USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= 0.173 K(o=0.69,f=-3) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 141:sc= 0.517 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 58 SER OG : rot 83:sc= 0.0923 USER MOD Single : A 63 ASN : amide:sc= 1.39 K(o=1.4,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 74 ASN : amide:sc= -0.213 K(o=-0.21,f=-0.98) USER MOD Single : A 77 ASN : amide:sc= -0.0902 X(o=-0.09,f=0) USER MOD Single : A 78 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.26) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 1.28 (180deg=0.597) USER MOD Single : A 82 ASN : amide:sc= -0.878 X(o=-0.88,f=-1.4) USER MOD Single : A 85 ASN : amide:sc= -0.074 K(o=-0.074,f=-1.2) USER MOD Single : A 87 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.036) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.0586 K(o=-0.059,f=-0.96) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 150:sc= -0.0112 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.762 F(o=-1.4,f=-0.76) USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= 0.222 (180deg=-0.418!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 148:sc= 0.756 (180deg=0.0466) USER MOD Single : A 107 GLN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 0.328 15.058 -3.871 1.00 0.00 N ATOM 2 CA GLY A 47 -0.782 14.413 -4.578 1.00 0.00 C ATOM 3 C GLY A 47 -0.303 13.235 -5.410 1.00 0.00 C ATOM 4 O GLY A 47 -0.424 13.271 -6.635 1.00 0.00 O ATOM 0 HA2 GLY A 47 -1.525 14.072 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.275 15.140 -5.224 1.00 0.00 H new ATOM 8 N GLU A 48 0.277 12.209 -4.788 1.00 0.00 N ATOM 9 CA GLU A 48 0.777 11.015 -5.464 1.00 0.00 C ATOM 10 C GLU A 48 0.966 9.893 -4.471 1.00 0.00 C ATOM 11 O GLU A 48 0.465 8.798 -4.692 1.00 0.00 O ATOM 12 CB GLU A 48 2.111 11.299 -6.161 1.00 0.00 C ATOM 13 CG GLU A 48 2.895 10.033 -6.524 1.00 0.00 C ATOM 14 CD GLU A 48 3.934 10.292 -7.605 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.788 11.195 -7.433 1.00 0.00 O ATOM 16 OE2 GLU A 48 3.923 9.556 -8.619 1.00 0.00 O ATOM 0 H GLU A 48 0.415 12.186 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 48 0.041 10.722 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.922 11.872 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.725 11.923 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.389 9.645 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.202 9.264 -6.865 1.00 0.00 H new ATOM 23 N VAL A 49 1.647 10.172 -3.362 1.00 0.00 N ATOM 24 CA VAL A 49 1.887 9.157 -2.342 1.00 0.00 C ATOM 25 C VAL A 49 0.566 8.508 -1.935 1.00 0.00 C ATOM 26 O VAL A 49 0.493 7.289 -1.887 1.00 0.00 O ATOM 27 CB VAL A 49 2.741 9.695 -1.191 1.00 0.00 C ATOM 28 CG1 VAL A 49 2.192 10.989 -0.590 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.992 8.616 -0.132 1.00 0.00 C ATOM 0 H VAL A 49 2.040 11.088 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 49 2.497 8.353 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 49 3.708 9.963 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.842 11.318 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.153 11.760 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.189 10.813 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.601 9.030 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.039 8.275 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.514 7.774 -0.587 1.00 0.00 H new ATOM 39 N ARG A 50 -0.500 9.280 -1.702 1.00 0.00 N ATOM 40 CA ARG A 50 -1.788 8.670 -1.343 1.00 0.00 C ATOM 41 C ARG A 50 -2.309 7.788 -2.477 1.00 0.00 C ATOM 42 O ARG A 50 -2.857 6.738 -2.185 1.00 0.00 O ATOM 43 CB ARG A 50 -2.838 9.697 -0.919 1.00 0.00 C ATOM 44 CG ARG A 50 -2.680 10.203 0.527 1.00 0.00 C ATOM 45 CD ARG A 50 -4.006 10.624 1.164 1.00 0.00 C ATOM 46 NE ARG A 50 -4.628 11.769 0.486 1.00 0.00 N ATOM 47 CZ ARG A 50 -5.929 11.913 0.206 1.00 0.00 C ATOM 48 NH1 ARG A 50 -6.798 10.929 0.402 1.00 0.00 N ATOM 49 NH2 ARG A 50 -6.350 13.079 -0.264 1.00 0.00 N ATOM 0 H ARG A 50 -0.502 10.299 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.602 8.043 -0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.791 10.549 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.828 9.255 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.226 9.419 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.994 11.050 0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.695 9.780 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.836 10.876 2.211 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.009 12.528 0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.480 10.035 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.784 11.067 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.687 13.841 -0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.337 13.214 -0.485 1.00 0.00 H new ATOM 63 N ASN A 51 -2.126 8.193 -3.737 1.00 0.00 N ATOM 64 CA ASN A 51 -2.561 7.440 -4.917 1.00 0.00 C ATOM 65 C ASN A 51 -1.898 6.076 -4.925 1.00 0.00 C ATOM 66 O ASN A 51 -2.574 5.050 -4.955 1.00 0.00 O ATOM 67 CB ASN A 51 -2.156 8.147 -6.229 1.00 0.00 C ATOM 68 CG ASN A 51 -3.299 8.293 -7.214 1.00 0.00 C ATOM 69 OD1 ASN A 51 -3.435 7.509 -8.142 1.00 0.00 O ATOM 70 ND2 ASN A 51 -4.109 9.321 -7.058 1.00 0.00 N ATOM 0 H ASN A 51 -1.662 9.071 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.647 7.361 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.761 9.135 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.349 7.586 -6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.870 9.476 -7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.975 9.962 -6.276 1.00 0.00 H new ATOM 77 N ILE A 52 -0.561 6.071 -4.871 1.00 0.00 N ATOM 78 CA ILE A 52 0.177 4.827 -4.911 1.00 0.00 C ATOM 79 C ILE A 52 -0.139 3.954 -3.704 1.00 0.00 C ATOM 80 O ILE A 52 -0.239 2.740 -3.845 1.00 0.00 O ATOM 81 CB ILE A 52 1.692 5.049 -5.096 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.376 3.723 -5.447 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.389 5.585 -3.844 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.613 3.931 -6.315 1.00 0.00 C ATOM 0 H ILE A 52 0.016 6.909 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.157 4.284 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 52 1.782 5.788 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.659 3.207 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.670 3.078 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.452 5.717 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.951 6.544 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.261 4.877 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.066 2.966 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.327 4.423 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.331 4.554 -5.782 1.00 0.00 H new ATOM 96 N VAL A 53 -0.278 4.566 -2.527 1.00 0.00 N ATOM 97 CA VAL A 53 -0.576 3.907 -1.273 1.00 0.00 C ATOM 98 C VAL A 53 -1.895 3.177 -1.462 1.00 0.00 C ATOM 99 O VAL A 53 -1.926 1.948 -1.391 1.00 0.00 O ATOM 100 CB VAL A 53 -0.567 4.984 -0.157 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.362 4.714 1.112 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.873 5.254 0.292 1.00 0.00 C ATOM 0 H VAL A 53 -0.180 5.576 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 53 0.157 3.160 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.062 5.822 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.256 5.558 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.414 4.580 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.986 3.810 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.874 6.011 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.313 4.334 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.458 5.609 -0.556 1.00 0.00 H new ATOM 112 N ASP A 54 -2.963 3.925 -1.713 1.00 