USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 713 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 10 ASN : amide:sc= 0.146 X(o=0.089,f=-0.26) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= -0.057 USER MOD Set 2.1: A 17 MET CE :methyl 150:sc= -9.2! (180deg=-7.88!) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.212 (180deg=-0.817) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 1.16 (180deg=1.03) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 141:sc= -3.54! (180deg=-7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.73! C(o=-4.7!,f=-3.3!) USER MOD Single : A 19 GLN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 24 CYS SG : rot 83:sc= -3.85! USER MOD Single : A 26 THR OG1 : rot 71:sc= 0.992 USER MOD Single : A 27 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 29 MET CE :methyl 143:sc= -0.15 (180deg=-0.801) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0441 (180deg=-0.269) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.773 USER MOD Single : A 33 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.6!) USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= -2.52! (180deg=-2.65!) USER MOD Single : A 41 TYR OH : rot -94:sc= 0.0643 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0299 (180deg=-0.275) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.0403 (180deg=-0.203) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.043) USER MOD Single : A 56 CYS SG : rot 140:sc= -3.36 USER MOD Single : A 61 ASN : amide:sc= -4.55! K(o=-4.5!,f=-0.99) USER MOD Single : A 64 SER OG : rot 60:sc= 0.287 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00747 X(o=-0.0075,f=-0.0085) USER MOD Single : A 70 THR OG1 : rot 165:sc= 0.26 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.51 USER MOD Single : A 80 GLN : amide:sc= -6.46! C(o=-6.5!,f=-5.9!) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 0.997 (180deg=0.775) USER MOD Single : A 88 SER OG : rot 65:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.904 21.095 4.703 1.00 0.00 N ATOM 2 CA MET A 1 5.023 20.406 4.008 1.00 0.00 C ATOM 3 C MET A 1 5.173 18.968 4.493 1.00 0.00 C ATOM 4 O MET A 1 4.963 18.021 3.734 1.00 0.00 O ATOM 5 CB MET A 1 6.313 21.188 4.269 1.00 0.00 C ATOM 6 CG MET A 1 7.537 20.581 3.602 1.00 0.00 C ATOM 7 SD MET A 1 9.042 21.519 3.925 1.00 0.00 S ATOM 8 CE MET A 1 9.123 21.426 5.712 1.00 0.00 C ATOM 0 H1 MET A 1 3.826 22.071 4.353 1.00 0.00 H new ATOM 0 H2 MET A 1 3.015 20.588 4.517 1.00 0.00 H new ATOM 0 H3 MET A 1 4.087 21.108 5.727 1.00 0.00 H new ATOM 0 HA MET A 1 4.813 20.371 2.939 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.186 22.211 3.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.484 21.242 5.344 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.668 19.558 3.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.371 20.528 2.526 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.148 21.598 6.039 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.471 22.185 6.146 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.799 20.438 6.040 1.00 0.00 H new ATOM 20 N SER A 2 5.534 18.812 5.762 1.00 0.00 N ATOM 21 CA SER A 2 5.710 17.488 6.352 1.00 0.00 C ATOM 22 C SER A 2 6.819 16.720 5.638 1.00 0.00 C ATOM 23 O SER A 2 7.090 16.949 4.460 1.00 0.00 O ATOM 24 CB SER A 2 4.403 16.697 6.284 1.00 0.00 C ATOM 25 OG SER A 2 4.557 15.408 6.851 1.00 0.00 O ATOM 0 H SER A 2 5.711 19.586 6.403 1.00 0.00 H new ATOM 0 HA SER A 2 5.993 17.618 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.619 17.239 6.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.083 16.605 5.246 1.00 0.00 H new ATOM 0 HG SER A 2 3.707 14.923 6.797 1.00 0.00 H new ATOM 31 N ASP A 3 7.459 15.806 6.364 1.00 0.00 N ATOM 32 CA ASP A 3 8.538 15.004 5.802 1.00 0.00 C ATOM 33 C ASP A 3 9.042 13.983 6.818 1.00 0.00 C ATOM 34 O ASP A 3 10.045 14.208 7.494 1.00 0.00 O ATOM 35 CB ASP A 3 9.689 15.904 5.348 1.00 0.00 C ATOM 36 CG ASP A 3 10.254 16.737 6.483 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.491 17.531 7.073 1.00 0.00 O ATOM 38 OD2 ASP A 3 11.458 16.595 6.780 1.00 0.00 O ATOM 0 H ASP A 3 7.248 15.604 7.341 1.00 0.00 H new ATOM 0 HA ASP A 3 8.147 14.467 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.482 15.289 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.339 16.565 4.555 1.00 0.00 H new ATOM 43 N ARG A 4 8.338 12.860 6.919 1.00 0.00 N ATOM 44 CA ARG A 4 8.708 11.805 7.848 1.00 0.00 C ATOM 45 C ARG A 4 9.339 10.621 7.115 1.00 0.00 C ATOM 46 O ARG A 4 10.010 9.789 7.725 1.00 0.00 O ATOM 47 CB ARG A 4 7.472 11.344 8.619 1.00 0.00 C ATOM 48 CG ARG A 4 7.736 10.171 9.539 1.00 0.00 C ATOM 49 CD ARG A 4 8.767 10.515 10.602 1.00 0.00 C ATOM 50 NE ARG A 4 8.335 11.629 11.441 1.00 0.00 N ATOM 51 CZ ARG A 4 9.056 12.125 12.445 1.00 0.00 C ATOM 52 NH1 ARG A 4 10.244 11.608 12.737 1.00 0.00 N ATOM 53 NH2 ARG A 4 8.589 13.140 13.158 1.00 0.00 N ATOM 0 H ARG A 4 7.505 12.659 6.365 1.00 0.00 H new ATOM 0 HA ARG A 4 9.446 12.202 8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.089 12.178 9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.692 11.070 7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.805 9.867 10.019 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.086 9.320 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.950 9.640 11.226 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.712 10.768 10.122 1.00 0.00 H new ATOM 0 HE ARG A 4 7.428 12.052 11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.608 10.827 12.191 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.792 11.992 13.507 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.677 13.541 12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.141 13.520 13.927 1.00 0.00 H new ATOM 67 N LYS A 5 9.110 10.548 5.808 1.00 0.00 N ATOM 68 CA LYS A 5 9.650 9.465 4.994 1.00 0.00 C ATOM 69 C LYS A 5 9.075 8.120 5.424 1.00 0.00 C ATOM 70 O LYS A 5 9.666 7.411 6.238 1.00 0.00 O ATOM 71 CB LYS A 5 11.181 9.425 5.074 1.00 0.00 C ATOM 72 CG LYS A 5 11.868 10.647 4.475 1.00 0.00 C ATOM 73 CD LYS A 5 11.714 11.881 5.353 1.00 0.00 C ATOM 74 CE LYS A 5 12.366 11.686 6.712 1.00 0.00 C ATOM 75 NZ LYS A 5 12.270 12.909 7.556 1.00 0.00 N ATOM 0 H LYS A 5 8.553 11.227 5.289 1.00 0.00 H new ATOM 0 HA LYS A 5 9.360 9.657 3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.477 9.331 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.538 8.533 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.928 10.433 4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.450 10.850 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.161 12.741 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.655 12.104 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.889 10.852 7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.414 11.420 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.506 12.671 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.936 13.627 7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.301 13.285 7.513 1.00 0.00 H new ATOM 89 N ALA A 6 7.917 7.774 4.869 1.00 0.00 N ATOM 90 CA ALA A 6 7.256 6.513 5.188 1.00 0.00 C ATOM 91 C ALA A 6 6.789 6.486 6.640 1.00 0.00 C ATOM 92 O ALA A 6 7.582 6.680 7.560 1.00 0.00 O ATOM 93 CB ALA A 6 8.187 5.341 4.908 1.00 0.00 C ATOM 0 H ALA A 6 7.416 8.352 4.194 1.00 0.00 H new ATOM 0 HA ALA A 6 6.376 6.424 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.680 4.407 5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.464 5.340 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.085 5.436 5.519 1.00 0.00 H new ATOM 99 N VAL A 7 5.497 6.244 6.834 1.00 0.00 N ATOM 100 CA VAL A 7 4.924 6.190 8.172 1.00 0.00 C ATOM 101 C VAL A 7 3.823 5.137 8.257 