ATOM 0 HA PRO A 12 8.264 10.502 15.326 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.031 12.832 16.202 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.228 12.024 17.196 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.567 14.406 15.384 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.211 14.147 16.993 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.738 13.780 14.768 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.986 12.826 16.217 1.00 0.00 H new ATOM 124 N GLY A 13 6.339 11.053 13.878 1.00 0.00 N ATOM 125 CA GLY A 13 5.368 11.205 12.811 1.00 0.00 C ATOM 126 C GLY A 13 5.032 9.888 12.140 1.00 0.00 C ATOM 127 O GLY A 13 5.686 8.875 12.385 1.00 0.00 O ATOM 0 H GLY A 13 6.104 10.345 14.574 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.457 11.647 13.214 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.757 11.900 12.066 1.00 0.00 H new ATOM 131 N ASN A 14 4.009 9.901 11.292 1.00 0.00 N ATOM 132 CA ASN A 14 3.586 8.698 10.585 1.00 0.00 C ATOM 133 C ASN A 14 4.171 8.660 9.176 1.00 0.00 C ATOM 134 O ASN A 14 4.217 9.678 8.485 1.00 0.00 O ATOM 135 CB ASN A 14 2.059 8.630 10.518 1.00 0.00 C ATOM 136 CG ASN A 14 1.457 7.939 11.725 1.00 0.00 C ATOM 137 OD1 ASN A 14 1.769 8.277 12.868 1.00 0.00 O ATOM 138 ND2 ASN A 14 0.589 6.965 11.478 1.00 0.00 N ATOM 0 H ASN A 14 3.457 10.732 11.078 1.00 0.00 H new ATOM 0 HA ASN A 14 3.957 7.834 11.136 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.656 9.640 10.443 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.761 8.100 9.613 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.151 6.464 12.251 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.360 6.718 10.515 1.00 0.00 H new ATOM 145 N ALA A 15 4.616 7.480 8.757 1.00 0.00 N ATOM 146 CA ALA A 15 5.195 7.309 7.431 1.00 0.00 C ATOM 147 C ALA A 15 4.115 7.022 6.393 1.00 0.00 C ATOM 148 O ALA A 15 3.103 6.390 6.695 1.00 0.00 O ATOM 149 CB ALA A 15 6.226 6.191 7.445 1.00 0.00 C ATOM 0 H ALA A 15 4.586 6.628 9.317 1.00 0.00 H new ATOM 0 HA ALA A 15 5.689 8.240 7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.650 6.075 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.020 6.437 8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.748 5.259 7.747 1.00 0.00 H new ATOM 155 N VAL A 16 4.336 7.492 5.169 1.00 0.00 N ATOM 156 CA VAL A 16 3.382 7.285 4.087 1.00 0.00 C ATOM 157 C VAL A 16 4.097 7.066 2.758 1.00 0.00 C ATOM 158 O VAL A 16 5.041 7.782 2.425 1.00 0.00 O ATOM 159 CB VAL A 16 2.421 8.481 3.949 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.160 9.701 3.421 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.251 8.123 3.045 1.00 0.00 C ATOM 0 H VAL A 16 5.168 8.019 4.903 1.00 0.00 H new ATOM 0 HA VAL A 16 2.807 6.394 4.338 1.00 0.00 H new ATOM 0 HB VAL A 16 2.026 8.724 4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.465 10.536 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.960 9.968 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.585 9.474 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.582 8.980 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.624 7.853 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.707 7.280 3.471 1.00 0.00 H new ATOM 171 N GLN A 17 3.640 6.072 2.003 1.00 0.00 N ATOM 172 CA GLN A 17 4.236 5.759 0.710 1.00 0.00 C ATOM 173 C GLN A 17 3.162 5.585 -0.358 1.00 0.00 C ATOM 174 O GLN A 17 2.205 4.834 -0.172 1.00 0.00 O ATOM 175 CB GLN A 17 5.083 4.489 0.810 1.00 0.00 C ATOM 176 CG GLN A 17 6.516 4.746 1.247 1.00 0.00 C ATOM 177 CD GLN A 17 7.234 5.732 0.347 1.00 0.00 C ATOM 178 OE1 GLN A 17 6.918 5.852 -0.838 1.00 0.00 O ATOM 179 NE2 GLN A 17 8.206 6.445 0.904 1.00 0.00 N ATOM 0 H GLN A 17 2.859 5.470 2.265 1.00 0.00 H new ATOM 0 HA GLN A 17 4.876 6.593 0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.614 3.804 1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.091 3.991 -0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.517 5.125 2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.063 3.803 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.435 6.313 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.724 7.124 0.347 1.00 0.00 H new ATOM 188 N GLU A 18 3.326 6.286 -1.476 1.00 0.00 N ATOM 189 CA GLU A 18 2.368 6.209 -2.572 1.00 0.00 C ATOM 190 C GLU A 18 2.906 5.338 -3.704 1.00 0.00 C ATOM 191 O GLU A 18 4.048 5.497 -4.134 1.00 0.00 O ATOM 192 CB GLU A 18 2.049 7.610 -3.099 1.00 0.00 C ATOM 193 CG GLU A 18 1.252 8.460 -2.124 1.00 0.00 C ATOM 194 CD GLU A 18 0.969 9.851 -2.658 1.00 0.00 C ATOM 195 OE1 GLU A 18 0.487 9.958 -3.805 1.00 0.00 O ATOM 196 OE2 GLU A 18 1.230 10.831 -1.930 1.00 0.00 O ATOM 0 H GLU A 18 4.113 6.913 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 18 1.453 5.755 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.982 8.121 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.490 7.520 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.309 7.962 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.800 8.540 -1.185 1.00 0.00 H new ATOM 203 N ILE A 19 2.074 4.419 -4.181 1.00 0.00 N ATOM 204 CA ILE A 19 2.465 3.523 -5.263 1.00 0.00 C ATOM 205 C ILE A 19 1.370 3.428 -6.321 1.00 0.00 C ATOM 206 O ILE A 19 0.182 3.416 -5.999 1.00 0.00 O ATOM 207 CB ILE A 19 2.780 2.110 -4.738 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.977 1.824 -3.467 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.271 1.964 -4.473 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.676 2.260 -2.199 1.00 0.00 C ATOM 0 H ILE A 19 1.125 4.275 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 19 3.365 3.944 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 19 2.493 1.383 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.014 2.330 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.772 0.755 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.478 0.960 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.823 2.130 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.582 2.697 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.049 2.026 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.627 1.734 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.857 3.334 -2.234 1.00 0.00 H new ATOM 222 N MET A 20 1.779 3.359 -7.583 1.00 0.00 N ATOM 223 CA MET A 20 0.833 3.261 -8.688 1.00 0.00 C ATOM 224 C MET A 20 0.294 1.840 -8.818 1.00 0.00 C ATOM 225 O MET A 20 1.059 0.887 -8.969 1.00 0.00 O ATOM 226 CB MET A 20 1.500 3.688 -9.998 1.00 0.00 C ATOM 227 CG MET A 20 2.814 2.974 -10.271 1.00 0.00 C ATOM 228 SD MET A 20 3.378 3.185 -11.971 1.00 0.00 S ATOM 229 CE MET A 20 2.142 2.238 -12.858 1.00 0.00 C ATOM 0 H MET A 20 2.759 3.369 -7.866 1.00 0.00 H new ATOM 0 HA MET A 20 -0.002 3.930 -8.479 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.814 3.499 -10.824 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.678 4.763 -9.972 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.577 3.351 -9.590 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.696 1.911 -10.060 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.634 1.498 -13.489 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.491 1.732 -12.145 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.548 2.907 -13.480 1.00 0.00 H new ATOM 239 N ILE A 21 -1.027 1.706 -8.759 1.00 0.00 N ATOM 240 CA ILE A 21 -1.667 0.401 -8.870 1.00 0.00 C ATOM 241 C ILE A 21 -2.605 0.350 -10.072 1.00 0.00 C ATOM 242 O ILE A 21 -3.406 1.256 -10.305 1.00 0.00 O ATOM 243 CB ILE A 21 -2.462 0.053 -7.598 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.692 0.496 -6.352 1.00 0.00 C ATOM 245 CG2 ILE A 21 -2.752 -1.439 -7.546 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.483 -0.363 -6.053 1.00 0.00 C ATOM 0 H ILE A 21 -1.674 2.485 -8.635 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.870 -0.331 -9.002 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.412 0.587 -7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.371 1.529 -6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.363 0.476 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.314 -1.669 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.337 -1.727 -8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.813 -1.992 -7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.015 0.008 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.800 -1.393 -5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.208 -0.324 -6.895 1.00 0.00 H new ATOM 258 N PRO A 22 -2.507 -0.735 -10.854 1.00 0.00 N ATOM 259 CA PRO A 22 -3.340 -0.932 -12.043 1.00 0.00 C ATOM 260 C PRO A 22 -4.800 -1.198 -11.691 1.00 0.00 C ATOM 261 O PRO A 22 -5.101 -2.048 -10.855 1.00 0.00 O ATOM 262 CB PRO A 22 -2.719 -2.161 -12.712 1.00 0.00 C ATOM 263 CG PRO A 22 -2.055 -2.901 -11.602 1.00 0.00 C ATOM 264 CD PRO A 22 -1.574 -1.854 -10.636 1.00 0.00 C ATOM 0 HA PRO A 22 -3.358 -0.047 -12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.479 -2.774 -13.198 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.002 -1.873 -13.481 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.751 -3.587 -11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.224 -3.500 -11.974 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.608 -2.211 -9.607 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.543 -1.563 -10.839 1.00 0.00 H new ATOM 272 N ALA