0.00 N ATOM 113 CA ASP A 54 -4.331 3.474 -1.921 1.00 0.00 C ATOM 114 C ASP A 54 -4.384 2.312 -2.909 1.00 0.00 C ATOM 115 O ASP A 54 -4.892 1.235 -2.591 1.00 0.00 O ATOM 116 CB ASP A 54 -5.123 4.692 -2.407 1.00 0.00 C ATOM 117 CG ASP A 54 -6.581 4.399 -2.710 1.00 0.00 C ATOM 118 OD1 ASP A 54 -7.375 4.343 -1.744 1.00 0.00 O ATOM 119 OD2 ASP A 54 -6.956 4.369 -3.903 1.00 0.00 O ATOM 0 H ASP A 54 -2.888 4.940 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.767 3.089 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.070 5.473 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.648 5.087 -3.305 1.00 0.00 H new ATOM 124 N LYS A 55 -3.787 2.493 -4.084 1.00 0.00 N ATOM 125 CA LYS A 55 -3.757 1.492 -5.134 1.00 0.00 C ATOM 126 C LYS A 55 -3.011 0.260 -4.668 1.00 0.00 C ATOM 127 O LYS A 55 -3.546 -0.843 -4.808 1.00 0.00 O ATOM 128 CB LYS A 55 -3.156 2.113 -6.394 1.00 0.00 C ATOM 129 CG LYS A 55 -4.208 3.034 -7.021 1.00 0.00 C ATOM 130 CD LYS A 55 -3.639 3.790 -8.225 1.00 0.00 C ATOM 131 CE LYS A 55 -4.660 4.808 -8.743 1.00 0.00 C ATOM 132 NZ LYS A 55 -4.195 5.456 -9.986 1.00 0.00 N ATOM 0 H LYS A 55 -3.304 3.356 -4.333 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.767 1.162 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.256 2.676 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.863 1.335 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.070 2.445 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.561 3.746 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.718 4.300 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.382 3.086 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.612 4.310 -8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.838 5.566 -7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.998 5.578 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.787 6.386 -9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.472 4.861 -10.438 1.00 0.00 H new ATOM 146 N THR A 56 -1.803 0.415 -4.127 1.00 0.00 N ATOM 147 CA THR A 56 -1.040 -0.722 -3.642 1.00 0.00 C ATOM 148 C THR A 56 -1.838 -1.491 -2.582 1.00 0.00 C ATOM 149 O THR A 56 -1.830 -2.724 -2.611 1.00 0.00 O ATOM 150 CB THR A 56 0.324 -0.245 -3.121 1.00 0.00 C ATOM 151 OG1 THR A 56 0.987 0.417 -4.168 1.00 0.00 O ATOM 152 CG2 THR A 56 1.184 -1.429 -2.659 1.00 0.00 C ATOM 0 H THR A 56 -1.338 1.316 -4.016 1.00 0.00 H new ATOM 0 HA THR A 56 -0.855 -1.418 -4.461 1.00 0.00 H new ATOM 0 HB THR A 56 0.167 0.418 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.865 1.385 -4.073 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.144 -1.062 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.671 -1.960 -1.857 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.349 -2.107 -3.496 1.00 0.00 H new ATOM 160 N ALA A 57 -2.539 -0.795 -1.675 1.00 0.00 N ATOM 161 CA ALA A 57 -3.308 -1.476 -0.641 1.00 0.00 C ATOM 162 C ALA A 57 -4.367 -2.375 -1.262 1.00 0.00 C ATOM 163 O ALA A 57 -4.517 -3.483 -0.769 1.00 0.00 O ATOM 164 CB ALA A 57 -3.953 -0.510 0.345 1.00 0.00 C ATOM 0 H ALA A 57 -2.585 0.223 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.601 -2.086 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.513 -1.073 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.179 0.078 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.630 0.157 -0.189 1.00 0.00 H new ATOM 170 N SER A 58 -5.052 -1.950 -2.329 1.00 0.00 N ATOM 171 CA SER A 58 -6.071 -2.762 -2.981 1.00 0.00 C ATOM 172 C SER A 58 -5.500 -4.125 -3.372 1.00 0.00 C ATOM 173 O SER A 58 -5.999 -5.155 -2.938 1.00 0.00 O ATOM 174 CB SER A 58 -6.643 -2.044 -4.211 1.00 0.00 C ATOM 175 OG SER A 58 -7.728 -2.782 -4.746 1.00 0.00 O ATOM 0 H SER A 58 -4.912 -1.036 -2.760 1.00 0.00 H new ATOM 0 HA SER A 58 -6.885 -2.917 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.975 -1.043 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.866 -1.926 -4.966 1.00 0.00 H new ATOM 0 HG SER A 58 -8.545 -2.570 -4.248 1.00 0.00 H new ATOM 181 N PHE A 59 -4.415 -4.178 -4.143 1.00 0.00 N ATOM 182 CA PHE A 59 -3.873 -5.469 -4.551 1.00 0.00 C ATOM 183 C PHE A 59 -3.375 -6.295 -3.370 1.00 0.00 C ATOM 184 O PHE A 59 -3.558 -7.511 -3.361 1.00 0.00 O ATOM 185 CB PHE A 59 -2.756 -5.244 -5.563 1.00 0.00 C ATOM 186 CG PHE A 59 -2.494 -6.397 -6.512 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.443 -6.707 -7.503 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.309 -7.151 -6.427 1.00 0.00 C ATOM 189 CE1 PHE A 59 -3.214 -7.767 -8.397 1.00 0.00 C ATOM 190 CE2 PHE A 59 -1.071 -8.198 -7.336 1.00 0.00 C ATOM 191 CZ PHE A 59 -2.024 -8.507 -8.321 1.00 0.00 C ATOM 0 H PHE A 59 -3.906 -3.364 -4.489 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.678 -6.044 -5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.996 -4.359 -6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.836 -5.026 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.352 -6.128 -7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.581 -6.925 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.955 -8.012 -9.144 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.154 -8.765 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.841 -9.312 -9.018 1.00 0.00 H new ATOM 201 N VAL A 60 -2.750 -5.665 -2.375 1.00 0.00 N ATOM 202 CA VAL A 60 -2.249 -6.363 -1.195 1.00 0.00 C ATOM 203 C VAL A 60 -3.435 -6.876 -0.357 1.00 0.00 C ATOM 204 O VAL A 60 -3.328 -7.889 0.330 1.00 0.00 O ATOM 205 CB VAL A 60 -1.302 -5.416 -0.441 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.820 -6.022 0.875 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.050 -5.122 -1.289 1.00 0.00 C ATOM 0 H VAL A 60 -2.578 -4.660 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.671 -7.249 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.869 -4.506 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.153 -5.320 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.677 -6.229 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.285 -6.950 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.611 -4.450 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.474 -6.054 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.348 -4.653 -2.227 1.00 0.00 H new ATOM 217 N ALA A 61 -4.575 -6.198 -0.402 1.00 0.00 N ATOM 218 CA ALA A 61 -5.787 -6.571 0.295 1.00 0.00 C ATOM 219 C ALA A 61 -6.386 -7.777 -0.432 1.00 0.00 C ATOM 220 O ALA A 61 -6.737 -8.763 0.207 1.00 0.00 O ATOM 221 CB ALA A 61 -6.754 -5.376 0.250 1.00 0.00 C ATOM 0 H ALA A 61 -4.679 -5.342 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.594 -6.831 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.676 -5.635 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.292 -4.516 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.980 -5.129 -0.787 1.00 0.00 H new ATOM 227 N ARG A 62 -6.468 -7.706 -1.768 1.00 0.00 N ATOM 228 CA ARG A 62 -7.031 -8.753 -2.616 1.00 0.00 C ATOM 229 C ARG A 62 -6.237 -10.046 -2.566 1.00 0.00 C ATOM 230 O ARG A 62 -6.784 -11.123 -2.340 1.00 0.00 O ATOM 231 CB ARG A 62 -7.107 -8.246 -4.063 1.00 0.00 C ATOM 232 CG ARG A 62 -8.188 -7.174 -4.175 1.00 0.00 C ATOM 233 CD ARG A 62 -8.343 -6.680 -5.605 1.00 0.00 C ATOM 234 NE ARG A 62 -9.300 -5.563 -5.678 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.592 -5.644 -6.023 1.00 0.00 C ATOM 236 NH1 ARG A 62 -11.152 -6.807 -6.343 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.338 -4.550 -6.049 1.00 0.00 N ATOM 0 H ARG A 62 -6.136 -6.899 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.027 -8.980 -2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.143 -7.838 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.330 -9.073 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.138 -7.577 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.938 -6.335 -3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.375 -6.359 -5.989 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.684 -7.497 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.944 -4.636 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.596 -7.662 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.138 -6.844 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.929 -3.648 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.322 -4.610 -6.311 1.00 0.00 H new ATOM 251 N ASN A 63 -4.943 -9.937 -2.840 1.00 0.00 N ATOM 252 CA ASN A 63 -4.043 -11.080 -2.875 1.00 0.00 C ATOM 253 C ASN A 63 -3.639 -11.547 -1.484 1.00 0.00 C ATOM 254 O ASN A 63 -3.633 -12.751 -1.247 1.00 0.00 O ATOM 255 CB ASN A 63 -2.786 -10.785 -3.700 1.00 0.00 C ATOM 256 CG ASN A 63 -3.055 -10.543 -5.179 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.812 -11.394 -6.025 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.548 -9.370 -5.531 1.00 0.00 N ATOM 0 H ASN A 63 -4.487 -9.048 -3.045 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.603 -11.884 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.289 -9.909 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.094 -11.621 -3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.729 -9.167 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.748 -8.667 -4.820 1.00 0.00 H new ATOM 265 N GLY A 64 -3.294 -10.640 -0.566 1.00 0.00 N ATOM 266 CA GLY A 64 -2.896 -10.994 0.789 1.00 0.00 C ATOM 267 C GLY A 64 -1.635 -10.264 1.267 1.00 0.00 C ATOM 268 O GLY A 64 -0.957 -9.587 0.486 1.00 0.00 O ATOM 0 H GLY A 64 -3.285 -9.636 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.716 -10.769 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.725 -12.069 0.840 1.00 0.00 H new ATOM 272 N PRO A 65 -1.296 -10.416 2.560 1.00 0.00 N ATOM 273 CA PRO A 65 -0.146 -9.785 3.207 1.00 0.00 C ATOM 274 C PRO A 65 1.199 -10.172 2.593 1.00 0.00 C ATOM 275 O PRO A 65 2.158 -9.415 2.729 1.00 0.00 O ATOM 276 CB PRO A 65 -0.251 -10.171 4.688 1.00 0.00 C ATOM 277 CG PRO A 65 -1.092 -11.441 4.691 1.00 0.00 C ATOM 278 CD PRO A 65 -2.039 -11.211 3.524 1.00 0.00 C ATOM 0 HA PRO A 65 -0.175 -8.704 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.733 -10.345 5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.723 -9.381 5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.481 -12.333 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.629 -11.570 5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.358 -12.157 3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.940 -10.690 3.849 1.00 0.00 H new ATOM 286 N GLU A 66 1.283 -11.296 1.879 1.00 0.00 N ATOM 287 CA GLU A 66 2.519 -11.736 1.241 1.00 0.00 C ATOM 288 C GLU A 66 3.041 -10.681 0.262 1.00 0.00 C ATOM 289 O GLU A 66 4.252 -10.480 0.143 1.00 0.00 O ATOM 290 CB GLU A 66 2.288 -13.077 0.530 1.00 0.00 C ATOM 291 CG GLU A 66 1.115 -13.083 -0.481 1.00 0.00 C ATOM 292 CD GLU A 66 1.036 -14.342 -1.350 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.671 -15.367 -1.002 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.388 -14.280 -2.418 1.00 0.00 O ATOM 0 H GLU A 66 0.494 -11.925 1.728 1.00 0.00 H new ATOM 0 HA GLU A 66 3.279 -11.872 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.202 -13.356 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.105 -13.844 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.179 -12.975 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.207 -12.213 -1.131 1.00 0.00 H new ATOM 301 N PHE A 67 2.129 -9.996 -0.430 1.00 0.00 N ATOM 302 CA PHE A 67 2.499 -8.977 -1.388 1.00 0.00 C ATOM 303 C PHE A 67 3.026 -7.745 -0.683 1.00 0.00 C ATOM 304 O PHE A 67 3.864 -7.053 -1.251 1.00 0.00 O ATOM 305 CB PHE A 67 1.325 -8.634 -2.303 1.00 0.00 C ATOM 306 CG PHE A 67 1.314 -9.441 -3.577 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.172 -9.077 -4.629 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.461 -10.545 -3.715 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.146 -9.790 -5.840 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.403 -11.230 -4.941 1.00 0.00 C ATOM 311 CZ PHE A 67 1.243 -10.855 -6.004 1.00 0.00 C ATOM 0 H PHE A 67 1.123 -10.137 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 67 3.299 -9.372 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.392 -8.802 -1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.363 -7.573 -2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.853 -8.248 -4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.148 -10.867 -2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.817 -9.521 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.290 -12.048 -5.067 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.195 -11.384 -6.944 1.00 0.00 H new ATOM 321 N GLU A 68 2.555 -7.453 0.530 1.00 0.00 N ATOM 322 CA GLU A 68 3.027 -6.290 1.256 1.00 0.00 C ATOM 323 C GLU A 68 4.528 -6.417 1.482 1.00 0.00 C ATOM 324 O GLU A 68 5.259 -5.438 1.381 1.00 0.00 O ATOM 325 CB GLU A 68 2.309 -6.189 2.617 1.00 0.00 C ATOM 326 CG GLU A 68 2.503 -4.814 3.265 1.00 0.00 C ATOM 327 CD GLU A 68 1.742 -4.654 4.586 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.539 -4.991 4.658 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.346 -4.167 5.573 1.00 0.00 O ATOM 0 H GLU A 68 1.852 -8.006 1.021 1.00 0.00 H new ATOM 0 HA GLU A 68 2.814 -5.392 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.244 -6.379 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.688 -6.962 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.566 -4.651 3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.175 -4.042 2.569 1.00 0.00 H new ATOM 336 N ALA A 69 4.977 -7.631 1.797 1.00 0.00 N ATOM 337 CA ALA A 69 6.368 -7.921 2.048 1.00 0.00 C ATOM 338 C ALA A 69 7.174 -7.991 0.763 1.00 0.00 C ATOM 339 O ALA A 69 8.242 -7.390 0.685 1.00 0.00 O ATOM 340 CB ALA A 69 6.451 -9.265 2.769 1.00 0.00 C ATOM 0 H ALA A 69 4.368 -8.445 1.884 1.00 0.00 H new ATOM 0 HA ALA A 69 6.787 -7.118 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.495 -9.506 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.904 -9.207 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.013 -10.042 2.142 1.00 0.00 H new ATOM 346 N ARG A 70 6.686 -8.748 -0.224 1.00 0.00 N ATOM 347 CA ARG A 70 7.364 -8.918 -1.499 1.00 0.00 C ATOM 348 C ARG A 70 7.583 -7.581 -2.172 1.00 0.00 C ATOM 349 O ARG A 70 8.728 -7.209 -2.403 1.00 0.00 O ATOM 350 CB ARG A 70 6.583 -9.898 -2.376 1.00 0.00 C ATOM 351 CG ARG A 70 6.885 -11.337 -1.939 1.00 0.00 C ATOM 352 CD ARG A 70 5.785 -12.274 -2.416 1.00 0.00 C ATOM 353 NE ARG A 70 6.126 -13.692 -2.219 1.00 0.00 N ATOM 354 CZ ARG A 70 5.233 -14.686 -2.141 1.00 0.00 C ATOM 355 NH1 ARG A 70 3.942 -14.448 -2.319 1.00 0.00 N ATOM 356 NH2 ARG A 70 5.642 -15.914 -1.866 1.00 0.00 N ATOM 0 H ARG A 70 5.806 -9.259 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 70 8.352 -9.346 -1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.514 -9.700 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.855 -9.761 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.845 -11.654 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.968 -11.385 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.863 -12.048 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.592 -12.094 -3.474 1.00 0.00 H new ATOM 0 HE ARG A 70 7.113 -13.935 -2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.621 -13.500 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.269 -15.212 -2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.634 -16.099 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.966 -16.675 -1.805 1.00 0.00 H new ATOM 370 N ILE A 71 6.509 -6.845 -2.463 1.00 0.00 N ATOM 371 CA ILE A 71 6.604 -5.549 -3.120 1.00 0.00 C ATOM 372 C ILE A 71 7.576 -4.659 -2.347 1.00 0.00 C ATOM 373 O ILE A 71 8.436 -4.033 -2.968 1.00 0.00 O ATOM 374 CB ILE A 71 5.213 -4.894 -3.231 