1.00 0.00 C ATOM 102 O VAL A 7 2.637 5.458 8.171 1.00 0.00 O ATOM 103 CB VAL A 7 4.347 7.558 8.587 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.844 7.520 10.023 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.387 8.652 8.407 1.00 0.00 C ATOM 0 H VAL A 7 4.828 6.082 6.081 1.00 0.00 H new ATOM 0 HA VAL A 7 5.731 5.921 8.854 1.00 0.00 H new ATOM 0 HB VAL A 7 3.499 7.782 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.441 8.496 10.293 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.061 6.767 10.115 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.668 7.270 10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.962 9.611 8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.257 8.433 9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.689 8.698 7.361 1.00 0.00 H new ATOM 115 N ILE A 8 4.221 3.879 8.427 1.00 0.00 N ATOM 116 CA ILE A 8 3.259 2.787 8.523 1.00 0.00 C ATOM 117 C ILE A 8 2.328 2.983 9.715 1.00 0.00 C ATOM 118 O ILE A 8 2.768 2.976 10.866 1.00 0.00 O ATOM 119 CB ILE A 8 3.960 1.416 8.660 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.831 1.129 7.433 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.933 0.305 8.851 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.532 -0.208 7.498 1.00 0.00 C ATOM 0 H ILE A 8 5.197 3.592 8.501 1.00 0.00 H new ATOM 0 HA ILE A 8 2.681 2.798 7.599 1.00 0.00 H new ATOM 0 HB ILE A 8 4.603 1.449 9.540 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.209 1.162 6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.576 1.918 7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.446 -0.652 8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.353 0.497 9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.265 0.275 7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.132 -0.348 6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.180 -0.237 8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.791 -1.004 7.568 1.00 0.00 H new ATOM 134 N LYS A 9 1.038 3.144 9.439 1.00 0.00 N ATOM 135 CA LYS A 9 0.056 3.325 10.495 1.00 0.00 C ATOM 136 C LYS A 9 -0.157 2.013 11.241 1.00 0.00 C ATOM 137 O LYS A 9 -0.201 1.990 12.471 1.00 0.00 O ATOM 138 CB LYS A 9 -1.270 3.830 9.923 1.00 0.00 C ATOM 139 CG LYS A 9 -2.336 4.071 10.979 1.00 0.00 C ATOM 140 CD LYS A 9 -1.884 5.100 12.003 1.00 0.00 C ATOM 141 CE LYS A 9 -1.587 6.441 11.354 1.00 0.00 C ATOM 142 NZ LYS A 9 -1.150 7.458 12.351 1.00 0.00 N ATOM 0 H LYS A 9 0.652 3.152 8.495 1.00 0.00 H new ATOM 0 HA LYS A 9 0.434 4.073 11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.092 4.758 9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.644 3.105 9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.254 4.412 10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.569 3.133 11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.658 5.225 12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.993 4.737 12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.810 6.315 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.477 6.799 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.957 8.358 11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.901 7.598 13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.286 7.129 12.827 1.00 0.00 H new ATOM 156 N ASN A 10 -0.280 0.917 10.492 1.00 0.00 N ATOM 157 CA ASN A 10 -0.475 -0.392 11.105 1.00 0.00 C ATOM 158 C ASN A 10 0.042 -1.502 10.196 1.00 0.00 C ATOM 159 O ASN A 10 -0.460 -1.698 9.089 1.00 0.00 O ATOM 160 CB ASN A 10 -1.953 -0.619 11.413 1.00 0.00 C ATOM 161 CG ASN A 10 -2.169 -1.714 12.441 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.558 -1.706 13.509 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.057 -2.652 12.132 1.00 0.00 N ATOM 0 H ASN A 10 -0.248 0.911 9.473 1.00 0.00 H new ATOM 0 HA ASN A 10 0.091 -0.416 12.036 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.392 0.310 11.778 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.477 -0.879 10.493 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.255 -3.404 12.792 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.541 -2.620 11.235 1.00 0.00 H new ATOM 170 N ALA A 11 1.050 -2.226 10.671 1.00 0.00 N ATOM 171 CA ALA A 11 1.634 -3.319 9.902 1.00 0.00 C ATOM 172 C ALA A 11 1.173 -4.672 10.429 1.00 0.00 C ATOM 173 O ALA A 11 1.864 -5.306 11.226 1.00 0.00 O ATOM 174 CB ALA A 11 3.152 -3.228 9.931 1.00 0.00 C ATOM 0 H ALA A 11 1.479 -2.076 11.584 1.00 0.00 H new ATOM 0 HA ALA A 11 1.293 -3.228 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.577 -4.049 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.468 -2.279 9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.501 -3.291 10.962 1.00 0.00 H new ATOM 180 N ASP A 12 0.003 -5.109 9.979 1.00 0.00 N ATOM 181 CA ASP A 12 -0.550 -6.390 10.405 1.00 0.00 C ATOM 182 C ASP A 12 0.072 -7.544 9.617 1.00 0.00 C ATOM 183 O ASP A 12 -0.195 -8.712 9.899 1.00 0.00 O ATOM 184 CB ASP A 12 -2.070 -6.390 10.229 1.00 0.00 C ATOM 185 CG ASP A 12 -2.729 -7.625 10.813 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.022 -8.438 11.445 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.958 -7.777 10.646 1.00 0.00 O ATOM 0 H ASP A 12 -0.582 -4.596 9.319 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.313 -6.531 11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.486 -5.502 10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.308 -6.324 9.167 1.00 0.00 H new ATOM 192 N MET A 13 0.903 -7.215 8.630 1.00 0.00 N ATOM 193 CA MET A 13 1.555 -8.233 7.816 1.00 0.00 C ATOM 194 C MET A 13 2.927 -8.581 8.394 1.00 0.00 C ATOM 195 O MET A 13 3.472 -7.834 9.207 1.00 0.00 O ATOM 196 CB MET A 13 1.692 -7.748 6.370 1.00 0.00 C ATOM 197 CG MET A 13 2.316 -8.770 5.435 1.00 0.00 C ATOM 198 SD MET A 13 1.342 -10.283 5.304 1.00 0.00 S ATOM 199 CE MET A 13 -0.203 -9.637 4.668 1.00 0.00 C ATOM 0 H MET A 13 1.139 -6.255 8.377 1.00 0.00 H new ATOM 0 HA MET A 13 0.939 -9.132 7.825 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.706 -7.479 5.992 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.297 -6.841 6.357 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.429 -8.329 4.445 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.317 -9.017 5.790 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.610 -10.328 3.930 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.913 -9.521 5.487 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.027 -8.668 4.200 1.00 0.00 H new ATOM 209 N SER A 14 3.472 -9.724 7.977 1.00 0.00 N ATOM 210 CA SER A 14 4.776 -10.186 8.455 1.00 0.00 C ATOM 211 C SER A 14 5.776 -9.041 8.581 1.00 0.00 C ATOM 212 O SER A 14 6.087 -8.594 9.685 1.00 0.00 O ATOM 213 CB SER A 14 5.330 -11.258 7.513 1.00 0.00 C ATOM 214 OG SER A 14 4.473 -12.386 7.462 1.00 0.00 O ATOM 0 H SER A 14 3.028 -10.350 7.305 1.00 0.00 H new ATOM 0 HA SER A 14 4.630 -10.609 9.449 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.448 -10.842 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.320 -11.565 7.849 1.00 0.00 H new ATOM 0 HG SER A 14 4.849 -13.055 6.852 1.00 0.00 H new ATOM 220 N GLU A 15 6.271 -8.576 7.444 1.00 0.00 N ATOM 221 CA GLU A 15 7.241 -7.484 7.413 1.00 0.00 C ATOM 222 C GLU A 15 7.676 -7.197 5.983 1.00 0.00 C ATOM 223 O GLU A 15 7.984 -6.058 5.632 1.00 0.00 O ATOM 224 CB GLU A 15 8.465 -7.829 8.268 1.00 0.00 C ATOM 225 CG GLU A 15 9.521 -6.737 8.284 1.00 0.00 C ATOM 226 CD GLU A 15 10.723 -7.103 9.134 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.542 -7.342 10.346 1.00 0.00 O ATOM 228 OE2 GLU A 15 11.846 -7.151 8.587 1.00 0.00 O ATOM 0 H GLU A 15 6.017 -8.938 6.525 1.00 0.00 H new ATOM 0 HA GLU A 15 6.763 -6.594 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.141 -8.025 