A 23 -5.702 -0.464 -12.335 1.00 0.00 N ATOM 273 CA ALA A 23 -7.130 -0.623 -12.091 1.00 0.00 C ATOM 274 C ALA A 23 -7.573 -2.061 -12.337 1.00 0.00 C ATOM 275 O ALA A 23 -8.673 -2.456 -11.953 1.00 0.00 O ATOM 276 CB ALA A 23 -7.924 0.333 -12.969 1.00 0.00 C ATOM 0 H ALA A 23 -5.469 0.246 -13.029 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.323 -0.385 -11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.989 0.204 -12.777 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.636 1.360 -12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.716 0.121 -14.018 1.00 0.00 H new ATOM 282 N SER A 24 -6.708 -2.840 -12.979 1.00 0.00 N ATOM 283 CA SER A 24 -7.012 -4.234 -13.280 1.00 0.00 C ATOM 284 C SER A 24 -6.815 -5.111 -12.047 1.00 0.00 C ATOM 285 O SER A 24 -7.719 -5.840 -11.638 1.00 0.00 O ATOM 286 CB SER A 24 -6.128 -4.736 -14.423 1.00 0.00 C ATOM 287 OG SER A 24 -6.620 -4.299 -15.678 1.00 0.00 O ATOM 0 H SER A 24 -5.791 -2.529 -13.301 1.00 0.00 H new ATOM 0 HA SER A 24 -8.057 -4.295 -13.585 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.109 -4.376 -14.283 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.087 -5.825 -14.404 1.00 0.00 H new ATOM 0 HG SER A 24 -6.037 -4.632 -16.392 1.00 0.00 H new ATOM 293 N LYS A 25 -5.626 -5.035 -11.458 1.00 0.00 N ATOM 294 CA LYS A 25 -5.308 -5.820 -10.271 1.00 0.00 C ATOM 295 C LYS A 25 -5.873 -5.162 -9.017 1.00 0.00 C ATOM 296 O LYS A 25 -5.908 -5.770 -7.948 1.00 0.00 O ATOM 297 CB LYS A 25 -3.793 -5.985 -10.135 1.00 0.00 C ATOM 298 CG LYS A 25 -3.124 -6.519 -11.390 1.00 0.00 C ATOM 299 CD LYS A 25 -3.089 -8.038 -11.400 1.00 0.00 C ATOM 300 CE LYS A 25 -2.426 -8.573 -12.660 1.00 0.00 C ATOM 301 NZ LYS A 25 -2.774 -9.999 -12.908 1.00 0.00 N ATOM 0 H LYS A 25 -4.866 -4.437 -11.784 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.766 -6.803 -10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.352 -5.021 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.583 -6.660 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.659 -6.161 -12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.108 -6.130 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.549 -8.396 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.105 -8.427 -11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.732 -7.971 -13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.344 -8.473 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.928 -10.590 -12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.511 -10.298 -12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.127 -10.106 -13.880 1.00 0.00 H new ATOM 315 N ALA A 26 -6.315 -3.916 -9.155 1.00 0.00 N ATOM 316 CA ALA A 26 -6.882 -3.177 -8.033 1.00 0.00 C ATOM 317 C ALA A 26 -8.074 -3.916 -7.436 1.00 0.00 C ATOM 318 O ALA A 26 -8.174 -4.072 -6.220 1.00 0.00 O ATOM 319 CB ALA A 26 -7.291 -1.780 -8.475 1.00 0.00 C ATOM 0 H ALA A 26 -6.291 -3.397 -10.033 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.117 -3.092 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.713 -1.239 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.417 -1.246 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.037 -1.853 -9.267 1.00 0.00 H new ATOM 325 N GLY A 27 -8.978 -4.369 -8.300 1.00 0.00 N ATOM 326 CA GLY A 27 -10.152 -5.086 -7.838 1.00 0.00 C ATOM 327 C GLY A 27 -9.806 -6.418 -7.203 1.00 0.00 C ATOM 328 O GLY A 27 -10.643 -7.037 -6.545 1.00 0.00 O ATOM 0 H GLY A 27 -8.918 -4.252 -9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.688 -4.471 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.826 -5.252 -8.678 1.00 0.00 H new ATOM 332 N LEU A 28 -8.570 -6.863 -7.402 1.00 0.00 N ATOM 333 CA LEU A 28 -8.115 -8.132 -6.845 1.00 0.00 C ATOM 334 C LEU A 28 -7.561 -7.942 -5.437 1.00 0.00 C ATOM 335 O LEU A 28 -7.892 -8.696 -4.522 1.00 0.00 O ATOM 336 CB LEU A 28 -7.046 -8.753 -7.747 1.00 0.00 C ATOM 337 CG LEU A 28 -7.553 -9.429 -9.021 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.606 -8.433 -10.169 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.670 -10.615 -9.383 1.00 0.00 C ATOM 0 H LEU A 28 -7.865 -6.364 -7.945 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.971 -8.804 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.340 -7.972 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.491 -9.489 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.563 -9.795 -8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.969 -8.932 -11.067 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.279 -7.616 -9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.608 -8.036 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.046 -11.084 -10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.649 -10.271 -9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.683 -11.340 -8.569 1.00 0.00 H new ATOM 351 N VAL A 29 -6.719 -6.928 -5.270 1.00 0.00 N ATOM 352 CA VAL A 29 -6.121 -6.636 -3.972 1.00 0.00 C ATOM 353 C VAL A 29 -7.093 -5.872 -3.080 1.00 0.00 C ATOM 354 O VAL A 29 -7.025 -5.960 -1.853 1.00 0.00 O ATOM 355 CB VAL A 29 -4.826 -5.816 -4.122 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.062 -4.601 -5.006 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.299 -5.399 -2.758 1.00 0.00 C ATOM 0 H VAL A 29 -6.435 -6.294 -6.017 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.883 -7.594 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.073 -6.442 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.136 -4.034 -5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.390 -4.927 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.830 -3.970 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.384 -4.821 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.047 -4.790 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.088 -6.287 -2.162 1.00 0.00 H new ATOM 367 N ILE A 30 -7.996 -5.123 -3.703 1.00 0.00 N ATOM 368 CA ILE A 30 -8.983 -4.344 -2.965 1.00 0.00 C ATOM 369 C ILE A 30 -10.209 -5.186 -2.630 1.00 0.00 C ATOM 370 O ILE A 30 -10.774 -5.074 -1.543 1.00 0.00 O ATOM 371 CB ILE A 30 -9.428 -3.102 -3.759 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.238 -2.171 -4.001 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.538 -2.370 -3.019 1.00 0.00 C ATOM 374 CD1 ILE A 30 -8.615 -0.873 -4.681 1.00 0.00 C ATOM 0 H ILE A 30 -8.065 -5.039 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.503 -4.021 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.814 -3.426 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.762 -1.947 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.499 -2.690 -4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.842 -1.494 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.392 -3.036 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.176 -2.055 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.723 -0.263 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.064 -1.087 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.331 -0.332 -4.062 1.00 0.00 H new ATOM 386 N GLY A 31 -10.615 -6.032 -3.572 1.00 0.00 N ATOM 387 CA GLY A 31 -11.770 -6.883 -3.358 1.00 0.00 C ATOM 388 C GLY A 31 -13.065 -6.222 -3.789 1.00 0.00 C ATOM 389 O GLY A 31 -13.058 -5.295 -4.599 1.00 0.00 O ATOM 0 H GLY A 31 -10.164 -6.143 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.639 -7.814 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.833 -7.145 -2.302 1.00 0.00 H new ATOM 393 N LYS A 32 -14.180 -6.701 -3.249 1.00 0.00 N ATOM 394 CA LYS A 32 -15.489 -6.152 -3.582 1.00 0.00 C ATOM 395 C LYS A 32 -15.946 -5.155 -2.522 1.00 0.00 C ATOM 396 O LYS A 32 -17.060 -5.248 -2.007 1.00 0.00 O ATOM 397 CB LYS A 32 -16.518 -7.277 -3.716 1.00 0.00 C ATOM 398 CG LYS A 32 -16.172 -8.292 -4.792 1.00 0.00 C ATOM 399 CD LYS A 32 -16.390 -7.724 -6.185 1.00 0.00 C ATOM 400 CE LYS A 32 -16.256 -8.800 -7.252 1.00 0.00 C ATOM 401 NZ LYS A 32 -14.831 -9.068 -7.593 1.00 0.00 N ATOM 0 H LYS A 32 -14.203 -7.469 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.404 -5.630 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.609 -7.791 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.493 -6.842 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.132 -8.600 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.784 -9.184 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.380 -7.272 -6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.666 -6.931 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.725 -9.720 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.792 -8.491 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.782 -9.807 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.390 -8.197 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.325 -9.388 -6.743 1.00 0.00 H new ATOM 415 N GLY A 33 -15.080 -4.199 -2.202 1.00 0.00 N ATOM 416 CA GLY A 33 -15.414 -3.197 -1.206 1.00 0.00 C ATOM 417 C GLY A 33 -14.407 -3.146 -0.075 1.00 0.00 C ATOM 418 O GLY A 33 -14.766 -2.891 1.074 1.00 0.00 O ATOM 0 H GLY A 33 -14.152 -4.100 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.469 -2.219 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.403 -3.409 -0.799 1.00 0.00 H new ATOM 422 N GLY A 34 -13.141 -3.391 -0.399 1.00 0.00 N ATOM 423 CA GLY A 34 -12.098 -3.368 0.610 1.00 0.00 C ATOM 424 C GLY A 34 -12.194 -4.538 1.569 1.00 0.00 C