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.193 -5.735 -4.026 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.322 -3.514 -3.892 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.755 -5.297 -3.713 1.00 0.00 C ATOM 0 H ILE A 71 5.554 -7.133 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 71 6.983 -5.683 -4.133 1.00 0.00 H new ATOM 0 HB ILE A 71 4.847 -4.811 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.384 -5.631 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.317 -6.790 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.331 -3.065 -3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.969 -2.873 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.744 -3.622 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.056 -5.906 -4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.559 -5.425 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.627 -4.248 -3.981 1.00 0.00 H new ATOM 389 N ARG A 72 7.448 -4.608 -1.014 1.00 0.00 N ATOM 390 CA ARG A 72 8.315 -3.784 -0.191 1.00 0.00 C ATOM 391 C ARG A 72 9.772 -4.119 -0.419 1.00 0.00 C ATOM 392 O ARG A 72 10.529 -3.229 -0.771 1.00 0.00 O ATOM 393 CB ARG A 72 7.952 -3.881 1.293 1.00 0.00 C ATOM 394 CG ARG A 72 8.743 -2.850 2.103 1.00 0.00 C ATOM 395 CD ARG A 72 8.237 -2.780 3.540 1.00 0.00 C ATOM 396 NE ARG A 72 9.025 -3.605 4.459 1.00 0.00 N ATOM 397 CZ ARG A 72 8.833 -3.653 5.776 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.789 -3.031 6.325 1.00 0.00 N ATOM 399 NH2 ARG A 72 9.687 -4.315 6.548 1.00 0.00 N ATOM 0 H ARG A 72 6.747 -5.133 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 72 8.158 -2.750 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.883 -3.714 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.165 -4.884 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.801 -3.113 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.656 -1.870 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.259 -1.744 3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.196 -3.103 3.570 1.00 0.00 H new ATOM 0 HE ARG A 72 9.769 -4.180 4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.134 -2.516 5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.645 -3.070 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.490 -4.787 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.540 -4.352 7.557 1.00 0.00 H new ATOM 413 N GLN A 73 10.159 -5.374 -0.212 1.00 0.00 N ATOM 414 CA GLN A 73 11.532 -5.815 -0.371 1.00 0.00 C ATOM 415 C GLN A 73 12.048 -5.671 -1.800 1.00 0.00 C ATOM 416 O GLN A 73 13.234 -5.413 -1.994 1.00 0.00 O ATOM 417 CB GLN A 73 11.625 -7.276 0.089 1.00 0.00 C ATOM 418 CG GLN A 73 13.038 -7.706 0.504 1.00 0.00 C ATOM 419 CD GLN A 73 13.669 -6.769 1.533 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.120 -6.544 2.612 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.811 -6.186 1.210 1.00 0.00 N ATOM 0 H GLN A 73 9.520 -6.116 0.073 1.00 0.00 H new ATOM 0 HA GLN A 73 12.167 -5.173 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.948 -7.426 0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.280 -7.924 -0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.999 -8.715 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.674 -7.747 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.249 -6.386 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.254 -5.536 1.860 1.00 0.00 H new ATOM 430 N ASN A 74 11.177 -5.800 -2.795 1.00 0.00 N ATOM 431 CA ASN A 74 11.562 -5.709 -4.195 1.00 0.00 C ATOM 432 C ASN A 74 11.892 -4.277 -4.624 1.00 0.00 C ATOM 433 O ASN A 74 12.887 -4.049 -5.319 1.00 0.00 O ATOM 434 CB ASN A 74 10.447 -6.276 -5.088 1.00 0.00 C ATOM 435 CG ASN A 74 10.227 -7.776 -4.896 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.113 -8.506 -4.446 1.00 0.00 O ATOM 437 ND2 ASN A 74 9.030 -8.252 -5.196 1.00 0.00 N ATOM 0 H ASN A 74 10.182 -5.971 -2.651 1.00 0.00 H new ATOM 0 HA ASN A 74 12.470 -6.300 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.517 -5.749 -4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.692 -6.082 -6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.825 -9.241 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.312 -7.630 -5.567 1.00 0.00 H new ATOM 444 N GLU A 75 11.087 -3.306 -4.189 1.00 0.00 N ATOM 445 CA GLU A 75 11.212 -1.878 -4.509 1.00 0.00 C ATOM 446 C GLU A 75 11.835 -1.077 -3.347 1.00 0.00 C ATOM 447 O GLU A 75 11.818 0.155 -3.354 1.00 0.00 O ATOM 448 CB GLU A 75 9.813 -1.347 -4.865 1.00 0.00 C ATOM 449 CG GLU A 75 9.154 -1.963 -6.120 1.00 0.00 C ATOM 450 CD GLU A 75 9.401 -1.232 -7.451 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.013 -0.138 -7.489 1.00 0.00 O ATOM 452 OE2 GLU A 75 8.897 -1.742 -8.486 1.00 0.00 O ATOM 0 H GLU A 75 10.294 -3.499 -3.577 1.00 0.00 H new ATOM 0 HA GLU A 75 11.888 -1.755 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.154 -1.516 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.881 -0.268 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.508 -2.989 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.078 -2.012 -5.952 1.00 0.00 H new ATOM 459 N ILE A 76 12.447 -1.751 -2.370 1.00 0.00 N ATOM 460 CA ILE A 76 13.080 -1.201 -1.162 1.00 0.00 C ATOM 461 C ILE A 76 14.198 -0.171 -1.401 1.00 0.00 C ATOM 462 O ILE A 76 14.778 0.377 -0.456 1.00 0.00 O ATOM 463 CB ILE A 76 13.603 -2.396 -0.336 1.00 0.00 C ATOM 464 CG1 ILE A 76 13.714 -2.084 1.168 1.00 0.00 C ATOM 465 CG2 ILE A 76 14.898 -2.977 -0.937 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.371 -2.147 1.891 1.00 0.00 C ATOM 0 H ILE A 76 12.520 -2.768 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 76 12.319 -0.627 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 76 12.851 -3.182 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.403 -2.791 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.143 -1.090 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.237 -3.816 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.706 -3.320 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.669 -2.207 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.515 -1.918 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.687 -1.421 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.951 -3.148 1.791 1.00 0.00 H new ATOM 478 N ASN A 77 14.574 0.053 -2.655 1.00 0.00 N ATOM 479 CA ASN A 77 15.619 0.988 -3.045 1.00 0.00 C ATOM 480 C ASN A 77 15.066 2.224 -3.744 1.00 0.00 C ATOM 481 O ASN A 77 15.847 3.034 -4.232 1.00 0.00 O ATOM 482 CB ASN A 77 16.688 0.256 -3.868 1.00 0.00 C ATOM 483 CG ASN A 77 17.505 -0.677 -2.999 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.524 -1.883 -3.229 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.163 -0.163 -1.980 1.00 0.00 N ATOM 0 H ASN A 77 14.148 -0.425 -3.449 1.00 0.00 H new ATOM 0 HA ASN A 77 16.096 1.371 -2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.210 -0.312 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.346 0.983 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.703 -0.770 -1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.133 0.842 -1.808 1.00 0.00 H new ATOM 492 N ASN A 78 13.742 2.388 -3.782 1.00 0.00 N ATOM 493 CA ASN A 78 13.072 3.518 -4.404 1.00 0.00 C ATOM 494 C ASN A 78 12.102 4.115 -3.389 1.00 0.00 C ATOM 495 O ASN A 78 11.279 3.388 -2.825 1.00 0.00 O ATOM 496 CB ASN A 78 12.316 3.047 -5.654 1.00 0.00 C ATOM 497 CG ASN A 78 13.151 3.061 -6.927 1.00 0.00 C ATOM 498 OD1 ASN A 78 14.364 3.238 -6.947 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.497 2.918 -8.057 1.00 0.00 N ATOM 0 H ASN A 78 13.094 1.717 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 78 13.798 4.272 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.949 2.035 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.442 3.683 -5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.998 2.954 -8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.488 2.770 -8.047 1.00 0.00 H new ATOM 506 N PRO A 79 12.127 5.443 -3.187 1.00 0.00 N ATOM 507 CA PRO A 79 11.255 6.124 -2.239 1.00 0.00 C ATOM 508 C PRO A 79 9.773 5.931 -2.570 1.00 0.00 C ATOM 509 O PRO A 79 8.935 5.971 -1.663 1.00 0.00 O ATOM 510 CB PRO A 79 11.706 7.586 -2.234 1.00 0.00 C ATOM 511 CG PRO A 79 12.400 7.744 -3.584 1.00 0.00 C ATOM 512 CD PRO A 79 13.036 6.391 -3.800 1.00 0.00 C ATOM 0 HA PRO A 79 11.342 5.704 -1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.861 8.267 -2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.384 7.795 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.692 7.988 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.143 8.541 -3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.166 6.182 -4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.024 6.342 -3.342 1.00 0.00 H new ATOM 520 N LYS A 80 9.450 5.648 -3.837 1.00 0.00 N ATOM 521 CA LYS A 80 8.100 5.406 -4.329 1.00 0.00 C ATOM 522 C LYS A 80 7.370 4.375 -3.477 1.00 0.00 C ATOM 523 O LYS A 80 6.204 4.600 -3.170 1.00 0.00 O ATOM 524 CB LYS A 80 8.192 4.882 -5.774 1.00 0.00 C ATOM 525 CG LYS A 80 8.215 5.989 -6.833 1.00 0.00 C ATOM 526 CD LYS A 80 6.805 6.391 -7.286 1.00 0.00 C ATOM 527 CE LYS A 80 6.917 7.303 -8.511 1.00 0.00 C ATOM 528 NZ LYS A 80 5.623 7.479 -9.196 1.00 0.00 N ATOM 0 H LYS A 80 10.154 5.580 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 80 7.542 6.341 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.093 4.277 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.344 4.225 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.728 6.863 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.789 5.651 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.220 5.504 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.283 6.906 -6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.298 8.277 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.641 6.883 -9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.787 7.669 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.056 6.613 -9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.112 8.279 -8.772 1.00 0.00 H new ATOM 542 N PHE A 81 8.037 3.295 -3.068 1.00 0.00 N ATOM 543 CA PHE A 81 7.475 2.201 -2.277 1.00 0.00 C ATOM 544 C PHE A 81 7.829 2.242 -0.802 1.00 0.00 C ATOM 545 O PHE A 81 7.354 1.393 -0.047 1.00 0.00 O ATOM 546 CB PHE A 81 7.957 0.900 -2.906 1.00 0.00 C ATOM 547 CG PHE A 81 7.283 0.623 -4.240 1.00 0.00 C ATOM 548 CD1 PHE A 81 7.718 1.256 -5.420 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.189 -0.258 -4.293 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.063 1.009 -6.638 1.00 0.00 C ATOM 551 CE2 PHE A 81 5.579 -0.557 -5.524 1.00 0.00 C ATOM 552 CZ PHE A 81 6.006 0.091 -6.694 1.00 0.00 C ATOM 0 H PHE A 81 9.023 3.153 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 81 6.389 2.293 -2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.037 0.946 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.761 0.074 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.558 1.934 -5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.816 -0.707 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.375 1.528 -7.533 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.782 -1.285 -5.570 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.520 -0.118 -7.636 1.00 0.00 H new ATOM 562 N ASN A 82 8.600 3.236 -0.361 1.00 0.00 N ATOM 563 CA ASN A 82 8.988 3.344 1.039 1.00 0.00 C ATOM 564 C ASN A 82 7.771 3.431 1.970 1.00 0.00 C ATOM 565 O ASN A 82 7.916 3.131 3.150 1.00 0.00 O ATOM 566 CB ASN A 82 9.911 4.545 1.256 1.00 0.00 C ATOM 567 CG ASN A 82 11.386 4.315 0.959 1.00 0.00 C ATOM 568 OD1 ASN A 82 11.826 3.247 0.545 1.00 0.00 O ATOM 569 ND2 ASN A 82 12.196 5.339 1.152 1.00 0.00 N ATOM 0 H ASN A 82 8.967 3.978 -0.957 1.00 0.00 H new ATOM 0 HA ASN A 82 9.530 2.432 1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.559 5.366 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.816 4.869 2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.193 5.245 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.825 6.225 1.496 1.00 0.00 H new ATOM 576 N PHE A 83 6.573 3.794 1.480 1.00 0.00 N ATOM 577 CA PHE A 83 5.357 3.878 2.297 1.00 0.00 C ATOM 578 C PHE A 83 5.032 2.533 2.966 1.00 0.00 C ATOM 579 O PHE A 83 4.336 2.487 3.982 1.00 0.00 O ATOM 580 CB PHE A 83 4.166 4.369 1.450 1.00 0.00 C ATOM 581 CG PHE A 83 3.743 3.452 0.307 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.961 2.304 0.551 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.111 3.743 -1.019 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.614 1.447 -0.508 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.815 2.857 -2.060 1.00 0.00 C ATOM 586 CZ PHE A 83 3.072 1.703 -1.807 1.00 0.00 C ATOM 0 H PHE A 83 6.424 4.038 0.501 1.00 0.00 H new ATOM 0 HA PHE A 83 5.540 4.603 3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.311 4.515 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.418 5.345 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.628 2.083 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.630 4.665 -1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.990 0.586 -0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.162 3.066 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.852 1.012 -2.607 1.00 0.00 H new ATOM 596 N LEU A 84 5.519 1.429 2.391 1.00 0.00 N ATOM 597 CA LEU A 84 5.321 0.077 2.892 1.00 0.00 C ATOM 598 C LEU A 84 6.136 -0.174 4.166 1.00 0.00 C ATOM 599 O LEU A 84 5.915 -1.168 4.864 1.00 0.00 O ATOM 600 CB LEU A 84 5.727 -0.916 1.790 1.00 0.00 C ATOM 601 CG LEU A 84 4.760 -0.970 0.599 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.332 -1.819 -0.534 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.407 -1.548 1.019 1.00 0.00 C ATOM 0 H LEU A 84 6.078 1.459 1.538 1.00 0.00 H new ATOM 0 HA LEU A 84 4.271 -0.058 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.719 -0.650 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.804 -1.912 2.226 1.00 0.00 H new ATOM 0 HG LEU A 84 4.623 0.053 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.627 -1.840 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.276 -1.389 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.503 -2.835 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.740 -1.576 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.546 -2.559 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.970 -0.922 1.797 1.00 0.00 H new ATOM 615 N ASN A 85 7.117 0.679 4.456 1.00 0.00 N ATOM 616 CA ASN A 85 7.968 0.587 5.637 1.00 0.00 C ATOM 617 C ASN A 85 7.324 1.358 6.784 1.00 0.00 C ATOM 618 O ASN A 85 6.714 2.401 6.557 1.00 0.00 O ATOM 619 CB ASN A 85 9.338 1.236 5.419 1.00 0.00 C ATOM 620 CG ASN A 85 10.209 0.532 4.398 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.414 -0.673 4.490 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.765 1.271 3.462 1.00 0.00 N ATOM 0 H ASN A 85 7.346 1.474 3.859 1.00 0.00 H new ATOM 0 HA ASN A 85 8.087 -0.475 5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.191 2.269 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.868 1.266 6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.392 0.844 2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.569 2.271 3.418 1.00 0.00 H new ATOM 629 N PRO A 86 7.541 0.938 8.038 1.00 0.00 N ATOM 630 CA PRO A 86 6.980 1.617 9.201 1.00 0.00 C ATOM 631 C PRO A 86 7.612 2.991 9.441 1.00 0.00 C ATOM 632 O PRO A 86 7.057 3.809 10.173 1.00 0.00 O ATOM 633 CB PRO A 86 7.282 0.695 10.385 1.00 0.00 C ATOM 634 CG PRO A 86 8.470 -0.140 9.926 1.00 0.00 C ATOM 635 CD PRO A 86 8.255 -0.263 8.426 1.00 0.00 C ATOM 0 HA PRO A 86 5.915 1.800 9.059 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.522 1.266 11.282 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.425 