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.912 -8.750 7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.849 -6.538 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.080 -5.815 8.662 1.00 0.00 H new ATOM 235 N ASP A 16 7.697 -8.240 5.161 1.00 0.00 N ATOM 236 CA ASP A 16 8.096 -8.103 3.767 1.00 0.00 C ATOM 237 C ASP A 16 7.231 -7.074 3.047 1.00 0.00 C ATOM 238 O ASP A 16 7.705 -6.370 2.156 1.00 0.00 O ATOM 239 CB ASP A 16 8.010 -9.453 3.053 1.00 0.00 C ATOM 240 CG ASP A 16 8.953 -10.482 3.651 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.177 -10.236 3.647 1.00 0.00 O ATOM 242 OD2 ASP A 16 8.465 -11.530 4.119 1.00 0.00 O ATOM 0 H ASP A 16 7.442 -9.189 5.436 1.00 0.00 H new ATOM 0 HA ASP A 16 9.129 -7.756 3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.987 -9.826 3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.245 -9.319 1.997 1.00 0.00 H new ATOM 247 N MET A 17 5.964 -6.981 3.441 1.00 0.00 N ATOM 248 CA MET A 17 5.056 -6.022 2.826 1.00 0.00 C ATOM 249 C MET A 17 5.343 -4.615 3.325 1.00 0.00 C ATOM 250 O MET A 17 5.094 -3.642 2.624 1.00 0.00 O ATOM 251 CB MET A 17 3.593 -6.390 3.093 1.00 0.00 C ATOM 252 CG MET A 17 3.072 -7.560 2.267 1.00 0.00 C ATOM 253 SD MET A 17 4.021 -9.078 2.493 1.00 0.00 S ATOM 254 CE MET A 17 5.267 -8.893 1.223 1.00 0.00 C ATOM 0 H MET A 17 5.547 -7.552 4.176 1.00 0.00 H new ATOM 0 HA MET A 17 5.222 -6.054 1.749 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.480 -6.630 4.150 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.971 -5.517 2.895 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.032 -7.748 2.533 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.087 -7.285 1.212 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.183 -9.395 1.536 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.909 -9.337 0.294 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.470 -7.834 1.064 1.00 0.00 H new ATOM 264 N GLN A 18 5.889 -4.503 4.527 1.00 0.00 N ATOM 265 CA GLN A 18 6.232 -3.199 5.063 1.00 0.00 C ATOM 266 C GLN A 18 7.353 -2.603 4.225 1.00 0.00 C ATOM 267 O GLN A 18 7.294 -1.443 3.813 1.00 0.00 O ATOM 268 CB GLN A 18 6.645 -3.323 6.528 1.00 0.00 C ATOM 269 CG GLN A 18 5.492 -3.730 7.429 1.00 0.00 C ATOM 270 CD GLN A 18 5.939 -4.161 8.808 1.00 0.00 C ATOM 271 OE1 GLN A 18 6.636 -3.428 9.510 1.00 0.00 O ATOM 272 NE2 GLN A 18 5.523 -5.355 9.205 1.00 0.00 N ATOM 0 H GLN A 18 6.101 -5.289 5.141 1.00 0.00 H new ATOM 0 HA GLN A 18 5.366 -2.538 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.445 -4.058 6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.049 -2.370 6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.800 -2.893 7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.943 -4.547 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.947 -5.926 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.779 -5.703 10.129 1.00 0.00 H new ATOM 281 N GLN A 19 8.363 -3.423 3.946 1.00 0.00 N ATOM 282 CA GLN A 19 9.489 -2.990 3.134 1.00 0.00 C ATOM 283 C GLN A 19 9.139 -3.032 1.650 1.00 0.00 C ATOM 284 O GLN A 19 9.623 -2.210 0.867 1.00 0.00 O ATOM 285 CB GLN A 19 10.715 -3.864 3.407 1.00 0.00 C ATOM 286 CG GLN A 19 11.202 -3.800 4.845 1.00 0.00 C ATOM 287 CD GLN A 19 12.433 -4.653 5.082 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.475 -4.445 4.461 1.00 0.00 O ATOM 289 NE2 GLN A 19 12.319 -5.621 5.984 1.00 0.00 N ATOM 0 H GLN A 19 8.422 -4.388 4.271 1.00 0.00 H new ATOM 0 HA GLN A 19 9.722 -1.960 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.476 -4.898 3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.524 -3.557 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.426 -2.765 5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.403 -4.128 5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.436 -5.758 6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.114 -6.227 6.185 1.00 0.00 H new ATOM 298 N ASP A 20 8.291 -3.983 1.261 1.00 0.00 N ATOM 299 CA ASP A 20 7.893 -4.106 -0.132 1.00 0.00 C ATOM 300 C ASP A 20 6.948 -2.975 -0.506 1.00 0.00 C ATOM 301 O ASP A 20 7.150 -2.291 -1.505 1.00 0.00 O ATOM 302 CB ASP A 20 7.228 -5.460 -0.385 1.00 0.00 C ATOM 303 CG ASP A 20 6.885 -5.674 -1.848 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.124 -4.751 -2.656 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.376 -6.764 -2.185 1.00 0.00 O ATOM 0 H ASP A 20 7.872 -4.671 1.887 1.00 0.00 H new ATOM 0 HA ASP A 20 8.785 -4.041 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.893 -6.256 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.319 -5.532 0.212 1.00 0.00 H new ATOM 310 N ALA A 21 5.923 -2.781 0.313 1.00 0.00 N ATOM 311 CA ALA A 21 4.943 -1.729 0.082 1.00 0.00 C ATOM 312 C ALA A 21 5.608 -0.359 0.046 1.00 0.00 C ATOM 313 O ALA A 21 5.368 0.426 -0.870 1.00 0.00 O ATOM 314 CB ALA A 21 3.862 -1.765 1.152 1.00 0.00 C ATOM 0 H ALA A 21 5.748 -3.342 1.147 1.00 0.00 H new ATOM 0 HA ALA A 21 4.481 -1.907 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.138 -0.972 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.357 -2.731 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.315 -1.618 2.132 1.00 0.00 H new ATOM 320 N VAL A 22 6.448 -0.068 1.041 1.00 0.00 N ATOM 321 CA VAL A 22 7.136 1.219 1.088 1.00 0.00 C ATOM 322 C VAL A 22 7.912 1.469 -0.201 1.00 0.00 C ATOM 323 O VAL A 22 7.742 2.504 -0.846 1.00 0.00 O ATOM 324 CB VAL A 22 8.091 1.317 2.297 1.00 0.00 C ATOM 325 CG1 VAL A 22 8.880 2.619 2.263 1.00 0.00 C ATOM 326 CG2 VAL A 22 7.313 1.202 3.598 1.00 0.00 C ATOM 0 H VAL A 22 6.665 -0.697 1.814 1.00 0.00 H new ATOM 0 HA VAL A 22 6.368 1.985 1.198 1.00 0.00 H new ATOM 0 HB VAL A 22 8.798 0.490 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.545 2.664 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.469 2.663 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.191 3.463 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.001 1.273 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.582 2.008 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.798 0.242 3.630 1.00 0.00 H new ATOM 336 N ASP A 23 8.758 0.516 -0.582 1.00 0.00 N ATOM 337 CA ASP A 23 9.539 0.651 -1.806 1.00 0.00 C ATOM 338 C ASP A 23 8.650 0.496 -3.029 1.00 0.00 C ATOM 339 O ASP A 23 8.957 1.014 -4.101 1.00 0.00 O ATOM 340 CB ASP A 23 10.673 -0.376 -1.840 1.00 0.00 C ATOM 341 CG ASP A 23 11.632 -0.220 -0.674 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.415 0.686 0.160 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.602 -1.004 -0.595 1.00 0.00 O ATOM 0 H ASP A 23 8.919 -0.349 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 23 9.977 1.649 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.250 -1.380 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.223 -0.274 -2.775 1.00 0.00 H new ATOM 348 N CYS A 24 7.532 -0.198 -2.862 1.00 0.00 N ATOM 349 CA CYS A 24 6.590 -0.384 -3.953 1.00 0.00 C ATOM 350 C CYS A 24 5.863 0.927 -4.208 1.00 0.00 C ATOM 351 O CYS A 24 5.532 1.260 -5.347 1.00 0.00 O ATOM 352 CB CYS A 24 5.599 -1.501 -3.622 1.00 0.00 C ATOM 353 SG CYS A 24 4.521 -1.959 -4.994 1.00 0.00 S ATOM 0 H CYS A 24 7.258 -0.639 -1.984 1.00 0.00 H new ATOM 0 HA CYS A 24 7.129 -0.677 -4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.155 -2.382 -3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.983 -1.188 -2.779 1.00 0.00 H new ATOM 0 HG CYS A 24 5.140 -2.797 -5.771 1.00 0.00 H new ATOM 359 N ALA A 25 5.653 1.688 -3.136 1.00 0.00 N ATOM 360 CA ALA A 25 5.003 2.983 -3.235 1.00 0.00 C ATOM 361 C ALA A 25 6.005 4.032 -3.706 1.00 0.00 C ATOM 362 O ALA A 25 5.635 5.016 -4.346 1.00 0.00 O ATOM 363 CB ALA A 25 4.397 3.380 -1.894 1.00 0.00 C ATOM 0 H ALA A 25 5.926 1.425 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 