ATOM 425 O GLY A 34 -12.169 -4.355 2.786 1.00 0.00 O ATOM 0 H GLY A 34 -12.819 -3.605 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.124 -3.381 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.160 -2.436 1.171 1.00 0.00 H new ATOM 429 N GLU A 35 -12.306 -5.744 1.020 1.00 0.00 N ATOM 430 CA GLU A 35 -12.409 -6.948 1.836 1.00 0.00 C ATOM 431 C GLU A 35 -11.034 -7.568 2.066 1.00 0.00 C ATOM 432 O GLU A 35 -10.758 -8.116 3.134 1.00 0.00 O ATOM 433 CB GLU A 35 -13.335 -7.966 1.168 1.00 0.00 C ATOM 434 CG GLU A 35 -14.794 -7.815 1.566 1.00 0.00 C ATOM 435 CD GLU A 35 -15.412 -6.534 1.042 1.00 0.00 C ATOM 436 OE1 GLU A 35 -15.879 -6.529 -0.116 1.00 0.00 O ATOM 437 OE2 GLU A 35 -15.429 -5.534 1.791 1.00 0.00 O ATOM 0 H GLU A 35 -12.328 -5.913 0.014 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.828 -6.667 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.250 -7.866 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.000 -8.971 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.359 -8.667 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.874 -7.835 2.653 1.00 0.00 H new ATOM 444 N THR A 36 -10.175 -7.479 1.056 1.00 0.00 N ATOM 445 CA THR A 36 -8.830 -8.033 1.146 1.00 0.00 C ATOM 446 C THR A 36 -7.837 -6.988 1.643 1.00 0.00 C ATOM 447 O THR A 36 -7.162 -7.190 2.652 1.00 0.00 O ATOM 448 CB THR A 36 -8.352 -8.572 -0.215 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.245 -9.590 -0.680 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.943 -9.137 -0.109 1.00 0.00 C ATOM 0 H THR A 36 -10.387 -7.028 0.166 1.00 0.00 H new ATOM 0 HA THR A 36 -8.875 -8.856 1.859 1.00 0.00 H new ATOM 0 HB THR A 36 -8.343 -7.745 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.935 -9.926 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.627 -9.512 -1.083 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.260 -8.353 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.931 -9.952 0.615 1.00 0.00 H new ATOM 458 N ILE A 37 -7.754 -5.871 0.928 1.00 0.00 N ATOM 459 CA ILE A 37 -6.845 -4.793 1.298 1.00 0.00 C ATOM 460 C ILE A 37 -6.973 -4.450 2.779 1.00 0.00 C ATOM 461 O ILE A 37 -6.023 -3.978 3.403 1.00 0.00 O ATOM 462 CB ILE A 37 -7.106 -3.525 0.464 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.263 -2.361 0.989 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.585 -3.169 0.491 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.337 -1.123 0.123 1.00 0.00 C ATOM 0 H ILE A 37 -8.305 -5.689 0.089 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.835 -5.149 1.096 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.818 -3.721 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.593 -2.110 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.224 -2.681 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.754 -2.271 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.165 -3.993 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.897 -2.988 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.716 -0.339 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.979 -1.358 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.370 -0.779 0.068 1.00 0.00 H new ATOM 477 N LYS A 38 -8.155 -4.692 3.336 1.00 0.00 N ATOM 478 CA LYS A 38 -8.408 -4.412 4.745 1.00 0.00 C ATOM 479 C LYS A 38 -7.581 -5.330 5.639 1.00 0.00 C ATOM 480 O LYS A 38 -7.110 -4.918 6.699 1.00 0.00 O ATOM 481 CB LYS A 38 -9.896 -4.582 5.060 1.00 0.00 C ATOM 482 CG LYS A 38 -10.371 -3.734 6.227 1.00 0.00 C ATOM 483 CD LYS A 38 -11.712 -4.215 6.756 1.00 0.00 C ATOM 484 CE LYS A 38 -12.052 -3.564 8.088 1.00 0.00 C ATOM 485 NZ LYS A 38 -12.787 -2.282 7.907 1.00 0.00 N ATOM 0 H LYS A 38 -8.953 -5.081 2.834 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.116 -3.381 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.478 -4.325 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.095 -5.631 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.631 -3.766 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.455 -2.694 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.493 -3.989 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.690 -5.298 6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.657 -4.248 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.135 -3.381 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.000 -1.870 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.200 -1.619 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.675 -2.460 7.396 1.00 0.00 H new ATOM 499 N GLN A 39 -7.407 -6.574 5.204 1.00 0.00 N ATOM 500 CA GLN A 39 -6.635 -7.548 5.966 1.00 0.00 C ATOM 501 C GLN A 39 -5.139 -7.307 5.801 1.00 0.00 C ATOM 502 O GLN A 39 -4.353 -7.565 6.714 1.00 0.00 O ATOM 503 CB GLN A 39 -6.987 -8.969 5.522 1.00 0.00 C ATOM 504 CG GLN A 39 -8.349 -9.439 6.007 1.00 0.00 C ATOM 505 CD GLN A 39 -8.557 -9.193 7.489 1.00 0.00 C ATOM 506 OE1 GLN A 39 -7.679 -9.470 8.305 1.00 0.00 O ATOM 507 NE2 GLN A 39 -9.725 -8.669 7.844 1.00 0.00 N ATOM 0 H GLN A 39 -7.790 -6.931 4.329 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.889 -7.431 7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.962 -9.017 4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.223 -9.655 5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.128 -8.925 5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.457 -10.504 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.425 -8.455 7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.922 -8.481 8.827 1.00 0.00 H new ATOM 516 N LEU A 40 -4.750 -6.811 4.631 1.00 0.00 N ATOM 517 CA LEU A 40 -3.347 -6.535 4.345 1.00 0.00 C ATOM 518 C LEU A 40 -2.787 -5.500 5.316 1.00 0.00 C ATOM 519 O LEU A 40 -1.578 -5.437 5.541 1.00 0.00 O ATOM 520 CB LEU A 40 -3.187 -6.040 2.907 1.00 0.00 C ATOM 521 CG LEU A 40 -3.231 -7.114 1.819 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.345 -6.476 0.443 1.00 0.00 C ATOM 523 CD2 LEU A 40 -1.999 -8.003 1.896 1.00 0.00 C ATOM 0 H LEU A 40 -5.387 -6.592 3.865 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.787 -7.462 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.974 -5.313 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.237 -5.511 2.829 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.112 -7.734 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.375 -7.256 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.258 -5.883 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.484 -5.831 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.048 -8.761 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.104 -7.397 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.961 -8.489 2.871 1.00 0.00 H new ATOM 535 N GLN A 41 -3.673 -4.694 5.889 1.00 0.00 N ATOM 536 CA GLN A 41 -3.267 -3.663 6.837 1.00 0.00 C ATOM 537 C GLN A 41 -2.727 -4.286 8.120 1.00 0.00 C ATOM 538 O GLN A 41 -1.864 -3.713 8.784 1.00 0.00 O ATOM 539 CB GLN A 41 -4.446 -2.743 7.160 1.00 0.00 C ATOM 540 CG GLN A 41 -4.919 -1.921 5.972 1.00 0.00 C ATOM 541 CD GLN A 41 -6.157 -1.104 6.284 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.489 -0.878 7.448 1.00 0.00 O ATOM 543 NE2 GLN A 41 -6.849 -0.657 5.243 1.00 0.00 N ATOM 0 H GLN A 41 -4.677 -4.734 5.714 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.473 -3.075 6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.276 -3.346 7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.160 -2.069 7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.118 -1.253 5.655 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.129 -2.587 5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.537 -0.868 4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.692 -0.102 5.391 1.00 0.00 H new ATOM 552 N GLU A 42 -3.242 -5.463 8.464 1.00 0.00 N ATOM 553 CA GLU A 42 -2.811 -6.162 9.668 1.00 0.00 C ATOM 554 C GLU A 42 -1.561 -6.994 9.397 1.00 0.00 C ATOM 555 O GLU A 42 -0.614 -6.986 10.184 1.00 0.00 O ATOM 556 CB GLU A 42 -3.933 -7.062 10.191 1.00 0.00 C ATOM 557 CG GLU A 42 -5.177 -6.300 10.614 1.00 0.00 C ATOM 558 CD GLU A 42 -6.228 -7.199 11.236 1.00 0.00 C ATOM 559 OE1 GLU A 42 -6.485 -8.286 10.677 1.00 0.00 O ATOM 560 OE2 GLU A 42 -6.795 -6.816 12.281 1.00 0.00 O ATOM 0 H GLU A 42 -3.958 -5.951 7.926 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.571 -5.415 10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.203 -7.780 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.562 -7.635 11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.899 -5.525 11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.603 -5.796 9.746 1.00 0.00 H new ATOM 567 N ARG A 43 -1.567 -7.712 8.278 1.00 0.00 N ATOM 568 CA ARG A 43 -0.435 -8.551 7.903 1.00 0.00 C ATOM 569 C ARG A 43 0.865 -7.754 7.930 1.00 0.00 C ATOM 570 O ARG A 43 1.938 -8.305 8.178 1.00 0.00 O ATOM 571 CB ARG A 43 -0.653 -9.145 6.511 1.00 0.00 C ATOM 572 CG ARG A 43 -1.464 -10.431 6.517 1.00 0.00 C ATOM 573 CD ARG A 43 -1.649 -10.980 5.110 1.00 0.00 C ATOM 574 NE ARG A 43 -2.768 -11.914 5.030 1.00 0.00 N ATOM 575 CZ ARG A 43 -2.722 -13.157 5.496 1.00 0.00 C ATOM 576 NH1 ARG A 43 -1.618 -13.612 6.074 1.00 0.00 N ATOM 577 NH2 ARG A 43 -3.782 -13.948 5.386 1.00 0.00 N ATOM 0 H ARG A 43 -2.343 -7.729 7.616 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.359 -9.361 8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.160 -8.409 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.317 -9.339 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.963 -11.175 7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.439 -10.245 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.816 -10.155 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.735 -11.482 4.794 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.632 -11.595 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.802 -13.007 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.586 -14.567 6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.633 -13.602 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.746 -14.902 5.744 1.00 0.00 H new ATOM 591 N ALA A 44 0.762 -6.454 7.674 1.00 0.00 N ATOM 592 CA ALA A 44 1.929 -5.581 7.670 1.00 0.00 C ATOM 593 C ALA A 44 1.856 -4.561 8.802 1.00 0.00 C ATOM 594 O ALA A 44 2.880 -4.090 9.293 1.00 0.00 O ATOM 595 CB ALA A 44 2.055 -4.874 6.329 1.00 0.00 C ATOM 0 H ALA A 44 -0.118 -5.982 7.467 1.00 0.00 H new ATOM 0 HA ALA A 44 2.813 -6.198 7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.931 -4.225 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.162 -5.614 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.162 -4.275 6.148 1.00 0.00 H new ATOM 601 N GLY A 45 0.636 -4.225 9.211 1.00 0.00 N ATOM 602 CA GLY A 45 0.452 -3.263 10.282 1.00 0.00 C ATOM 603 C GLY A 45 0.467 -1.831 9.784 1.00 0.00 C ATOM 604 O GLY A 45 1.182 -0.986 10.323 1.00 0.00 O ATOM 0 H GLY A 45 -0.227 -4.602 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.495 -3.460 10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.240 -3.395 11.024 1.00 0.00 H new ATOM 608 N VAL A 46 -0.323 -1.557 8.750 1.00 0.00 N ATOM 609 CA VAL A 46 -0.397 -0.218 8.179 1.00 0.00 C ATOM 610 C VAL A 46 -1.754 0.026 7.527 1.00 0.00 C ATOM 611 O VAL A 46 -2.433 -0.912 7.109 1.00 0.00 O ATOM 612 CB VAL A 46 0.711 0.008 7.133 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.083 -0.058 7.786 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.597 -1.010 6.008 1.00 0.00 C ATOM 0 H VAL A 46 -0.920 -2.245 8.291 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.259 0.485 9.000 1.00 0.00 H new ATOM 0 HB VAL A 46 0.586 1.003 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.853 0.104 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.158 0.713 8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.222 -1.038 8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.387 -0.836 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.695 -2.016 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.374 -0.909 5.523 1.00 0.00 H new ATOM 624 N LYS A 47 -2.143 1.294 7.443 1.00 0.00 N ATOM 625 CA LYS A 47 -3.418 1.665 6.840 1.00 0.00 C ATOM 626 C LYS A 47 -3.266 1.889 5.339 1.00 0.00 C ATOM 627 O LYS A 47 -2.496 2.746 4.906 1.00 0.00 O ATOM 628 CB LYS A 47 -3.970 2.929 7.503 1.00 0.00 C ATOM 629 CG LYS A 47 -5.488 2.994 7.519 1.00 0.00 C ATOM 630 CD LYS A 47 -5.983 4.398 7.820 1.00 0.00 C ATOM 631 CE LYS A 47 -6.109 5.229 6.552 1.00 0.00 C ATOM 632 NZ LYS A 47 -6.338 6.669 6.853 1.00 0.00 N ATOM 0 H LYS A 47 -1.593 2.082 7.785 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.118 0.845 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.602 2.982 8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.583 3.803 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.877 2.669 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.875 2.303 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.951 4.345 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.295 4.887 8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.202 5.122 5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.933 4.849 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.418 7.201 5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.216 6.774 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.539 7.039 7.407 1.00 0.00 H new ATOM 646 N MET A 48 -4.005 1.116 4.551 1.00 0.00 N ATOM 647 CA MET A 48 -3.953 1.233 3.099 1.00 0.00 C ATOM 648 C MET A 48 -5.151 2.019 2.574 1.00 0.00 C ATOM 649 O MET A 48 -6.300 1.627 2.775 1.00 0.00 O ATOM 650 CB MET A 48 -3.917 -0.154 2.454 1.00 0.00 C ATOM 651 CG MET A 48 -2.547 -0.810 2.502 1.00 0.00 C ATOM 652 SD MET A 48 -2.579 -2.525 1.945 1.00 0.00 S ATOM 653 CE MET A 48 -1.117 -3.171 2.755 1.00 0.00 C ATOM 0 H MET A 48 -4.647 0.402 4.894 1.00 0.00 H new ATOM 0 HA MET A 48 -3.043 1.772 2.836 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.638 -0.799 2.957 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.235 -0.071 1.415 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.855 -0.243 1.880 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.165 -0.770 3.522 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.642 -3.912 2.112 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.418 -2.357 2.947 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.400 -3.637 3.699 1.00 0.00 H new ATOM 663 N VAL A 49 -4.873 3.131 1.900 1.00 0.00 N ATOM 664 CA VAL A 49 -5.928 3.972 1.346 1.00 0.00 C ATOM 665 C VAL A 49 -5.704 4.225 -0.141 1.00 0.00 C ATOM 666 O VAL A 49 -4.756 4.908 -0.529 1.00 0.00 O ATOM 667 CB VAL A 49 -6.011 5.324 2.079 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.017 6.240 1.397 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.374 5.115 3.541 1.00 0.00 C ATOM 0 H VAL A 49 -3.927 3.470 1.725 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.867 3.435 1.483 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.032 5.802 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.062 7.191 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.709 6.415 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.001 5.771 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.428 6.080 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.341 4.616 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.613 4.499 4.020 1.00 0.00 H new ATOM 679 N MET A 50 -6.584 3.671 -0.969 1.00 0.00 N ATOM 680 CA MET A 50 -6.483 3.839 -2.414 1.00 0.00 C ATOM 681 C MET A 50 -6.985 5.215 -2.838 1.00 0.00 C ATOM 682 O MET A 50 -8.143 5.563 -2.603 1.00 0.00 O ATOM 683 CB MET A 50 -7.281 2.748 -3.132 1.00 0.00 C ATOM 684 CG MET A 50 -6.613 1.384 -3.097 1.00 0.00 C ATOM 685 SD MET A 50 -5.528 1.105 -4.510 1.00 0.00 S ATOM 686 CE MET A 50 -5.019 -0.587 -4.217 1.00 0.00 C ATOM 0 H MET A 50 -7.374 3.102 -0.664 1.00 0.00 H new ATOM 0 HA MET A 50 -5.433 3.754 -2.692 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.268 2.672 -2.676 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.431 3.043 -4.170 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.036 1.290 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.379 0.609 -3.074 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.966 -0.700 -4.474 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.164 -0.834 -3.165 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.617 -1.259 -4.833 1.00 0.00 H new ATOM 696 N ILE A 51 -6.108 5.993 -3.462 1.00 0.00 N ATOM 697 CA ILE A 51 -6.463 7.331 -3.919 1.00 0.00 C ATOM 698 C ILE A 51 -6.890 7.317 -5.383 1.00 0.00 C ATOM 699 O ILE A 51 -6.062 7.157 -6.279 1.00 0.00 O ATOM 700 CB ILE A 51 -5.291 8.315 -3.747 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.612 8.102 -2.392 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.779 9.750 -3.881 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.438 8.585 -1.221 1.00 0.00 C ATOM 0 H ILE A 51 -5.146 5.720 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.298 7.663 -3.303 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.560 8.126 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.400 7.041 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.654 8.621 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.939 10.433 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.221 9.893 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.528 9.953 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.896 8.403 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.628 9.653 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.386 8.048 -1.198 1.00 0.00 H new ATOM 715 N GLN A 52 -8.187 7.487 -5.618 1.00 0.00 N ATOM 716 CA GLN A 52 -8.723 7.495 -6.974 1.00 0.00 C ATOM 717 C GLN A 52 -8.906 8.922 -7.478 1.00 0.00 C ATOM 718 O GLN A 52 -9.992 9.493 -7.376 1.00 0.00 O ATOM 719 CB GLN A 52 -10.058 6.750 -7.021 1.00 0.00 C ATOM 720 CG GLN A 52 -10.879 6.890 -5.749 1.00 0.00 C ATOM 721 CD GLN A 52 -12.228 6.206 -5.847 1.00 0.00 C ATOM 722 OE1 GLN A 52 -12.562 5.347 -5.031 1.00 0.00 O ATOM 723 NE2 GLN A 52 -13.013 6.584 -6.849 1.00 0.00 N ATOM 0 H GLN A 52 -8.886 7.621 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.009 6.988 -7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.642 7.121 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.868 5.693 -7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.322 6.468 -4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.027 7.948 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.696 7.300 -7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.933 6.158 -6.965 1.00 0.00 H new ATOM 732 N ASP A 53 -7.838 9.493 -8.023 1.00 0.00 N ATOM 733 CA ASP A 53 -7.880 10.855 -8.545 1.00 0.00 C ATOM 734 C ASP A 53 -7.347 10.906 -9.973 1.00 0.00 C ATOM 735 O ASP A 53 -6.576 10.043 -10.390 1.00 0.00 O ATOM 736 CB ASP A 53 -7.068 11.792 -7.650 1.00 0.00 C ATOM 737 CG ASP A 53 -7.512 13.237 -7.771 1.00 0.00 C ATOM 738 OD1 ASP A 53 -8.725 13.471 -7.953 1.00 0.00 O ATOM 739 OD2 ASP A 53 -6.647 14.132 -7.683 1.00 0.00 O ATOM 0 H ASP A 53 -6.932 9.034 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.919 11.183 -8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.163 11.471 -6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.013 11.716 -7.912 1.00 0.00 H new ATOM 744 N GLY A 54 -7.766 11.924 -10.720 1.00 0.00 N ATOM 745 CA GLY A 54 -7.322 12.068 -12.094 1.00 0.00 C ATOM 746 C GLY A 54 -8.114 11.201 -13.053 1.00 0.00 C ATOM 747 O GLY A 54 -8.904 10.350 -12.646 1.00 0.00 O ATOM 0 H GLY A 54 -8.405 12.651 -10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.412 13.112 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.266 11.807 -12.161 1.00 0.00 H new ATOM 751 N PRO A 55 -7.905 11.416 -14.360 1.00 0.00 N ATOM 752 CA PRO A 55 -8.597 10.659 -15.407 1.00 0.00 C ATOM 753 C PRO A 55 -8.137 9.206 -15.472 1.00 0.00 C ATOM 754 O PRO A 55 -7.013 8.884 -15.086 1.00 0.00 O ATOM 755 CB PRO A 55 -8.214 11.398 -16.692 1.00 0.00 C ATOM 756 CG PRO A 55 -6.917 12.058 -16.377 1.00 0.00 C ATOM 757 CD PRO A 55 -6.976 12.414 -14.917 1.00 0.00 C ATOM 0 HA PRO A 55 -9.672 10.610 -15.231 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.114 10.709 -17.530 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.973 12.129 -16.969 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.080 11.391 -16.582 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.773 12.948 -16.990 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.994 12.354 -14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.340 13.430 -14.766 1.00 0.00 H new ATOM 765 N GLN A 56 -9.012 8.334 -15.962 1.00 0.00 N ATOM 766 CA GLN A 56 -8.694 6.916 -16.077 1.00 0.00 C ATOM 767 C GLN A 56 -8.311 6.558 -17.509 1.00 0.00 C ATOM 768 O GLN A 56 -7.658 5.544 -17.752 1.00 0.00 O ATOM 769 CB GLN A 56 -9.885 6.067 -15.628 1.00 0.00 C ATOM 770 CG GLN A 56 -11.174 6.389 -16.365 1.00 0.00 C ATOM 771 CD GLN A 56 -12.255 5.352 -16.131 1.00 0.00 C ATOM 772 OE1 GLN A 56 -11.991 4.272 -15.603 1.00 0.00 O ATOM 773 NE2 GLN A 56 -13.481 5.676 -16.525 1.00 0.00 N ATOM 0 H GLN A 56 -9.946 8.585 -16.286 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.842 6.707 -15.430 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.646 5.014 -15.775 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.041 6.212 -14.559 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.537 7.365 -16.044 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -10.969 6.460 -17.433 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.654 6.583 -16.958 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.249 5.018 -16.394 1.00 0.00 H new ATOM 782 N ASN A 57 -8.721 7.398 -18.454 1.00 0.00 N ATOM 783 CA ASN A 57 -8.421 7.169 -19.863 1.00 0.00 C ATOM 784 C ASN A 57 -6.919 7.246 -20.119 1.00 0.00 C ATOM 785 O ASN A 57 -6.296 6.266 -20.529 1.00 0.00 O ATOM 786 CB ASN A 57 -9.152 8.193 -20.734 1.00 0.00 C ATOM 787 CG ASN A 57 -10.656 8.004 -20.710 1.00 0.00 C ATOM 788 OD1 ASN A 57 -11.162 6.924 -21.016 1.00 0.00 O ATOM 789 ND2 ASN A 57 -11.379 9.057 -20.345 1.00 0.00 N ATOM 0 H ASN A 57 -9.262 8.243 -18.270 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.765 6.168 -20.124 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.909 9.198 -20.389 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.795 8.113 -21.761 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.396 8.990 -20.310 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.917 9.933 -20.100 1.00 0.00 H new ATOM 796 N THR A 58 -6.342 8.418 -19.873 1.00 0.00 N ATOM 797 CA THR A 58 -4.914 8.624 -20.077 1.00 0.00 C ATOM 798 C THR A 58 -4.103 8.027 -18.933 1.00 0.00 C ATOM 799 O THR A 58 -3.051 7.427 -19.152 1.00 0.00 O ATOM 800 CB THR A 58 -4.575 10.121 -20.204 1.00 0.00 C ATOM 801 OG1 THR A 58 -3.193 10.284 -20.541 1.00 0.00 O ATOM 802 CG2 THR A 58 -4.875 10.856 -18.907 1.00 0.00 C ATOM 0 H THR A 58 -6.842 9.239 -19.532 1.00 0.00 H new ATOM 0 HA THR A 58 -4.652 8.119 -21.007 1.00 0.00 H new ATOM 0 HB THR A 58 -5.194 10.544 -20.995 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.986 11.239 -20.621 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.628 11.911 -19.021 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.934 10.755 -18.668 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.279 10.429 -18.100 1.00 0.00 H new ATOM 810 N GLY A 59 -4.600 8.193 -17.711 1.00 0.00 N ATOM 811 CA GLY A 59 -3.909 7.663 -16.550 1.00 0.00 C ATOM 812 C GLY A 59 -3.792 6.153 -16.585 1.00 0.00 C ATOM 813 O GLY A 59 -2.701 5.612 -16.763 1.00 0.00 O ATOM 0 H GLY A 59 -5.469 8.685 -17.504 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.912 8.100 -16.493 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.440 7.962 -15.647 1.00 0.00 H new ATOM 817 N ALA A 60 -4.919 5.469 -16.412 1.00 0.00 N ATOM 818 CA ALA A 60 -4.938 4.012 -16.424 1.00 0.00 C ATOM 819 C ALA A 60 -4.227 3.443 -15.201 1.00 0.00 C ATOM 820 O ALA A 60 -3.581 2.398 -15.276 1.00 0.00 O ATOM 821 CB ALA A 60 -4.298 3.486 -17.701 1.00 0.00 C ATOM 0 H ALA A 60 -5.831 5.901 -16.262 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.978 3.687 -16.391 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.319 2.396 -17.696 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.851 3.856 -18.564 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.265 3.829 -17.758 1.00 0.00 H new ATOM 827 N ASP A 61 -4.350 4.138 -14.075 1.00 0.00 N ATOM 828 CA ASP A 61 -3.720 3.701 -12.835 1.00 0.00 C ATOM 829 C ASP A 61 -4.343 4.403 -11.632 1.00 0.00 C ATOM 830 O ASP A 61 -5.026 5.417 -11.776 1.00 0.00 O ATOM 831 CB ASP A 61 -2.216 3.976 -12.878 1.00 0.00 C ATOM 832 CG ASP A 61 -1.900 5.412 -13.249 1.00 0.00 C ATOM 833 OD1 ASP A 61 -2.403 5.880 -14.291 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.150 6.067 -12.496 1.00 0.00 O ATOM 0 H ASP A 61 -4.880 5.006 -13.996 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.883 2.628 -12.732 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.781 3.751 -11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.748 3.306 -13.599 1.00 0.00 H new ATOM 839 N LYS A 62 -4.104 3.856 -10.445 1.00 0.00 N ATOM 840 CA LYS A 62 -4.641 4.428 -9.216 1.00 0.00 C ATOM 841 C LYS A 62 -3.567 4.503 -8.136 1.00 0.00 C ATOM 842 O LYS A 62 -3.041 3.489 -7.677 1.00 0.00 O ATOM 843 CB LYS A 62 -5.824 3.595 -8.716 1.00 0.00 C ATOM 844 CG LYS A 62 -6.855 3.296 -9.791 1.00 0.00 C ATOM 845 CD LYS A 62 -7.919 4.379 -9.860 1.00 0.00 C ATOM 846 CE LYS A 62 -9.157 3.897 -10.601 1.00 0.00 C ATOM 847 NZ LYS A 62 -10.067 3.120 -9.714 1.00 0.00 N ATOM 0 H LYS A 62 -3.541 3.016 -10.308 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.983 5.440 -9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.450 2.654 -8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.309 4.124 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.359 3.210 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.326 2.334 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.194 4.685 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.513 5.258 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.692 4.754 -11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.856 3.277 -11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.898 2.809 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.564 2.288 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.375 3.719 -8.922 1.00 0.00 H new ATOM 861 N PRO A 63 -3.232 5.733 -7.718 1.00 0.00 N ATOM 862 CA PRO A 63 -2.219 5.970 -6.685 1.00 0.00 C ATOM 863 C PRO A 63 -2.683 5.520 -5.304 1.00 0.00 C ATOM 864 O PRO A 63 -3.578 6.123 -4.711 1.00 0.00 O ATOM 865 CB PRO A 63 -2.028 7.488 -6.717 1.00 0.00 C ATOM 866 CG PRO A 63 -3.313 8.020 -7.251 1.00 0.00 C ATOM 867 CD PRO A 63 -3.818 6.987 -8.220 1.00 0.00 C ATOM 0 HA PRO A 63 -1.305 5.408 -6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.819 7.882 -5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.189 7.768 -7.353 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.031 8.185 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.162 8.979 -7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.907 6.945 -8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.497 7.201 -9.239 1.00 0.00 H new ATOM 875 N LEU A 64 -2.068 4.457 -4.796 1.00 0.00 N ATOM 876 CA LEU A 64 -2.418 3.926 -3.483 1.00 0.00 C ATOM 877 C LEU A 64 -1.549 4.548 -2.395 1.00 0.00 C ATOM 878 O LEU A 64 -0.321 4.511 -2.471 1.00 0.00 O ATOM 879 CB LEU A 64 -2.263 2.404 -3.468 1.00 0.00 C ATOM 880 CG LEU A 64 -2.034 1.766 -2.098 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.272 1.914 -1.227 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.659 0.299 -2.248 1.00 0.00 C ATOM 0 H LEU A 64 -1.325 3.946 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.458 4.181 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.158 1.963 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.427 2.138 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.207 2.284 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.091 1.454 