0.066 10.627 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.417 0.347 10.158 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.487 -1.116 10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.205 -0.342 7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.680 -1.157 8.184 1.00 0.00 H new ATOM 643 N ASN A 87 8.767 3.237 8.828 1.00 0.00 N ATOM 644 CA ASN A 87 9.554 4.457 8.933 1.00 0.00 C ATOM 645 C ASN A 87 9.009 5.597 8.073 1.00 0.00 C ATOM 646 O ASN A 87 9.617 6.665 8.034 1.00 0.00 O ATOM 647 CB ASN A 87 11.011 4.137 8.565 1.00 0.00 C ATOM 648 CG ASN A 87 11.488 2.858 9.245 1.00 0.00 C ATOM 649 OD1 ASN A 87 11.659 2.813 10.460 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.581 1.760 8.516 1.00 0.00 N ATOM 0 H ASN A 87 9.201 2.550 8.211 1.00 0.00 H new ATOM 0 HA ASN A 87 9.494 4.811 9.962 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.100 4.031 7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.653 4.968 8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.796 0.868 8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.438 1.804 7.507 1.00 0.00 H new ATOM 657 N ASP A 88 7.918 5.377 7.336 1.00 0.00 N ATOM 658 CA ASP A 88 7.302 6.399 6.498 1.00 0.00 C ATOM 659 C ASP A 88 6.121 6.992 7.265 1.00 0.00 C ATOM 660 O ASP A 88 5.488 6.300 8.074 1.00 0.00 O ATOM 661 CB ASP A 88 6.903 5.837 5.127 1.00 0.00 C ATOM 662 CG ASP A 88 7.996 6.102 4.091 1.00 0.00 C ATOM 663 OD1 ASP A 88 9.198 5.953 4.415 1.00 0.00 O ATOM 664 OD2 ASP A 88 7.671 6.519 2.953 1.00 0.00 O ATOM 0 H ASP A 88 7.437 4.478 7.306 1.00 0.00 H new ATOM 0 HA ASP A 88 8.017 7.194 6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.724 4.765 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.968 6.293 4.800 1.00 0.00 H new ATOM 669 N PRO A 89 5.779 8.264 7.013 1.00 0.00 N ATOM 670 CA PRO A 89 4.691 8.944 7.702 1.00 0.00 C ATOM 671 C PRO A 89 3.321 8.411 7.296 1.00 0.00 C ATOM 672 O PRO A 89 2.423 8.307 8.131 1.00 0.00 O ATOM 673 CB PRO A 89 4.840 10.422 7.326 1.00 0.00 C ATOM 674 CG PRO A 89 5.689 10.448 6.058 1.00 0.00 C ATOM 675 CD PRO A 89 6.457 9.142 6.073 1.00 0.00 C ATOM 0 HA PRO A 89 4.750 8.782 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.867 10.881 7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.319 10.983 8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.066 10.529 5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.365 11.303 6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.482 8.697 5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.491 9.306 6.375 1.00 0.00 H new ATOM 683 N TYR A 90 3.174 8.054 6.021 1.00 0.00 N ATOM 684 CA TYR A 90 1.946 7.553 5.423 1.00 0.00 C ATOM 685 C TYR A 90 1.679 6.079 5.675 1.00 0.00 C ATOM 686 O TYR A 90 0.615 5.588 5.301 1.00 0.00 O ATOM 687 CB TYR A 90 2.010 7.813 3.922 1.00 0.00 C ATOM 688 CG TYR A 90 1.784 9.268 3.598 1.00 0.00 C ATOM 689 CD1 TYR A 90 0.470 9.759 3.549 1.00 0.00 C ATOM 690 CD2 TYR A 90 2.867 10.133 3.372 1.00 0.00 C ATOM 691 CE1 TYR A 90 0.222 11.067 3.119 1.00 0.00 C ATOM 692 CE2 TYR A 90 2.628 11.474 3.021 1.00 0.00 C ATOM 693 CZ TYR A 90 1.298 11.935 2.851 1.00 0.00 C ATOM 694 OH TYR A 90 1.041 13.199 2.417 1.00 0.00 O ATOM 0 H TYR A 90 3.942 8.110 5.352 1.00 0.00 H new ATOM 0 HA TYR A 90 1.120 8.083 5.897 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.982 7.502 3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.259 7.206 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.353 9.125 3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.880 9.770 3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.794 11.411 2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.457 12.152 2.881 1.00 0.00 H new ATOM 0 HH TYR A 90 1.886 13.675 2.277 1.00 0.00 H new ATOM 704 N HIS A 91 2.611 5.368 6.304 1.00 0.00 N ATOM 705 CA HIS A 91 2.445 3.953 6.575 1.00 0.00 C ATOM 706 C HIS A 91 1.159 3.676 7.357 1.00 0.00 C ATOM 707 O HIS A 91 0.406 2.786 6.990 1.00 0.00 O ATOM 708 CB HIS A 91 3.671 3.461 7.329 1.00 0.00 C ATOM 709 CG HIS A 91 3.625 1.975 7.581 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.979 1.026 6.658 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.195 1.324 8.708 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.823 -0.174 7.232 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.357 -0.046 8.485 1.00 0.00 N ATOM 0 H HIS A 91 3.494 5.757 6.636 1.00 0.00 H new ATOM 0 HA HIS A 91 2.353 3.412 5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.568 3.704 6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.746 3.987 8.281 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.303 1.202 5.707 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.803 1.785 9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.042 -1.117 6.752 1.00 0.00 H new ATOM 721 N ALA A 92 0.882 4.435 8.421 1.00 0.00 N ATOM 722 CA ALA A 92 -0.319 4.234 9.227 1.00 0.00 C ATOM 723 C ALA A 92 -1.612 4.360 8.408 1.00 0.00 C ATOM 724 O ALA A 92 -2.590 3.682 8.728 1.00 0.00 O ATOM 725 CB ALA A 92 -0.293 5.229 10.384 1.00 0.00 C ATOM 0 H ALA A 92 1.478 5.197 8.743 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.316 3.214 9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.183 5.095 10.999 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.596 5.058 10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.274 6.245 9.990 1.00 0.00 H new ATOM 731 N TYR A 93 -1.626 5.222 7.389 1.00 0.00 N ATOM 732 CA TYR A 93 -2.769 5.413 6.505 1.00 0.00 C ATOM 733 C TYR A 93 -2.794 4.219 5.545 1.00 0.00 C ATOM 734 O TYR A 93 -3.858 3.645 5.322 1.00 0.00 O ATOM 735 CB TYR A 93 -2.659 6.765 5.788 1.00 0.00 C ATOM 736 CG TYR A 93 -3.495 6.905 4.525 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.903 6.886 4.566 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.844 7.037 3.287 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.651 7.042 3.381 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.583 7.165 2.099 1.00 0.00 C ATOM 741 CZ TYR A 93 -4.992 7.191 2.138 1.00 0.00 C ATOM 742 OH TYR A 93 -5.672 7.405 0.975 1.00 0.00 O ATOM 0 H TYR A 93 -0.829 5.814 7.154 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.711 5.446 7.052 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.950 7.551 6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.614 6.937 5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.412 6.751 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.765 7.040 3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.730 7.048 3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.070 7.244 1.152 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.036 7.481 0.233 1.00 0.00 H new ATOM 752 N TYR A 94 -1.633 3.791 5.025 1.00 0.00 N ATOM 753 CA TYR A 94 -1.547 2.642 4.128 1.00 0.00 C ATOM 754 C TYR A 94 -2.159 1.424 4.829 1.00 0.00 C ATOM 755 O TYR A 94 -2.935 0.672 4.237 1.00 0.00 O ATOM 756 CB TYR A 94 -0.090 2.350 3.697 1.00 0.00 C ATOM 757 CG TYR A 94 0.046 1.061 2.900 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.094 1.039 1.502 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.225 -0.152 3.584 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.146 -0.180 0.809 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.217 -1.375 2.896 1.00 0.00 C ATOM 762 CZ TYR A 94 0.012 -1.392 1.506 1.00 0.00 C ATOM 763 OH TYR A 94 -0.027 -2.572 0.842 1.00 0.00 O ATOM 0 H TYR A 94 -0.734 4.234 5.217 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.102 2.868 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.280 3.182 3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.541 2.291 4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.162 1.968 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.371 -0.144 4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.307 -0.188 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.368 -2.300 3.433 1.00 0.00 H new ATOM 0 HH TYR A 94 0.539 -3.226 1.303 1.00 0.00 H new ATOM 773 N ARG A 95 -1.819 1.241 6.109 1.00 0.00 N ATOM 774 CA ARG A 95 -2.312 0.144 6.936 1.00 0.00 C ATOM 775 C ARG A 95 -3.837 0.159 6.948 1.00 0.00 C ATOM 776 O ARG A 95 -4.444 -0.903 6.795 1.00 0.00 O ATOM 777 CB ARG A 95 -1.748 0.241 8.367 1.00 0.00 C ATOM 778 CG ARG A 95 -0.251 -0.079 8.499 1.00 0.00 C ATOM 779 CD ARG A 95 0.084 -1.510 8.066 1.00 0.00 C ATOM 780 NE ARG A 95 0.721 -2.283 9.138 1.00 0.00 N ATOM 781 CZ ARG A 95 0.109 -2.790 10.214 1.00 0.00 C ATOM 782 NH1 ARG A 95 -1.215 -2.778 10.338 1.00 0.00 N ATOM 783 NH2 ARG A 95 0.864 -3.309 11.173 1.00 0.00 N ATOM 0 H ARG A 95 -1.182 1.864 6.605 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.972 -0.801 6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.923 1.249 8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.307 -0.440 9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.322 0.624 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.058 0.066 9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.829 -2.015 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.746 -1.479 7.201 1.00 0.00 H new ATOM 0 HE ARG A 95 1.724 -2.449 9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.793 -2.375 9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.653 -3.172 11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.879 -3.313 11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.429 -3.704 12.007 1.00 0.00 H new ATOM 797 N HIS A 96 -4.441 1.336 7.132 1.00 0.00 N ATOM 798 CA HIS A 96 -5.884 1.485 7.140 1.00 0.00 C ATOM 799 C HIS A 96 -6.433 1.042 5.798 1.00 0.00 C ATOM 800 O HIS A 96 -7.343 0.218 5.781 1.00 0.00 O ATOM 801 CB HIS A 96 -6.282 2.942 7.467 1.00 0.00 C ATOM 802 CG HIS A 96 -7.772 3.213 7.480 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.644 3.028 6.439 1.00 0.00 N flip ATOM 804 CD2 HIS A 96 -8.475 3.826 8.493 1.00 0.00 C flip ATOM 805 CE1 HIS A 96 -9.896 3.503 6.839 1.00 0.00 C flip ATOM 806 NE2 HIS A 96 -9.743 3.982 8.078 1.00 0.00 N flip ATOM 0 H HIS A 96 -3.935 2.209 7.279 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.314 0.856 7.919 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.872 3.204 8.442 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.815 3.603 6.737 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.078 4.128 9.451 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.808 3.486 6.261 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.487 4.407 8.632 1.00 0.00 H new ATOM 814 N LYS A 97 -5.908 1.576 4.692 1.00 0.00 N ATOM 815 CA LYS A 97 -6.384 1.238 3.360 1.00 0.00 C ATOM 816 C LYS A 97 -6.407 -0.253 3.118 1.00 0.00 C ATOM 817 O LYS A 97 -7.399 -0.705 2.565 1.00 0.00 O ATOM 818 CB LYS A 97 -5.523 1.893 2.291 1.00 0.00 C ATOM 819 CG LYS A 97 -5.565 3.426 2.221 1.00 0.00 C ATOM 820 CD LYS A 97 -6.990 3.980 2.203 1.00 0.00 C ATOM 821 CE LYS A 97 -7.855 3.373 1.092 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.132 4.093 0.923 1.00 0.00 N ATOM 0 H LYS A 97 -5.144 2.252 4.701 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.405 1.615 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.489 1.587 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.825 1.499 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.030 3.839 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.039 3.759 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.460 3.789 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.952 5.062 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.302 3.392 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.057 2.327 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.843 3.449 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.460 4.439 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.994 4.899 0.281 1.00 0.00 H new ATOM 836 N VAL A 98 -5.369 -1.003 3.497 1.00 0.00 N ATOM 837 CA VAL A 98 -5.348 -2.450 3.289 1.00 0.00 C ATOM 838 C VAL A 98 -6.636 -3.026 3.860 1.00 0.00 C ATOM 839 O VAL A 98 -7.417 -3.610 3.120 1.00 0.00 O ATOM 840 CB VAL A 98 -4.091 -3.073 3.917 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.131 -4.612 3.890 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.840 -2.609 3.163 1.00 0.00 C ATOM 0 H VAL A 98 -4.534 -0.631 3.949 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.299 -2.686 2.226 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.060 -2.743 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.222 -5.008 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.999 -4.963 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.200 -4.956 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.955 -3.056 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.909 -2.917 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.765 -1.523 3.216 1.00 0.00 H new ATOM 852 N SER A 99 -6.872 -2.828 5.155 1.00 0.00 N ATOM 853 CA SER A 99 -8.068 -3.322 5.811 1.00 0.00 C ATOM 854 C SER A 99 -9.317 -2.802 5.085 1.00 0.00 C ATOM 855 O SER A 99 -10.201 -3.588 4.790 1.00 0.00 O ATOM 856 CB SER A 99 -8.017 -2.856 7.274 1.00 0.00 C ATOM 857 OG SER A 99 -9.179 -3.185 8.011 1.00 0.00 O ATOM 0 H SER A 99 -6.238 -2.321 5.773 1.00 0.00 H new ATOM 0 HA SER A 99 -8.117 -4.410 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.150 -3.303 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.874 -1.776 7.298 1.00 0.00 H new ATOM 0 HG SER A 99 -9.084 -2.864 8.932 1.00 0.00 H new ATOM 863 N GLU A 100 -9.391 -1.516 4.752 1.00 0.00 N ATOM 864 CA GLU A 100 -10.516 -0.876 4.069 1.00 0.00 C ATOM 865 C GLU A 100 -10.888 -1.623 2.790 1.00 0.00 C ATOM 866 O GLU A 100 -12.056 -1.965 2.576 1.00 0.00 O ATOM 867 CB GLU A 100 -10.112 0.575 3.749 1.00 0.00 C ATOM 868 CG GLU A 100 -11.150 1.654 4.093 1.00 0.00 C ATOM 869 CD GLU A 100 -10.804 2.966 3.371 1.00 0.00 C ATOM 870 OE1 GLU A 100 -9.732 3.542 3.627 1.00 0.00 O ATOM 871 OE2 GLU A 100 -11.511 3.430 2.450 1.00 0.00 O ATOM 0 H GLU A 100 -8.637 -0.862 4.959 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.394 -0.894 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.190 0.801 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.886 0.642 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.145 1.320 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.173 1.817 5.170 1.00 0.00 H new ATOM 878 N PHE A 101 -9.891 -1.854 1.931 1.00 0.00 N ATOM 879 CA PHE A 101 -10.072 -2.557 0.681 1.00 0.00 C ATOM 880 C PHE A 101 -10.457 -4.004 0.936 1.00 0.00 C ATOM 881 O PHE A 101 -11.207 -4.578 0.149 1.00 0.00 O ATOM 882 CB PHE A 101 -8.813 -2.449 -0.197 1.00 0.00 C ATOM 883 CG PHE A 101 -8.699 -1.176 -1.023 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.356 -1.083 -2.265 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.865 -0.119 -0.614 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.183 0.051 -3.083 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.696 1.010 -1.429 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.359 1.104 -2.659 1.00 0.00 C ATOM 0 H PHE A 101 -8.931 -1.551 2.096 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.889 -2.088 0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.936 -2.525 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.788 -3.304 -0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.998 -1.887 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.351 -0.177 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.685 0.110 -4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.050 1.813 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.237 1.981 -3.277 1.00 0.00 H new ATOM 898 N LYS A 102 -9.964 -4.596 2.023 1.00 0.00 N ATOM 899 CA LYS A 102 -10.292 -5.980 2.363 1.00 0.00 C ATOM 900 C LYS A 102 -11.736 -6.083 2.820 1.00 0.00 C ATOM 901 O LYS A 102 -12.411 -7.054 2.484 1.00 0.00 O ATOM 902 CB LYS A 102 -9.381 -6.464 3.478 1.00 0.00 C ATOM 903 CG LYS A 102 -7.997 -6.800 2.950 1.00 0.00 C ATOM 904 CD LYS A 102 -7.057 -7.303 4.030 1.00 0.00 C ATOM 905 CE LYS A 102 -6.778 -8.778 3.784 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.389 -9.528 4.998 1.00 0.00 N ATOM 0 H LYS A 102 -9.336 -4.139 2.684 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.152 -6.598 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.303 -5.695 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.816 -7.344 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.085 -7.557 2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.566 -5.913 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.127 -6.735 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.502 -7.162 5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.668 -9.239 3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.983 -8.868 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.216 -10.523 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.523 -9.115 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.155 -9.474 5.700 1.00 0.00 H new ATOM 920 N GLU A 103 -12.224 -5.097 3.578 1.00 0.00 N ATOM 921 CA GLU A 103 -13.605 -5.107 4.039 1.00 0.00 C ATOM 922 C GLU A 103 -14.538 -4.927 2.835 1.00 0.00 C ATOM 923 O GLU A 103 -15.723 -5.233 2.920 1.00 0.00 O ATOM 924 CB GLU A 103 -13.889 -4.002 5.067 1.00 0.00 C ATOM 925 CG GLU A 103 -12.915 -3.958 6.249 1.00 0.00 C ATOM 926 CD GLU A 103 -13.526 -3.464 7.553 1.00 0.00 C ATOM 927 OE1 GLU A 103 -13.503 -2.237 7.801 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.965 -4.316 8.362 1.00 0.00 O ATOM 0 H GLU A 103 -11.682 -4.288 3.881 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.781 -6.064 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.865 -3.038 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.900 -4.135 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.511 -4.958 6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.076 -3.313 5.988 1.00 0.00 H new ATOM 935 N GLY A 104 -14.009 -4.420 1.717 1.00 0.00 N ATOM 936 CA GLY A 104 -14.750 -4.207 0.487 1.00 0.00 C ATOM 937 C GLY A 104 -15.693 -3.020 0.601 1.00 0.00 C ATOM 938 O GLY A 104 -16.756 -3.021 -0.026 1.00 0.00 O ATOM 0 H GLY A 104 -13.030 -4.142 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.053 -4.041 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.320 -5.104 0.245 1.00 0.00 H new ATOM 942 N LYS A 105 -15.356 -2.036 1.441 1.00 0.00 N ATOM 943 CA LYS A 105 -16.152 -0.824 1.660 1.00 0.00 C ATOM 944 C LYS A 105 -15.417 0.435 1.222 1.00 0.00 C ATOM 945 O LYS A 105 -16.047 1.489 1.117 1.00 0.00 O ATOM 946 CB LYS A 105 -16.559 -0.717 3.141 1.00 0.00 C ATOM 947 CG LYS A 105 -15.400 -0.239 4.036 1.00 0.00 C ATOM 948 CD LYS A 105 -15.760 -0.120 5.514 1.00 0.00 C ATOM 949 CE LYS A 105 -16.038 -1.502 6.123 1.00 0.00 C ATOM 950 NZ LYS A 105 -16.227 -1.472 7.584 1.00 0.00 N ATOM 0 H LYS A 105 -14.503 -2.061 2.000 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.047 -0.906 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.396 -0.026 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.907 -1.689 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.565 -0.932 3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.056 0.731 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.945 0.362 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.638 0.516 5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.929 -1.923 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.209 -2.169 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.899 -2.215 7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.315 -1.636 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.601 -0.544 7.867 1.00 0.00 H new ATOM 964 N ALA A 106 -14.098 0.344 1.052 1.00 0.00 N ATOM 965 CA ALA A 106 -13.277 1.461 0.661 1.00 0.00 C ATOM 966 C ALA A 106 -13.657 1.960 -0.720 1.00 0.00 C ATOM 967 O ALA A 106 -13.956 1.147 -1.599 1.00 0.00 O ATOM 968 CB ALA A 106 -11.823 1.004 0.557 1.00 0.00 C ATOM 0 H ALA A 106 -13.576 -0.522 1.186 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.415 2.246 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.197 1.846 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.490 0.627 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.743 0.213 -0.188 1.00 0.00 H new ATOM 974 N GLN A 107 -13.616 3.276 -0.915 1.00 0.00 N ATOM 975 CA GLN A 107 -13.912 3.836 -2.221 1.00 0.00 C ATOM 976 C GLN A 107 -12.622 3.644 -3.021 1.00 0.00 C ATOM 977 O GLN A 107 -11.556 4.137 -2.634 1.00 0.00 O ATOM 978 CB GLN A 107 -14.442 5.280 -2.136 1.00 0.00 C ATOM 979 CG GLN A 107 -13.460 6.392 -1.737 1.00 0.00 C ATOM 980 CD GLN A 107 -12.949 7.189 -2.941 1.00 0.00 C ATOM 981 OE1 GLN A 107 -13.544 8.181 -3.353 1.00 0.00 O ATOM 982 NE2 GLN A 107 -11.831 6.826 -3.531 1.00 0.00 N ATOM 0 H GLN A 107 -13.384 3.961 -0.195 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.737 3.336 -2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.860 5.539 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.265 5.291 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.950 7.071 -1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.613 5.952 -1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.324 6.005 -3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.471 7.366 -4.318 1.00 0.00 H new ATOM 991 N GLU A 108 -12.675 2.828 -4.067 1.00 0.00 N ATOM 992 CA GLU A 108 -11.535 2.565 -4.923 1.00 0.00 C ATOM 993 C GLU A 108 -11.266 3.830 -5.764 1.00 0.00 C ATOM 994 O GLU A 108 -12.136 4.708 -5.846 1.00 0.00 O ATOM 995 CB GLU A 108 -11.802 1.280 -5.719 1.00 0.00 C ATOM 996 CG GLU A 108 -12.532 1.497 -7.044 1.00 0.00 C ATOM 997 CD GLU A 108 -13.276 0.239 -7.481 1.00 0.00 C ATOM 998 OE1 GLU A 108 -12.674 -0.859 -7.544 1.00 0.00 O ATOM 999 OE2 GLU A 108 -14.490 0.342 -7.776 1.00 0.00 O ATOM 0 H GLU A 108 -13.520 2.328 -4.343 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.616 2.373 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.851 0.787 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.390 0.600 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.237 2.322 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.815 1.784 -7.814 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.099 3.946 -6.406 1.00 0.00 N ATOM 1007 CA PRO A 109 -9.726 5.112 -7.193 1.00 0.00 C ATOM 1008 C PRO A 109 -10.485 5.203 -8.517 1.00 0.00 C ATOM 1009 O PRO A 109 -11.410 4.434 -8.797 1.00 0.00 O ATOM 1010 CB PRO A 109 -8.209 4.988 -7.371 1.00 0.00 C ATOM 1011 CG PRO A 109 -8.005 3.483 -7.406 1.00 0.00 C ATOM 1012 CD PRO A 109 -9.024 2.975 -6.393 1.00 0.00 C ATOM 0 HA PRO A 109 -9.994 6.043 -6.693 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.868 5.465 -8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.664 5.453 -6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.186 3.074 -8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.988 3.207 -7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.387 1.984 -6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.582 2.892 -5.400 1.00 0.00 H new ATOM 1020 N SER A 110 -10.130 6.219 -9.297 1.00 0.00 N ATOM 1021 CA SER A 110 -10.668 6.540 -10.603 1.00 0.00 C ATOM 1022 C SER A 110 -9.491 7.000 -11.454 1.00 0.00 C ATOM 1023 O SER A 110 -9.673 7.237 -12.667 1.00 0.00 O ATOM 1024 CB SER A 110 -11.751 7.617 -10.434 1.00 0.00 C ATOM 1025 OG SER A 110 -12.781 7.463 -11.390 1.00 0.00 O ATOM 0 H SER A 110 -9.410 6.881 -9.009 1.00 0.00 H new ATOM 0 HA SER A 110 -11.145 5.692 -11.095 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.172 7.559 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.303 8.606 -10.535 1.00 0.00 H new ATOM 0 HG SER A 110 -13.457 8.160 -11.258 1.00 0.00 H new TER 1031 SER A 110