25 4.196 2.918 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.914 4.353 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.659 2.636 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.184 3.436 -1.141 1.00 0.00 H new ATOM 369 N THR A 26 7.285 3.802 -3.403 1.00 0.00 N ATOM 370 CA THR A 26 8.339 4.719 -3.813 1.00 0.00 C ATOM 371 C THR A 26 8.666 4.501 -5.281 1.00 0.00 C ATOM 372 O THR A 26 8.772 5.453 -6.056 1.00 0.00 O ATOM 373 CB THR A 26 9.590 4.515 -2.957 1.00 0.00 C ATOM 374 OG1 THR A 26 9.302 4.736 -1.588 1.00 0.00 O ATOM 375 CG2 THR A 26 10.733 5.432 -3.338 1.00 0.00 C ATOM 0 H THR A 26 7.611 2.991 -2.877 1.00 0.00 H new ATOM 0 HA THR A 26 7.990 5.742 -3.672 1.00 0.00 H new ATOM 0 HB THR A 26 9.897 3.484 -3.136 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.741 4.007 -1.250 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.588 5.235 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.013 5.252 -4.376 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.421 6.470 -3.221 1.00 0.00 H new ATOM 383 N GLN A 27 8.805 3.235 -5.660 1.00 0.00 N ATOM 384 CA GLN A 27 9.100 2.878 -7.041 1.00 0.00 C ATOM 385 C GLN A 27 7.878 3.110 -7.921 1.00 0.00 C ATOM 386 O GLN A 27 8.002 3.321 -9.127 1.00 0.00 O ATOM 387 CB GLN A 27 9.546 1.419 -7.134 1.00 0.00 C ATOM 388 CG GLN A 27 10.851 1.132 -6.402 1.00 0.00 C ATOM 389 CD GLN A 27 11.282 -0.328 -6.472 1.00 0.00 C ATOM 390 OE1 GLN A 27 12.322 -0.697 -5.926 1.00 0.00 O ATOM 391 NE2 GLN A 27 10.496 -1.169 -7.144 1.00 0.00 N ATOM 0 H GLN A 27 8.718 2.439 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 27 9.912 3.513 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.762 0.781 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.661 1.149 -8.184 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.639 1.755 -6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.742 1.420 -5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.641 -0.827 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.749 -2.154 -7.218 1.00 0.00 H new ATOM 400 N ALA A 28 6.696 3.073 -7.309 1.00 0.00 N ATOM 401 CA ALA A 28 5.455 3.283 -8.042 1.00 0.00 C ATOM 402 C ALA A 28 5.249 4.759 -8.365 1.00 0.00 C ATOM 403 O ALA A 28 4.823 5.110 -9.465 1.00 0.00 O ATOM 404 CB ALA A 28 4.274 2.746 -7.248 1.00 0.00 C ATOM 0 H ALA A 28 6.574 2.900 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 28 5.524 2.738 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.354 2.910 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.408 1.678 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.213 3.264 -6.291 1.00 0.00 H new ATOM 410 N MET A 29 5.546 5.624 -7.397 1.00 0.00 N ATOM 411 CA MET A 29 5.382 7.063 -7.583 1.00 0.00 C ATOM 412 C MET A 29 6.480 7.646 -8.468 1.00 0.00 C ATOM 413 O MET A 29 6.258 8.631 -9.171 1.00 0.00 O ATOM 414 CB MET A 29 5.364 7.778 -6.232 1.00 0.00 C ATOM 415 CG MET A 29 4.158 7.429 -5.375 1.00 0.00 C ATOM 416 SD MET A 29 4.185 8.249 -3.769 1.00 0.00 S ATOM 417 CE MET A 29 4.203 9.970 -4.269 1.00 0.00 C ATOM 0 H MET A 29 5.900 5.354 -6.479 1.00 0.00 H new ATOM 0 HA MET A 29 4.427 7.221 -8.085 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.273 7.527 -5.685 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.381 8.855 -6.400 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.248 7.708 -5.905 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.123 6.350 -5.227 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.599 10.556 -3.576 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.228 10.341 -4.261 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.793 10.061 -5.275 1.00 0.00 H new ATOM 427 N GLU A 30 7.664 7.043 -8.438 1.00 0.00 N ATOM 428 CA GLU A 30 8.772 7.524 -9.253 1.00 0.00 C ATOM 429 C GLU A 30 8.653 6.983 -10.671 1.00 0.00 C ATOM 430 O GLU A 30 8.852 7.709 -11.645 1.00 0.00 O ATOM 431 CB GLU A 30 10.116 7.117 -8.645 1.00 0.00 C ATOM 432 CG GLU A 30 10.365 5.622 -8.652 1.00 0.00 C ATOM 433 CD GLU A 30 11.715 5.257 -8.061 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.743 5.678 -8.629 1.00 0.00 O ATOM 435 OE2 GLU A 30 11.742 4.558 -7.025 1.00 0.00 O ATOM 0 H GLU A 30 7.879 6.228 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 30 8.727 8.613 -9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.917 7.612 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.164 7.479 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.577 5.123 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.307 5.252 -9.676 1.00 0.00 H new ATOM 442 N LYS A 31 8.315 5.703 -10.776 1.00 0.00 N ATOM 443 CA LYS A 31 8.156 5.060 -12.073 1.00 0.00 C ATOM 444 C LYS A 31 6.834 5.467 -12.720 1.00 0.00 C ATOM 445 O LYS A 31 6.673 5.369 -13.937 1.00 0.00 O ATOM 446 CB LYS A 31 8.218 3.539 -11.924 1.00 0.00 C ATOM 447 CG LYS A 31 8.088 2.793 -13.241 1.00 0.00 C ATOM 448 CD LYS A 31 8.161 1.288 -13.037 1.00 0.00 C ATOM 449 CE LYS A 31 8.039 0.541 -14.355 1.00 0.00 C ATOM 450 NZ LYS A 31 9.123 0.911 -15.306 1.00 0.00 N ATOM 0 H LYS A 31 8.146 5.091 -9.978 1.00 0.00 H new ATOM 0 HA LYS A 31 8.973 5.387 -12.717 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.163 3.267 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.423 3.215 -11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.141 3.052 -13.715 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.881 3.108 -13.919 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.105 1.030 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.365 0.972 -12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.071 -0.532 -14.168 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.071 0.757 -14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.139 0.233 -16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.950 1.868 -15.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.039 0.891 -14.814 1.00 0.00 H new ATOM 464 N TYR A 32 5.887 5.926 -11.900 1.00 0.00 N ATOM 465 CA TYR A 32 4.582 6.346 -12.405 1.00 0.00 C ATOM 466 C TYR A 32 3.959 7.403 -11.497 1.00 0.00 C ATOM 467 O TYR A 32 4.354 7.552 -10.342 1.00 0.00 O ATOM 468 CB TYR A 32 3.646 5.140 -12.524 1.00 0.00 C ATOM 469 CG TYR A 32 4.118 4.100 -13.512 1.00 0.00 C ATOM 470 CD1 TYR A 32 4.280 4.411 -14.856 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.405 2.803 -13.101 1.00 0.00 C ATOM 472 CE1 TYR A 32 4.711 3.461 -15.763 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.837 1.848 -14.001 1.00 0.00 C ATOM 474 CZ TYR A 32 4.989 2.183 -15.331 1.00 0.00 C ATOM 475 OH TYR A 32 5.418 1.233 -16.229 1.00 0.00 O ATOM 0 H TYR A 32 5.999 6.015 -10.890 1.00 0.00 H new ATOM 0 HA TYR A 32 4.726 6.784 -13.393 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.540 4.675 -11.544 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.656 5.487 -12.821 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.065 5.413 -15.198 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.288 2.538 -12.061 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.829 3.720 -16.805 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.055 0.845 -13.665 1.00 0.00 H new ATOM 0 HH TYR A 32 5.915 1.668 -16.953 1.00 0.00 H new ATOM 485 N ASN A 33 2.985 8.137 -12.030 1.00 0.00 N ATOM 486 CA ASN A 33 2.309 9.182 -11.266 1.00 0.00 C ATOM 487 C ASN A 33 0.829 9.274 -11.627 1.00 0.00 C ATOM 488 O ASN A 33 0.181 10.286 -11.359 1.00 0.00 O ATOM 489 CB ASN A 33 2.984 10.533 -11.513 1.00 0.00 C ATOM 490 CG ASN A 33 4.423 10.560 -11.035 1.00 0.00 C ATOM 491 OD1 ASN A 33 4.695 10.399 -9.847 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.351 10.765 -11.963 1.00 0.00 N ATOM 0 H ASN A 33 2.647 8.028 -12.986 1.00 0.00 H new ATOM 0 HA ASN A 33 2.384 8.921 -10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.954 10.761 -12.579 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.421 11.315 -11.004 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.336 10.794 -11.701 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.078 10.894 -12.937 1.00 0.00 H new ATOM 499 N ILE A 34 0.294 8.219 -12.237 1.00 0.00 N ATOM 500 CA ILE A 34 -1.110 8.200 -12.630 1.00 0.00 C ATOM 501 C ILE A 34 -2.022 7.977 -11.426 1.00 0.00 C ATOM 502 O ILE A 34 -3.234 8.172 -11.518 1.00 0.00 O ATOM 503 CB ILE A 34 -1.385 7.096 -13.667 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.363 7.166 -14.800 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.799 7.230 -14.216 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.426 8.452 -15.596 1.00 0.00 C ATOM 0 H ILE A 34 0.810 7.370 -12.468 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.324 9.174 -13.070 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.293 6.126 -13.178 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.638 7.056 -14.382 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.522 6.324 -15.473 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.981 6.443 -14.948 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.516 7.139 -13.400 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.913 8.203 -14.693 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.328 8.430 -16.383 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.415 8.555 -16.044 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.237 9.298 -14.936 1.00 0.00 H new ATOM 518 N GLU A 35 -1.438 7.559 -10.302 1.00 0.00 N ATOM 519 CA GLU A 35 -2.198 7.296 -9.079 1.00 0.00 C ATOM 520 C GLU A 35 -2.972 5.986 -9.194 1.00 0.00 C ATOM 521 O GLU A 35 -2.845 5.102 -8.347 1.00 0.00 O ATOM 522 CB GLU A 35 -3.158 8.449 -8.769 1.00 0.00 C ATOM 523 CG GLU A 35 -2.470 9.801 -8.660 1.00 0.00 C ATOM 524 CD GLU A 35 -3.439 10.929 -8.356 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.651 10.655 -8.234 1.00 0.00 O ATOM 526 OE2 GLU A 35 -2.983 12.086 -8.240 1.00 0.00 O ATOM 0 H GLU A 35 -0.435 7.395 -10.213 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.486 7.211 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.917 8.499 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.676 8.238 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.713 9.757 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.950 10.016 -9.594 1.00 0.00 H new ATOM 533 N LYS A 36 -3.770 5.864 -10.249 1.00 0.00 N ATOM 534 CA LYS A 36 -4.559 4.661 -10.481 1.00 0.00 C ATOM 535 C LYS A 36 -3.655 3.494 -10.856 1.00 0.00 C ATOM 536 O LYS A 36 -3.644 2.462 -10.183 1.00 0.00 O ATOM 537 CB LYS A 36 -5.574 4.907 -11.594 1.00 0.00 C ATOM 538 CG LYS A 36 -6.472 6.107 -11.344 1.00 0.00 C ATOM 539 CD LYS A 36 -7.371 6.388 -12.537 1.00 0.00 C ATOM 540 CE LYS A 36 -6.564 6.728 -13.779 1.00 0.00 C ATOM 541 NZ LYS A 36 -5.690 7.915 -13.567 1.00 0.00 N ATOM 0 H LYS A 36 -3.887 6.587 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.089 4.413 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.042 5.052 -12.534 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.194 4.018 -11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.084 5.927 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.859 6.984 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.996 5.517 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.042 7.214 -12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.951 5.871 -14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.242 6.920 -14.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.132 8.093 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.279 8.747 -13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.048 7.736 -12.768 1.00 0.00 H new ATOM 555 N ASP A 37 -2.889 3.670 -11.929 1.00 0.00 N ATOM 556 CA ASP A 37 -1.970 2.635 -12.386 1.00 0.00 C ATOM 557 C ASP A 37 -1.066 2.189 -11.244 1.00 0.00 C ATOM 558 O ASP A 37 -0.594 1.052 -11.213 1.00 0.00 O ATOM 559 CB ASP A 37 -1.125 3.151 -13.555 1.00 0.00 C ATOM 560 CG ASP A 37 -0.169 2.100 -14.086 1.00 0.00 C ATOM 561 OD1 ASP A 37 0.685 1.626 -13.308 1.00 0.00 O ATOM 562 OD2 ASP A 37 -0.275 1.752 -15.281 1.00 0.00 O ATOM 0 H ASP A 37 -2.887 4.518 -12.496 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.554 1.780 -12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.784 3.478 -14.359 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.558 4.024 -13.232 1.00 0.00 H new ATOM 567 N ILE A 38 -0.841 3.096 -10.298 1.00 0.00 N ATOM 568 CA ILE A 38 -0.009 2.805 -9.142 1.00 0.00 C ATOM 569 C ILE A 38 -0.607 1.662 -8.330 1.00 0.00 C ATOM 570 O ILE A 38 0.059 0.665 -8.061 1.00 0.00 O ATOM 571 CB ILE A 38 0.143 4.044 -8.236 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.716 5.219 -9.030 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.028 3.729 -7.035 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.091 4.949 -9.600 1.00 0.00 C ATOM 0 H ILE A 38 -1.226 4.040 -10.312 1.00 0.00 H new ATOM 0 HA ILE A 38 0.975 2.517 -9.511 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.845 4.323 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.035 5.463 -9.845 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.765 6.095 -8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.122 4.617 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.580 2.922 -6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.015 3.423 -7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.435 5.825 -10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.786 4.735 -8.788 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.044 4.093 -10.273 1.00 0.00 H new ATOM 586 N ALA A 39 -1.872 1.813 -7.946 1.00 0.00 N ATOM 587 CA ALA A 39 -2.554 0.788 -7.165 1.00 0.00 C ATOM 588 C ALA A 39 -2.562 -0.549 -7.900 1.00 0.00 C ATOM 589 O ALA A 39 -2.614 -1.609 -7.277 1.00 0.00 O ATOM 590 CB ALA A 39 -3.975 1.227 -6.841 1.00 0.00 C ATOM 0 H ALA A 39 -2.442 2.631 -8.162 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.007 0.654 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.471 0.451 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.948 2.152 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.525 1.392 -7.767 1.00 0.00 H new ATOM 596 N ALA A 40 -2.506 -0.492 -9.226 1.00 0.00 N ATOM 597 CA ALA A 40 -2.499 -1.700 -10.038 1.00 0.00 C ATOM 598 C ALA A 40 -1.107 -2.305 -10.091 1.00 0.00 C ATOM 599 O ALA A 40 -0.949 -3.521 -10.045 1.00 0.00 O ATOM 600 CB ALA A 40 -3.006 -1.402 -11.442 1.00 0.00 C ATOM 0 H ALA A 40 -2.465 0.377 -9.759 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.168 -2.426 -9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.994 -2.317 -12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.025 -1.019 -11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.363 -0.657 -11.911 1.00 0.00 H new ATOM 606 N TYR A 41 -0.098 -1.450 -10.175 1.00 0.00 N ATOM 607 CA TYR A 41 1.284 -1.910 -10.220 1.00 0.00 C ATOM 608 C TYR A 41 1.700 -2.474 -8.865 1.00 0.00 C ATOM 609 O TYR A 41 2.560 -3.354 -8.783 1.00 0.00 O ATOM 610 CB TYR A 41 2.215 -0.764 -10.621 1.00 0.00 C ATOM 611 CG TYR A 41 3.670 -1.166 -10.704 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.088 -2.159 -11.581 1.00 0.00 C ATOM 613 CD2 TYR A 41 4.627 -0.553 -9.903 1.00 0.00 C ATOM 614 CE1 TYR A 41 5.416 -2.530 -11.659 1.00 0.00 C ATOM 615 CE2 TYR A 41 5.958 -0.918 -9.976 1.00 0.00 C ATOM 616 CZ TYR A 41 6.347 -1.907 -10.854 1.00 0.00 C ATOM 617 OH TYR A 41 7.672 -2.273 -10.929 1.00 0.00 O ATOM 0 H TYR A 41 -0.209 -0.437 -10.213 1.00 0.00 H new ATOM 0 HA TYR A 41 1.360 -2.700 -10.967 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.899 -0.372 -11.588 