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.497 2.972 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.117 1.422 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.500 -0.138 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.464 -0.232 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.744 0.215 -2.834 1.00 0.00 H new ATOM 894 N ARG A 65 -2.194 5.118 -1.382 1.00 0.00 N ATOM 895 CA ARG A 65 -1.480 5.747 -0.278 1.00 0.00 C ATOM 896 C ARG A 65 -1.376 4.798 0.913 1.00 0.00 C ATOM 897 O ARG A 65 -2.384 4.443 1.526 1.00 0.00 O ATOM 898 CB ARG A 65 -2.185 7.037 0.144 1.00 0.00 C ATOM 899 CG ARG A 65 -1.299 7.983 0.938 1.00 0.00 C ATOM 900 CD ARG A 65 -2.048 9.245 1.336 1.00 0.00 C ATOM 901 NE ARG A 65 -1.142 10.358 1.606 1.00 0.00 N ATOM 902 CZ ARG A 65 -1.538 11.525 2.101 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.818 11.732 2.378 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.653 12.490 2.319 1.00 0.00 N ATOM 0 H ARG A 65 -3.210 5.157 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.473 5.986 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.546 7.552 -0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.060 6.784 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.935 7.478 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.425 8.249 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.737 9.524 0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.650 9.045 2.222 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.150 10.232 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.502 10.994 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.119 12.629 2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.333 12.336 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.959 13.386 2.699 1.00 0.00 H new ATOM 918 N ILE A 66 -0.153 4.392 1.233 1.00 0.00 N ATOM 919 CA ILE A 66 0.082 3.485 2.351 1.00 0.00 C ATOM 920 C ILE A 66 0.626 4.235 3.562 1.00 0.00 C ATOM 921 O ILE A 66 1.809 4.572 3.619 1.00 0.00 O ATOM 922 CB ILE A 66 1.069 2.366 1.969 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.469 1.478 0.877 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.429 1.538 3.194 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.239 0.196 0.650 1.00 0.00 C ATOM 0 H ILE A 66 0.691 4.676 0.735 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.880 3.040 2.604 1.00 0.00 H new ATOM 0 HB ILE A 66 1.980 2.821 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.559 1.233 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.431 2.040 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.127 0.751 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.892 2.180 3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.526 1.089 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.757 -0.383 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.260 0.433 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.255 -0.387 1.571 1.00 0.00 H new ATOM 937 N THR A 67 -0.247 4.493 4.532 1.00 0.00 N ATOM 938 CA THR A 67 0.145 5.202 5.743 1.00 0.00 C ATOM 939 C THR A 67 0.395 4.232 6.892 1.00 0.00 C ATOM 940 O THR A 67 -0.156 3.132 6.920 1.00 0.00 O ATOM 941 CB THR A 67 -0.930 6.220 6.171 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.233 5.720 5.849 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.711 7.559 5.483 1.00 0.00 C ATOM 0 H THR A 67 -1.230 4.221 4.502 1.00 0.00 H new ATOM 0 HA THR A 67 1.068 5.734 5.513 1.00 0.00 H new ATOM 0 HB THR A 67 -0.853 6.366 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.911 6.372 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.482 8.261 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.270 7.950 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.764 7.426 4.402 1.00 0.00 H new ATOM 951 N GLY A 68 1.230 4.647 7.840 1.00 0.00 N ATOM 952 CA GLY A 68 1.538 3.802 8.978 1.00 0.00 C ATOM 953 C GLY A 68 2.885 4.127 9.594 1.00 0.00 C ATOM 954 O GLY A 68 3.063 5.190 10.188 1.00 0.00 O ATOM 0 H GLY A 68 1.698 5.553 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.760 3.916 9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.528 2.758 8.665 1.00 0.00 H new ATOM 958 N ASP A 69 3.835 3.209 9.454 1.00 0.00 N ATOM 959 CA ASP A 69 5.172 3.403 10.002 1.00 0.00 C ATOM 960 C ASP A 69 6.223 3.363 8.897 1.00 0.00 C ATOM 961 O ASP A 69 5.990 2.848 7.803 1.00 0.00 O ATOM 962 CB ASP A 69 5.477 2.332 11.052 1.00 0.00 C ATOM 963 CG ASP A 69 5.095 2.769 12.452 1.00 0.00 C ATOM 964 OD1 ASP A 69 3.882 2.878 12.730 1.00 0.00 O ATOM 965 OD2 ASP A 69 6.008 3.002 13.271 1.00 0.00 O ATOM 0 H ASP A 69 3.704 2.323 8.966 1.00 0.00 H new ATOM 0 HA ASP A 69 5.205 4.384 10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.940 1.417 10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.540 2.094 11.026 1.00 0.00 H new ATOM 970 N PRO A 70 7.408 3.920 9.187 1.00 0.00 N ATOM 971 CA PRO A 70 8.518 3.961 8.230 1.00 0.00 C ATOM 972 C PRO A 70 9.118 2.582 7.978 1.00 0.00 C ATOM 973 O PRO A 70 9.634 2.308 6.895 1.00 0.00 O ATOM 974 CB PRO A 70 9.541 4.872 8.913 1.00 0.00 C ATOM 975 CG PRO A 70 9.243 4.754 10.368 1.00 0.00 C ATOM 976 CD PRO A 70 7.756 4.552 10.470 1.00 0.00 C ATOM 0 HA PRO A 70 8.198 4.315 7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.561 4.558 8.691 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.443 5.902 8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.782 3.916 10.810 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.553 5.651 10.904 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.494 3.916 11.315 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.231 5.497 10.608 1.00 0.00 H new ATOM 984 N TYR A 71 9.046 1.718 8.985 1.00 0.00 N ATOM 985 CA TYR A 71 9.583 0.367 8.872 1.00 0.00 C ATOM 986 C TYR A 71 8.507 -0.611 8.414 1.00 0.00 C ATOM 987 O TYR A 71 8.808 -1.691 7.905 1.00 0.00 O ATOM 988 CB TYR A 71 10.163 -0.086 10.213 1.00 0.00 C ATOM 989 CG TYR A 71 10.831 -1.442 10.156 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.077 -2.607 10.086 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.215 -1.557 10.172 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.683 -3.848 10.035 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.830 -2.794 10.120 1.00 0.00 C ATOM 994 CZ TYR A 71 12.059 -3.936 10.052 1.00 0.00 C ATOM 995 OH TYR A 71 12.667 -5.169 10.000 1.00 0.00 O ATOM 0 H TYR A 71 8.621 1.929 9.888 1.00 0.00 H new ATOM 0 HA TYR A 71 10.377 0.380 8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.888 0.653 10.554 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.364 -0.115 10.954 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.999 -2.542 10.071 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.821 -0.665 10.226 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.082 -4.744 9.982 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.908 -2.866 10.133 1.00 0.00 H new ATOM 0 HH TYR A 71 13.640 -5.055 10.020 1.00 0.00 H new ATOM 1005 N LYS A 72 7.249 -0.225 8.597 1.00 0.00 N ATOM 1006 CA LYS A 72 6.124 -1.065 8.202 1.00 0.00 C ATOM 1007 C LYS A 72 5.643 -0.705 6.800 1.00 0.00 C ATOM 1008 O LYS A 72 5.560 -1.563 5.921 1.00 0.00 O ATOM 1009 CB LYS A 72 4.975 -0.918 9.201 1.00 0.00 C ATOM 1010 CG LYS A 72 5.337 -1.347 10.612 1.00 0.00 C ATOM 1011 CD LYS A 72 4.137 -1.924 11.345 1.00 0.00 C ATOM 1012 CE LYS A 72 4.553 -3.006 12.330 1.00 0.00 C ATOM 1013 NZ LYS A 72 4.528 -4.360 11.710 1.00 0.00 N ATOM 0 H LYS A 72 6.982 0.665 9.017 1.00 0.00 H new ATOM 0 HA LYS A 72 6.461 -2.102 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.651 0.123 9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.127 -1.510 8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.133 -2.090 10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.725 -0.492 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.616 -1.127 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.433 -2.339 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.556 -2.794 12.700 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.886 -2.989 13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.116 -5.041 12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.952 -4.335 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.498 -4.651 11.473 1.00 0.00 H new ATOM 1027 N VAL A 73 5.327 0.570 6.597 1.00 0.00 N ATOM 1028 CA VAL A 73 4.856 1.045 5.301 1.00 0.00 C ATOM 1029 C VAL A 73 5.729 0.511 4.171 1.00 0.00 C ATOM 1030 O VAL A 73 5.237 0.211 3.084 1.00 0.00 O ATOM 1031 CB VAL A 73 4.839 2.583 5.239 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.684 3.058 3.802 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.727 3.139 6.116 1.00 0.00 C ATOM 0 H VAL A 73 5.389 1.293 7.314 1.00 0.00 H new ATOM 0 HA VAL A 73 3.839 0.673 5.178 1.00 0.00 H new ATOM 0 HB VAL A 73 5.791 2.955 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.674 4.148 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.518 2.690 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.748 2.678 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.730 4.228 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.766 2.760 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.888 2.828 7.148 1.00 0.00 H new ATOM 1043 N GLN A 74 7.026 0.396 4.436 1.00 0.00 N ATOM 1044 CA GLN A 74 7.967 -0.102 3.440 1.00 