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.111 0.046 -9.899 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.362 -2.649 -12.213 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.325 0.221 -9.213 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.724 -3.304 -12.347 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.690 -0.431 -9.348 1.00 0.00 H new ATOM 0 HH TYR A 41 7.863 -2.951 -10.248 1.00 0.00 H new ATOM 627 N ILE A 42 1.068 -1.977 -7.805 1.00 0.00 N ATOM 628 CA ILE A 42 1.358 -2.442 -6.458 1.00 0.00 C ATOM 629 C ILE A 42 0.642 -3.759 -6.213 1.00 0.00 C ATOM 630 O ILE A 42 1.240 -4.729 -5.748 1.00 0.00 O ATOM 631 CB ILE A 42 0.928 -1.407 -5.396 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.671 -0.084 -5.608 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.184 -1.941 -3.994 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.149 1.045 -4.746 1.00 0.00 C ATOM 0 H ILE A 42 0.352 -1.252 -7.856 1.00 0.00 H new ATOM 0 HA ILE A 42 2.435 -2.582 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.141 -1.226 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.730 -0.233 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.593 0.204 -6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.875 -1.198 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.614 -2.858 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.247 -2.150 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.721 1.951 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.098 1.221 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.252 0.778 -3.694 1.00 0.00 H new ATOM 646 N LYS A 43 -0.637 -3.789 -6.562 1.00 0.00 N ATOM 647 CA LYS A 43 -1.435 -4.993 -6.415 1.00 0.00 C ATOM 648 C LYS A 43 -0.886 -6.059 -7.351 1.00 0.00 C ATOM 649 O LYS A 43 -0.818 -7.238 -7.002 1.00 0.00 O ATOM 650 CB LYS A 43 -2.905 -4.686 -6.735 1.00 0.00 C ATOM 651 CG LYS A 43 -3.881 -5.812 -6.400 1.00 0.00 C ATOM 652 CD LYS A 43 -3.752 -7.005 -7.340 1.00 0.00 C ATOM 653 CE LYS A 43 -3.853 -6.591 -8.800 1.00 0.00 C ATOM 654 NZ LYS A 43 -3.784 -7.763 -9.715 1.00 0.00 N ATOM 0 H LYS A 43 -1.142 -2.992 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.383 -5.357 -5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.202 -3.791 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.990 -4.454 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.710 -6.142 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.900 -5.428 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.796 -7.500 -7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.533 -7.731 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.790 -6.058 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.047 -5.897 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.856 -7.439 -10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.879 -8.257 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.568 -8.413 -9.506 1.00 0.00 H new ATOM 668 N LYS A 44 -0.475 -5.627 -8.542 1.00 0.00 N ATOM 669 CA LYS A 44 0.083 -6.537 -9.531 1.00 0.00 C ATOM 670 C LYS A 44 1.287 -7.286 -8.971 1.00 0.00 C ATOM 671 O LYS A 44 1.308 -8.517 -8.949 1.00 0.00 O ATOM 672 CB LYS A 44 0.492 -5.771 -10.790 1.00 0.00 C ATOM 673 CG LYS A 44 0.904 -6.675 -11.932 1.00 0.00 C ATOM 674 CD LYS A 44 -0.235 -7.599 -12.316 1.00 0.00 C ATOM 675 CE LYS A 44 0.139 -8.493 -13.488 1.00 0.00 C ATOM 676 NZ LYS A 44 0.484 -7.702 -14.701 1.00 0.00 N ATOM 0 H LYS A 44 -0.519 -4.653 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.688 -7.264 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.340 -5.145 -11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.318 -5.103 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.198 -6.073 -12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.775 -7.263 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.508 -8.216 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.113 -7.007 -12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.986 -9.120 -13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.692 -9.161 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.501 -8.329 -15.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.228 -6.957 -14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.420 -7.267 -14.577 1.00 0.00 H new ATOM 690 N GLU A 45 2.295 -6.539 -8.520 1.00 0.00 N ATOM 691 CA GLU A 45 3.500 -7.148 -7.964 1.00 0.00 C ATOM 692 C GLU A 45 3.160 -8.106 -6.825 1.00 0.00 C ATOM 693 O GLU A 45 3.595 -9.258 -6.824 1.00 0.00 O ATOM 694 CB GLU A 45 4.469 -6.070 -7.478 1.00 0.00 C ATOM 695 CG GLU A 45 5.052 -5.229 -8.602 1.00 0.00 C ATOM 696 CD GLU A 45 6.033 -4.185 -8.104 1.00 0.00 C ATOM 697 OE1 GLU A 45 5.623 -3.315 -7.309 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.214 -4.239 -8.509 1.00 0.00 O ATOM 0 H GLU A 45 2.300 -5.519 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 45 3.980 -7.722 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.951 -5.416 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.283 -6.544 -6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.554 -5.882 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.242 -4.734 -9.138 1.00 0.00 H new ATOM 705 N PHE A 46 2.376 -7.631 -5.862 1.00 0.00 N ATOM 706 CA PHE A 46 1.979 -8.460 -4.728 1.00 0.00 C ATOM 707 C PHE A 46 1.152 -9.659 -5.186 1.00 0.00 C ATOM 708 O PHE A 46 1.110 -10.688 -4.512 1.00 0.00 O ATOM 709 CB PHE A 46 1.183 -7.639 -3.711 1.00 0.00 C ATOM 710 CG PHE A 46 2.026 -6.689 -2.909 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.058 -7.164 -2.112 1.00 0.00 C ATOM 712 CD2 PHE A 46 1.785 -5.326 -2.940 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.832 -6.296 -1.368 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.558 -4.453 -2.196 1.00 0.00 C ATOM 715 CZ PHE A 46 3.583 -4.940 -1.409 1.00 0.00 C ATOM 0 H PHE A 46 2.004 -6.681 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 46 2.889 -8.828 -4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.414 -7.073 -4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.670 -8.319 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.258 -8.225 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.984 -4.940 -3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.633 -6.679 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.360 -3.392 -2.231 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.188 -4.261 -0.827 1.00 0.00 H new ATOM 725 N ASP A 47 0.493 -9.520 -6.333 1.00 0.00 N ATOM 726 CA ASP A 47 -0.334 -10.593 -6.873 1.00 0.00 C ATOM 727 C ASP A 47 0.497 -11.559 -7.715 1.00 0.00 C ATOM 728 O ASP A 47 0.142 -12.728 -7.864 1.00 0.00 O ATOM 729 CB ASP A 47 -1.471 -10.010 -7.715 1.00 0.00 C ATOM 730 CG ASP A 47 -2.372 -11.081 -8.296 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.958 -11.854 -7.510 1.00 0.00 O ATOM 732 OD2 ASP A 47 -2.493 -11.147 -9.537 1.00 0.00 O ATOM 0 H ASP A 47 0.516 -8.676 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.756 -11.148 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.065 -9.335 -7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.050 -9.415 -8.526 1.00 0.00 H new ATOM 737 N LYS A 48 1.598 -11.062 -8.268 1.00 0.00 N ATOM 738 CA LYS A 48 2.473 -11.884 -9.100 1.00 0.00 C ATOM 739 C LYS A 48 3.553 -12.572 -8.265 1.00 0.00 C ATOM 740 O LYS A 48 4.176 -13.532 -8.718 1.00 0.00 O ATOM 741 CB LYS A 48 3.123 -11.027 -10.187 1.00 0.00 C ATOM 742 CG LYS A 48 4.041 -11.811 -11.112 1.00 0.00 C ATOM 743 CD LYS A 48 4.682 -10.912 -12.157 1.00 0.00 C ATOM 744 CE LYS A 48 3.636 -10.244 -13.035 1.00 0.00 C ATOM 745 NZ LYS A 48 4.254 -9.369 -14.070 1.00 0.00 N ATOM 0 H LYS A 48 1.906 -10.096 -8.156 1.00 0.00 H new ATOM 0 HA LYS A 48 1.861 -12.657 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.341 -10.553 -10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.693 -10.227 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.819 -12.300 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.473 -12.598 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.284 -10.150 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.358 -11.499 -12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.029 -11.008 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.965 -9.652 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.507 -8.933 -14.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.813 -8.624 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.875 -9.938 -14.680 1.00 0.00 H new ATOM 759 N LYS A 49 3.778 -12.077 -7.052 1.00 0.00 N ATOM 760 CA LYS A 49 4.791 -12.650 -6.172 1.00 0.00 C ATOM 761 C LYS A 49 4.160 -13.538 -5.102 1.00 0.00 C ATOM 762 O LYS A 49 4.445 -14.733 -5.029 1.00 0.00 O ATOM 763 CB LYS A 49 5.608 -11.539 -5.511 1.00 0.00 C ATOM 764 CG LYS A 49 6.360 -10.666 -6.501 1.00 0.00 C ATOM 765 CD LYS A 49 7.162 -9.583 -5.794 1.00 0.00 C ATOM 766 CE LYS A 49 8.196 -10.183 -4.853 1.00 0.00 C ATOM 767 NZ LYS A 49 9.154 -11.069 -5.570 1.00 0.00 N ATOM 0 H LYS A 49 3.274 -11.283 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 49 5.450 -13.268 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.941 -10.912 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.321 -11.987 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.030 -11.285 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.653 -10.205 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.661 -8.956 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.488 -8.937 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.744 -9.381 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.690 -10.752 -4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.954 -11.294 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.673 -11.949 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.505 -10.584 -6.420 1.00 0.00 H new ATOM 781 N TYR A 50 3.310 -12.946 -4.269 1.00 0.00 N ATOM 782 CA TYR A 50 2.650 -13.689 -3.200 1.00 0.00 C ATOM 783 C TYR A 50 1.302 -14.248 -3.652 1.00 0.00 C ATOM 784 O TYR A 50 0.492 -14.669 -2.827 1.00 0.00 O ATOM 785 CB TYR A 50 2.459 -12.796 -1.972 1.00 0.00 C ATOM 786 CG TYR A 50 3.757 -12.339 -1.345 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.660 -11.560 -2.058 1.00 0.00 C ATOM 788 CD2 TYR A 50 4.082 -12.691 -0.042 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.849 -11.143 -1.489 1.00 0.00 C ATOM 790 CE2 TYR A 50 5.268 -12.278 0.535 1.00 0.00 C ATOM 791 CZ TYR A 50 6.147 -11.505 -0.192 1.00 0.00 C ATOM 792 OH TYR A 50 7.331 -11.094 0.378 1.00 0.00 O ATOM 0 H TYR A 50 3.062 -11.957 -4.313 1.00 0.00 H new ATOM 0 HA TYR A 50 3.292 -14.530 -2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.876 -11.921 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.877 -13.338 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.429 -11.275 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.396 -13.298 0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.540 -10.538 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.505 -12.560 1.550 1.00 0.00 H new ATOM 0 HH TYR A 50 7.387 -11.433 1.296 1.00 0.00 H new ATOM 802 N ASN A 51 1.067 -14.257 -4.963 1.00 0.00 N ATOM 803 CA ASN A 51 -0.184 -14.771 -5.508 1.00 0.00 C ATOM 804 C ASN A 51 -1.379 -13.987 -4.966 1.00 0.00 C ATOM 805 O ASN A 51 -1.295 -13.368 -3.907 1.00 0.00 O ATOM 806 CB ASN A 51 -0.336 -16.254 -5.166 1.00 0.00 C ATOM 807 CG ASN A 51 0.788 -17.098 -5.738 1.00 0.00 C ATOM 808 OD1 ASN A 51 0.994 -17.137 -6.950 1.00 0.00 O ATOM 809 ND2 ASN A 51 1.521 -17.779 -4.864 1.00 0.00 N ATOM 0 H ASN A 51 1.725 -13.915 -5.664 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.158 -14.652 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.361 -16.373 -4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.290 -16.616 -5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.290 -18.364 -5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.314 -17.717 -3.867 1.00 0.00 H new ATOM 816 N PRO A 52 -2.513 -14.003 -5.690 1.00 0.00 N ATOM 817 CA PRO A 52 -3.724 -13.292 -5.273 1.00 0.00 C ATOM 818 C PRO A 52 -4.202 -13.734 -3.889 1.00 0.00 C ATOM 819 O PRO A 52 -3.665 -14.685 -3.323 1.00 0.00 O ATOM 820 CB PRO A 52 -4.760 -13.664 -6.343 1.00 0.00 C ATOM 821 CG PRO A 52 -4.198 -14.857 -7.040 1.00 0.00 C ATOM 822 CD PRO A 52 -2.707 -14.713 -6.964 1.00 0.00 C ATOM 0 HA PRO A 52 -3.554 -12.218 -5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.726 -13.891 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.919 -12.841 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.526 -15.780 -6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.534 -14.898 -8.076 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.206 -15.681 -6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.312 -14.146 -7.807 1.00 0.00 H new ATOM 830 N THR A 53 -5.212 -13.048 -3.336 1.00 0.00 N ATOM 831 CA THR A 53 -5.863 -11.913 -3.995 1.00 0.00 C ATOM 832 C THR A 53 -5.789 -10.665 -3.123 1.00 0.00 C ATOM 833 O THR A 53 -6.530 -10.529 -2.151 1.00 0.00 O ATOM 834 CB THR A 53 -7.324 -12.246 -4.299 1.00 0.00 C ATOM 835 OG1 THR A 53 -7.962 -11.159 -4.945 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.132 -12.583 -3.064 1.00 0.00 C ATOM 0 H THR A 53 -5.599 -13.267 -2.418 1.00 0.00 H new ATOM 0 HA THR A 53 -5.338 -11.716 -4.930 1.00 0.00 H new ATOM 0 HB THR A 53 -7.291 -13.125 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.895 -11.392 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.159 -12.809 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.695 -13.450 -2.568 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.125 -11.733 -2.382 1.00 0.00 H new ATOM 844 N TRP A 54 -4.889 -9.753 -3.480 1.00 0.00 N ATOM 845 CA TRP A 54 -4.722 -8.513 -2.730 1.00 0.00 C ATOM 846 C TRP A 54 -5.397 -7.353 -3.461 1.00 0.00 C ATOM 847 O TRP A 54 -6.120 -7.557 -4.435 1.00 0.00 O ATOM 848 CB TRP A 54 -3.233 -8.188 -2.546 1.00 0.00 C ATOM 849 CG TRP A 54 -2.400 -9.332 -2.044 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.286 -10.573 -2.604 1.00 0.00 C ATOM 851 CD2 TRP A 54 -1.541 -9.330 -0.896 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.413 -11.343 -1.873 1.00 0.00 N ATOM 853 CE2 TRP A 54 -0.942 -10.602 -0.820 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.219 -8.376 0.076 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.039 -10.943 0.187 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.325 -8.718 1.074 1.00 0.00 C ATOM 857 CH2 TRP A 54 0.256 -9.989 1.123 1.00 0.00 C ATOM 0 H TRP A 54 -4.266 -9.849 -4.282 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.185 -8.648 -1.753 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.827 -7.852 -3.500 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.140 -7.355 -1.849 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.806 -10.901 -3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.157 -12.308 -2.080 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.661 -7.391 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.411 -11.924 0.