0.00 C ATOM 1045 C GLN A 74 7.736 -1.584 3.165 1.00 0.00 C ATOM 1046 O GLN A 74 7.973 -2.063 2.056 1.00 0.00 O ATOM 1047 CB GLN A 74 9.406 0.124 3.909 1.00 0.00 C ATOM 1048 CG GLN A 74 9.708 -0.494 5.264 1.00 0.00 C ATOM 1049 CD GLN A 74 11.165 -0.881 5.418 1.00 0.00 C ATOM 1050 OE1 GLN A 74 11.980 -0.642 4.526 1.00 0.00 O ATOM 1051 NE2 GLN A 74 11.502 -1.481 6.553 1.00 0.00 N ATOM 0 H GLN A 74 7.449 0.641 5.331 1.00 0.00 H new ATOM 0 HA GLN A 74 7.803 0.450 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.090 -0.291 3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.600 1.196 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.439 0.213 6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.085 -1.377 5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.794 -1.659 7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.469 -1.764 6.713 1.00 0.00 H new ATOM 1060 N GLN A 75 7.274 -2.304 4.182 1.00 0.00 N ATOM 1061 CA GLN A 75 7.013 -3.732 4.049 1.00 0.00 C ATOM 1062 C GLN A 75 5.691 -3.979 3.330 1.00 0.00 C ATOM 1063 O GLN A 75 5.635 -4.719 2.349 1.00 0.00 O ATOM 1064 CB GLN A 75 6.991 -4.399 5.426 1.00 0.00 C ATOM 1065 CG GLN A 75 8.323 -4.332 6.155 1.00 0.00 C ATOM 1066 CD GLN A 75 9.427 -5.070 5.423 1.00 0.00 C ATOM 1067 OE1 GLN A 75 9.637 -6.265 5.635 1.00 0.00 O ATOM 1068 NE2 GLN A 75 10.139 -4.362 4.555 1.00 0.00 N ATOM 0 H GLN A 75 7.073 -1.922 5.106 1.00 0.00 H new ATOM 0 HA GLN A 75 7.816 -4.168 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.226 -3.923 6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.702 -5.443 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.611 -3.288 6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.208 -4.755 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.931 -3.374 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.894 -4.806 4.033 1.00 0.00 H new ATOM 1077 N ALA A 76 4.627 -3.355 3.827 1.00 0.00 N ATOM 1078 CA ALA A 76 3.306 -3.506 3.232 1.00 0.00 C ATOM 1079 C ALA A 76 3.336 -3.188 1.740 1.00 0.00 C ATOM 1080 O ALA A 76 2.697 -3.868 0.937 1.00 0.00 O ATOM 1081 CB ALA A 76 2.301 -2.612 3.944 1.00 0.00 C ATOM 0 H ALA A 76 4.655 -2.740 4.640 1.00 0.00 H new ATOM 0 HA ALA A 76 2.999 -4.545 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.318 -2.735 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.250 -2.888 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.614 -1.571 3.856 1.00 0.00 H new ATOM 1087 N LYS A 77 4.081 -2.150 1.377 1.00 0.00 N ATOM 1088 CA LYS A 77 4.195 -1.741 -0.018 1.00 0.00 C ATOM 1089 C LYS A 77 4.534 -2.932 -0.908 1.00 0.00 C ATOM 1090 O LYS A 77 3.900 -3.147 -1.941 1.00 0.00 O ATOM 1091 CB LYS A 77 5.266 -0.658 -0.168 1.00 0.00 C ATOM 1092 CG LYS A 77 5.746 -0.470 -1.597 1.00 0.00 C ATOM 1093 CD LYS A 77 7.003 0.382 -1.655 1.00 0.00 C ATOM 1094 CE LYS A 77 8.258 -0.467 -1.525 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.633 -1.104 -2.818 1.00 0.00 N ATOM 0 H LYS A 77 4.615 -1.576 2.030 1.00 0.00 H new ATOM 0 HA LYS A 77 3.232 -1.337 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.868 0.288 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.118 -0.912 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.944 -1.443 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.959 -0.000 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.029 0.930 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.979 1.123 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.082 0.154 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.098 -1.239 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.696 -2.134 -2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.911 -0.886 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.554 -0.737 -3.132 1.00 0.00 H new ATOM 1109 N GLU A 78 5.537 -3.704 -0.500 1.00 0.00 N ATOM 1110 CA GLU A 78 5.958 -4.874 -1.262 1.00 0.00 C ATOM 1111 C GLU A 78 4.831 -5.898 -1.354 1.00 0.00 C ATOM 1112 O GLU A 78 4.613 -6.504 -2.402 1.00 0.00 O ATOM 1113 CB GLU A 78 7.191 -5.512 -0.618 1.00 0.00 C ATOM 1114 CG GLU A 78 8.409 -4.605 -0.604 1.00 0.00 C ATOM 1115 CD GLU A 78 9.256 -4.746 -1.853 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.476 -5.894 -2.294 1.00 0.00 O ATOM 1117 OE2 GLU A 78 9.700 -3.710 -2.390 1.00 0.00 O ATOM 0 H GLU A 78 6.072 -3.540 0.353 1.00 0.00 H new ATOM 0 HA GLU A 78 6.211 -4.547 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.949 -5.797 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.437 -6.428 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.085 -3.569 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.018 -4.834 0.271 1.00 0.00 H new ATOM 1124 N MET A 79 4.118 -6.086 -0.248 1.00 0.00 N ATOM 1125 CA MET A 79 3.013 -7.036 -0.204 1.00 0.00 C ATOM 1126 C MET A 79 1.983 -6.722 -1.284 1.00 0.00 C ATOM 1127 O MET A 79 1.534 -7.613 -2.005 1.00 0.00 O ATOM 1128 CB MET A 79 2.347 -7.013 1.174 1.00 0.00 C ATOM 1129 CG MET A 79 3.012 -7.933 2.185 1.00 0.00 C ATOM 1130 SD MET A 79 2.587 -7.517 3.887 1.00 0.00 S ATOM 1131 CE MET A 79 0.798 -7.536 3.804 1.00 0.00 C ATOM 0 H MET A 79 4.286 -5.593 0.629 1.00 0.00 H new ATOM 0 HA MET A 79 3.415 -8.032 -0.389 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.361 -5.993 1.558 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.301 -7.299 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.717 -8.963 1.982 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.094 -7.881 2.062 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.386 -7.331 4.792 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.458 -6.773 3.104 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.460 -8.515 3.466 1.00 0.00 H new ATOM 1141 N VAL A 80 1.611 -5.450 -1.390 1.00 0.00 N ATOM 1142 CA VAL A 80 0.635 -5.019 -2.383 1.00 0.00 C ATOM 1143 C VAL A 80 1.218 -5.082 -3.791 1.00 0.00 C ATOM 1144 O VAL A 80 0.637 -5.694 -4.688 1.00 0.00 O ATOM 1145 CB VAL A 80 0.147 -3.585 -2.105 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -1.085 -3.269 -2.939 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.141 -3.399 -0.623 1.00 0.00 C ATOM 0 H VAL A 80 1.971 -4.700 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.211 -5.703 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 80 0.937 -2.889 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.415 -2.252 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.841 -3.360 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.883 -3.968 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.485 -2.380 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.913 -4.102 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.768 -3.581 -0.050 1.00 0.00 H new ATOM 1157 N LEU A 81 2.369 -4.446 -3.977 1.00 0.00 N ATOM 1158 CA LEU A 81 3.033 -4.429 -5.276 1.00 0.00 C ATOM 1159 C LEU A 81 3.132 -5.836 -5.855 1.00 0.00 C ATOM 1160 O LEU A 81 2.962 -6.036 -7.057 1.00 0.00 O ATOM 1161 CB LEU A 81 4.429 -3.818 -5.149 1.00 0.00 C ATOM 1162 CG LEU A 81 4.499 -2.291 -5.180 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.864 -1.809 -4.716 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.195 -1.771 -6.578 1.00 0.00 C ATOM 0 H LEU A 81 2.862 -3.935 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 81 2.436 -3.818 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.871 -4.163 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.049 -4.207 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 81 3.746 -1.899 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.894 -0.720 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.043 -2.150 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.635 -2.211 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.249 -0.682 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.924 -2.173 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.194 -2.085 -6.873 1.00 0.00 H new ATOM 1176 N GLU A 82 3.405 -6.809 -4.991 1.00 0.00 N ATOM 1177 CA GLU A 82 3.525 -8.198 -5.417 1.00 0.00 C ATOM 1178 C GLU A 82 2.155 -8.789 -5.738 1.00 0.00 C ATOM 1179 O GLU A 82 2.025 -9.644 -6.615 1.00 0.00 O ATOM 1180 CB GLU A 82 4.211 -9.031 -4.332 1.00 0.00 C ATOM 1181 CG GLU A 82 4.550 -10.445 -4.773 1.00 0.00 C ATOM 1182 CD GLU A 82 5.547 -11.120 -3.851 1.00 0.00 C ATOM 1183 OE1 GLU A 82 6.754 -10.820 -3.960 1.00 0.00 O ATOM 1184 OE2 GLU A 82 5.119 -11.949 -3.021 1.00 0.00 O ATOM 0 H GLU A 82 3.547 -6.661 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 82 4.133 -8.222 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.127 -8.527 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.562 -9.078 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.637 -11.039 -4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.956 -10.419 -5.784 1.00 0.00 H new ATOM 1191 N LEU A 83 1.137 -8.328 -5.020 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.224 -8.810 -5.226 1.00 0.00 C ATOM 1193 C LEU A 83 -0.698 -8.515 -6.646 1.00 0.00 C ATOM 1194 O LEU A 83 -1.476 -9.276 -7.222 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.174 -8.165 -4.215 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.510 -8.877 -4.001 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.259 -9.014 -5.317 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.292 -10.242 -3.364 1.00 0.00 C ATOM 0 H LEU A 83 1.228 -7.621 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.226 -9.890 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.662 -8.100 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.377 -7.144 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.115 -8.275 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.207 -9.523 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.449 -8.024 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.659 -9.593 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.254 -10.734 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.667 -10.852 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.799 -10.119 -2.400 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.221 -7.407 -7.204 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.593 -7.014 -8.557 1.00 0.00 C ATOM 1212 C ILE A 84 0.365 -7.606 -9.585 1.00 0.00 C ATOM 1213 O ILE A 84 0.063 -7.649 -10.778 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.612 -5.482 -8.713 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.803 -4.916 -8.576 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.540 -4.856 -7.682 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.019 -3.635 -9.352 1.00 0.00 C ATOM 0 H ILE A 84 0.423 -6.766 -6.740 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.596 -7.402 -8.733 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.987 -5.238 -9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.012 -4.732 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.519 -5.663 -8.917 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.543 -3.773 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.551 -5.240 -7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.192 -5.106 -6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.043 -3.291 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.842 -3.818 -10.412 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.327 -2.872 -8.995 1.00 0.00 H new ATOM 1229 N ARG A 85 1.520 -8.063 -9.114 1.00 0.00 N ATOM 1230 CA ARG A 85 2.523 -8.654 -9.992 1.00 0.00 C ATOM 1231 C ARG A 85 2.203 -10.119 -10.274 1.00 0.00 C ATOM 1232 O ARG A 85 1.314 -10.702 -9.653 1.00 0.00 O ATOM 1233 CB ARG A 85 3.914 -8.536 -9.366 1.00 0.00 C ATOM 1234 CG ARG A 85 4.614 -7.224 -9.680 1.00 0.00 C ATOM 1235 CD ARG A 85 6.106 -7.308 -9.399 1.00 0.00 C ATOM 1236 NE ARG A 85 6.744 -5.994 -9.428 1.00 0.00 N ATOM 1237 CZ ARG A 85 7.979 -5.767 -8.997 1.00 0.00 C ATOM 1238 NH1 ARG A 85 8.707 -6.761 -8.506 1.00 0.00 N ATOM 1239 NH2 ARG A 85 8.490 -4.544 -9.056 1.00 0.00 N ATOM 0 H ARG A 85 1.785 -8.036 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 85 2.510 -8.109 -10.936 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.827 -8.642 -8.285 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.533 -9.361 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.454 -6.966 -10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.175 -6.424 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.266 -7.767 -8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.578 -7.956 -10.137 1.00 0.00 H new ATOM 0 HE ARG A 85 6.211 -5.208 -9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.318 -7.703 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.656 -6.584 -8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.934 -3.777 -9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.439 -4.371 -8.724 1.00 0.00 H new ATOM 1253 N ASP A 86 2.934 -10.708 -11.215 1.00 0.00 N ATOM 1254 CA ASP A 86 2.728 -12.105 -11.579 1.00 0.00 C ATOM 1255 C ASP A 86 3.782 -12.566 -12.582 1.00 0.00 C ATOM 1256 O ASP A 86 4.617 -11.777 -13.024 1.00 0.00 O ATOM 1257 CB ASP A 86 1.329 -12.302 -12.164 1.00 0.00 C ATOM 1258 CG ASP A 86 0.820 -11.064 -12.876 1.00 0.00 C ATOM 1259 OD1 ASP A 86 1.405 -10.696 -13.917 1.00 0.00 O ATOM 1260 OD2 ASP A 86 -0.162 -10.462 -12.393 1.00 0.00 O ATOM 0 H ASP A 86 3.674 -10.240 -11.739 1.00 0.00 H new ATOM 0 HA ASP A 86 2.823 -12.708 -10.676 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.345 -13.139 -12.862 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.638 -12.568 -11.364 1.00 0.00 H new ATOM 1265 N GLN A 87 3.736 -13.846 -12.935 1.00 0.00 N ATOM 1266 CA GLN A 87 4.688 -14.411 -13.884 1.00 0.00 C ATOM 1267 C GLN A 87 4.457 -13.853 -15.284 1.00 0.00 C ATOM 1268 O GLN A 87 3.416 -14.093 -15.895 1.00 0.00 O ATOM 1269 CB GLN A 87 4.575 -15.936 -13.905 1.00 0.00 C ATOM 1270 CG GLN A 87 5.623 -16.612 -14.775 1.00 0.00 C ATOM 1271 CD GLN A 87 6.890 -16.943 -14.011 1.00 0.00 C ATOM 1272 OE1 GLN A 87 7.701 -16.063 -13.720 1.00 0.00 O ATOM 1273 NE2 GLN A 87 7.067 -18.217 -13.681 1.00 0.00 N ATOM 0 H GLN A 87 3.050 -14.511 -12.578 1.00 0.00 H new ATOM 0 HA GLN A 87 5.692 -14.132 -13.563 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.663 -16.313 -12.886 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.584 -16.214 -14.263 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.206 -17.528 -15.194 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.869 -15.961 -15.614 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.369 -18.913 -13.943 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.901 -18.499 -13.166 1.00 0.00 H new ATOM 1282 N GLY A 88 5.435 -13.106 -15.787 1.00 0.00 N ATOM 1283 CA GLY A 88 5.318 -12.524 -17.111 1.00 0.00 C ATOM 1284 C GLY A 88 6.380 -13.036 -18.065 1.00 0.00 C ATOM 1285 O GLY A 88 7.535 -12.614 -18.003 1.00 0.00 O ATOM 0 H GLY A 88 6.306 -12.894 -15.301 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.331 -12.747 -17.517 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.394 -11.439 -17.036 1.00 0.00 H new ATOM 1289 N SER A 89 5.990 -13.948 -18.948 1.00 0.00 N ATOM 1290 CA SER A 89 6.918 -14.523 -19.915 1.00 0.00 C ATOM 1291 C SER A 89 7.418 -13.458 -20.887 1.00 0.00 C ATOM 1292 O SER A 89 6.846 -13.260 -21.958 1.00 0.00 O ATOM 1293 CB SER A 89 6.245 -15.658 -20.688 1.00 0.00 C ATOM 1294 OG SER A 89 5.972 -16.761 -19.841 1.00 0.00 O ATOM 0 H SER A 89 5.037 -14.305 -19.014 1.00 0.00 H new ATOM 0 HA SER A 89 7.772 -14.922 -19.368 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.317 -15.299 -21.133 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.889 -15.976 -21.508 1.00 0.00 H new ATOM 0 HG SER A 89 5.540 -17.472 -20.359 1.00 0.00 H new ATOM 1300 N GLY A 90 8.491 -12.773 -20.503 1.00 0.00 N ATOM 1301 CA GLY A 90 9.052 -11.736 -21.351 1.00 0.00 C ATOM 1302 C GLY A 90 8.243 -10.455 -21.310 1.00 0.00 C ATOM 1303 O GLY A 90 7.025 -10.469 -21.129 1.00 0.00 O ATOM 0 H GLY A 90 8.982 -12.917 -19.621 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.074 -11.527 -21.036 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.102 -12.098 -22.378 1.00 0.00 H new ATOM 1307 N PRO A 91 8.927 -9.313 -21.480 1.00 0.00 N ATOM 1308 CA PRO A 91 8.284 -7.996 -21.464 1.00 0.00 C ATOM 1309 C PRO A 91 7.405 -7.766 -22.688 1.00 0.00 C ATOM 1310 O PRO A 91 7.648 -8.330 -23.755 1.00 0.00 O ATOM 1311 CB PRO A 91 9.467 -7.024 -21.465 1.00 0.00 C ATOM 1312 CG PRO A 91 10.582 -7.785 -22.097 1.00 0.00 C ATOM 1313 CD PRO A 91 10.380 -9.221 -21.700 1.00 0.00 C ATOM 0 HA PRO A 91 7.618 -7.878 -20.609 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.236 -6.120 -22.028 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.724 -6.712 -20.453 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.565 -7.674 -23.181 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.549 -7.418 -21.754 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.712 -9.904 -22.481 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.940 -9.471 -20.799 1.00 0.00 H new ATOM 1321 N SER A 92 6.382 -6.932 -22.528 1.00 0.00 N ATOM 1322 CA SER A 92 5.464 -6.630 -23.620 1.00 0.00 C ATOM 1323 C SER A 92 5.144 -5.139 -23.664 1.00 0.00 C ATOM 1324 O SER A 92 5.032 -4.486 -22.627 1.00 0.00 O ATOM 1325 CB SER A 92 4.172 -7.436 -23.466 1.00 0.00 C ATOM 1326 OG SER A 92 3.236 -7.095 -24.474 1.00 0.00 O ATOM 0 H SER A 92 6.168 -6.454 -21.653 1.00 0.00 H new ATOM 0 HA SER A 92 5.948 -6.908 -24.556 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.396 -8.502 -23.518 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.738 -7.249 -22.484 1.00 0.00 H new ATOM 0 HG SER A 92 2.420 -7.624 -24.355 1.00 0.00 H new ATOM 1332 N SER A 93 4.999 -4.607 -24.873 1.00 0.00 N ATOM 1333 CA SER A 93 4.696 -3.192 -25.055 1.00 0.00 C ATOM 1334 C SER A 93 4.111 -2.935 -26.440 1.00 0.00 C ATOM 1335 O SER A 93 4.795 -3.079 -27.452 1.00 0.00 O ATOM 1336 CB SER A 93 5.958 -2.349 -24.858 1.00 0.00 C ATOM 1337 OG SER A 93 5.649 -0.967 -24.828 1.00 0.00 O ATOM 0 H SER A 93 5.086 -5.134 -25.742 1.00 0.00 H new ATOM 0 HA SER A 93 3.956 -2.906 -24.308 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.449 -2.635 -23.928 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.663 -2.550 -25.665 1.00 0.00 H new ATOM 0 HG SER A 93 6.472 -0.451 -24.699 1.00 0.00 H new ATOM 1343 N GLY A 94 2.837 -2.553 -26.475 1.00 0.00 N ATOM 1344 CA GLY A 94 2.179 -2.282 -27.740 1.00 0.00 C ATOM 1345 C GLY A 94 2.964 -1.316 -28.606 1.00 0.00 C ATOM 1346 O GLY A 94 3.496 -0.322 -28.113 1.00 0.00 O ATOM 0 H GLY A 94 2.250 -2.427 -25.651 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.038 -3.218 -28.281 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.187 -1.871 -27.550 1.00 0.00 H new TER 1350 GLY A 94