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.071 -7.990 1.830 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.952 -10.223 1.915 1.00 0.00 H new ATOM 868 N HIS A 55 -5.140 -6.135 -2.988 1.00 0.00 N ATOM 869 CA HIS A 55 -5.704 -4.932 -3.597 1.00 0.00 C ATOM 870 C HIS A 55 -5.273 -3.694 -2.817 1.00 0.00 C ATOM 871 O HIS A 55 -6.053 -3.122 -2.055 1.00 0.00 O ATOM 872 CB HIS A 55 -7.231 -5.011 -3.649 1.00 0.00 C ATOM 873 CG HIS A 55 -7.869 -3.827 -4.308 1.00 0.00 C ATOM 874 ND1 HIS A 55 -7.605 -3.458 -5.610 1.00 0.00 N ATOM 875 CD2 HIS A 55 -8.762 -2.925 -3.836 1.00 0.00 C ATOM 876 CE1 HIS A 55 -8.309 -2.380 -5.911 1.00 0.00 C ATOM 877 NE2 HIS A 55 -9.019 -2.038 -4.851 1.00 0.00 N ATOM 0 H HIS A 55 -4.542 -5.955 -2.181 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.328 -4.860 -4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.522 -5.915 -4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.617 -5.103 -2.634 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.192 -2.907 -2.845 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.304 -1.867 -6.861 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.656 -1.243 -4.796 1.00 0.00 H new ATOM 886 N CYS A 56 -4.023 -3.292 -3.011 1.00 0.00 N ATOM 887 CA CYS A 56 -3.473 -2.129 -2.323 1.00 0.00 C ATOM 888 C CYS A 56 -4.193 -0.850 -2.731 1.00 0.00 C ATOM 889 O CYS A 56 -4.652 -0.716 -3.866 1.00 0.00 O ATOM 890 CB CYS A 56 -1.978 -2.004 -2.620 1.00 0.00 C ATOM 891 SG CYS A 56 -1.172 -0.611 -1.797 1.00 0.00 S ATOM 0 H CYS A 56 -3.369 -3.756 -3.641 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.620 -2.271 -1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.481 -2.926 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.840 -1.904 -3.697 1.00 0.00 H new ATOM 0 HG CYS A 56 0.000 -0.978 -1.371 1.00 0.00 H new ATOM 897 N ILE A 57 -4.282 0.096 -1.798 1.00 0.00 N ATOM 898 CA ILE A 57 -4.937 1.372 -2.059 1.00 0.00 C ATOM 899 C ILE A 57 -3.936 2.508 -1.996 1.00 0.00 C ATOM 900 O ILE A 57 -2.996 2.472 -1.203 1.00 0.00 O ATOM 901 CB ILE A 57 -6.055 1.660 -1.043 1.00 0.00 C ATOM 902 CG1 ILE A 57 -6.940 0.437 -0.866 1.00 0.00 C ATOM 903 CG2 ILE A 57 -6.886 2.860 -1.473 1.00 0.00 C ATOM 904 CD1 ILE A 57 -7.465 -0.133 -2.166 1.00 0.00 C ATOM 0 H ILE A 57 -3.908 0.001 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.370 1.302 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.590 1.895 -0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.375 -0.335 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.784 0.701 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.670 3.042 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.245 3.739 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.339 2.660 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.088 -1.003 -1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.058 0.622 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.628 -0.430 -2.798 1.00 0.00 H new ATOM 916 N VAL A 58 -4.153 3.519 -2.825 1.00 0.00 N ATOM 917 CA VAL A 58 -3.276 4.682 -2.863 1.00 0.00 C ATOM 918 C VAL A 58 -4.089 5.973 -2.859 1.00 0.00 C ATOM 919 O VAL A 58 -4.255 6.617 -3.896 1.00 0.00 O ATOM 920 CB VAL A 58 -2.364 4.659 -4.107 1.00 0.00 C ATOM 921 CG1 VAL A 58 -1.410 5.846 -4.098 1.00 0.00 C ATOM 922 CG2 VAL A 58 -1.594 3.350 -4.179 1.00 0.00 C ATOM 0 H VAL A 58 -4.932 3.558 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.652 4.644 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.992 4.736 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.776 5.810 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.983 6.773 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.787 5.805 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.956 3.351 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.978 3.241 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.296 2.518 -4.239 1.00 0.00 H new ATOM 932 N GLY A 59 -4.595 6.345 -1.688 1.00 0.00 N ATOM 933 CA GLY A 59 -5.385 7.557 -1.576 1.00 0.00 C ATOM 934 C GLY A 59 -5.915 7.777 -0.173 1.00 0.00 C ATOM 935 O GLY A 59 -5.342 8.547 0.599 1.00 0.00 O ATOM 0 H GLY A 59 -4.472 5.830 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.776 8.412 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.221 7.507 -2.273 1.00 0.00 H new ATOM 939 N ARG A 60 -7.010 7.103 0.159 1.00 0.00 N ATOM 940 CA ARG A 60 -7.610 7.234 1.481 1.00 0.00 C ATOM 941 C ARG A 60 -8.160 5.898 1.975 1.00 0.00 C ATOM 942 O ARG A 60 -7.521 5.210 2.769 1.00 0.00 O ATOM 943 CB ARG A 60 -8.719 8.291 1.459 1.00 0.00 C ATOM 944 CG ARG A 60 -8.222 9.687 1.126 1.00 0.00 C ATOM 945 CD ARG A 60 -9.356 10.699 1.133 1.00 0.00 C ATOM 946 NE ARG A 60 -10.008 10.785 2.438 1.00 0.00 N ATOM 947 CZ ARG A 60 -9.414 11.244 3.538 1.00 0.00 C ATOM 948 NH1 ARG A 60 -8.170 11.707 3.488 1.00 0.00 N ATOM 949 NH2 ARG A 60 -10.070 11.255 4.691 1.00 0.00 N ATOM 0 H ARG A 60 -7.499 6.463 -0.467 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.831 7.553 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.473 7.999 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.209 8.311 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.462 9.986 1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.745 9.680 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.968 11.679 0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.092 10.423 0.378 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.977 10.475 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.663 11.713 2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.722 12.057 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.030 10.912 4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.615 11.607 5.533 1.00 0.00 H new ATOM 963 N ASN A 61 -9.351 5.542 1.508 1.00 0.00 N ATOM 964 CA ASN A 61 -9.984 4.289 1.915 1.00 0.00 C ATOM 965 C ASN A 61 -10.999 3.806 0.882 1.00 0.00 C ATOM 966 O ASN A 61 -11.836 2.954 1.180 1.00 0.00 O ATOM 967 CB ASN A 61 -10.696 4.477 3.262 1.00 0.00 C ATOM 968 CG ASN A 61 -11.981 5.307 3.177 1.00 0.00 C ATOM 969 OD1 ASN A 61 -12.704 5.429 4.166 1.00 0.00 O ATOM 970 ND2 ASN A 61 -12.274 5.897 2.012 1.00 0.00 N ATOM 0 H ASN A 61 -9.897 6.099 0.850 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.198 3.539 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.935 3.497 3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.010 4.958 3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.116 6.466 1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.655 5.777 1.210 1.00 0.00 H new ATOM 977 N PHE A 62 -10.955 4.379 -0.317 1.00 0.00 N ATOM 978 CA PHE A 62 -11.911 4.020 -1.352 1.00 0.00 C ATOM 979 C PHE A 62 -11.968 2.505 -1.553 1.00 0.00 C ATOM 980 O PHE A 62 -12.983 1.965 -1.992 1.00 0.00 O ATOM 981 CB PHE A 62 -11.575 4.724 -2.670 1.00 0.00 C ATOM 982 CG PHE A 62 -10.220 4.383 -3.222 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.941 3.104 -3.680 1.00 0.00 C ATOM 984 CD2 PHE A 62 -9.222 5.343 -3.282 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.695 2.792 -4.190 1.00 0.00 C ATOM 986 CE2 PHE A 62 -7.975 5.036 -3.790 1.00 0.00 C ATOM 987 CZ PHE A 62 -7.711 3.759 -4.244 1.00 0.00 C ATOM 0 H PHE A 62 -10.274 5.087 -0.592 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.896 4.353 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.332 4.466 -3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.632 5.802 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.706 2.343 -3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.422 6.343 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.491 1.793 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.207 5.794 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.736 3.517 -4.641 1.00 0.00 H new ATOM 997 N GLY A 63 -10.875 1.830 -1.220 1.00 0.00 N ATOM 998 CA GLY A 63 -10.817 0.387 -1.356 1.00 0.00 C ATOM 999 C GLY A 63 -10.313 -0.276 -0.090 1.00 0.00 C ATOM 1000 O GLY A 63 -9.374 -1.069 -0.125 1.00 0.00 O ATOM 0 H GLY A 63 -10.024 2.259 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.809 0.004 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.163 0.126 -2.188 1.00 0.00 H new ATOM 1004 N SER A 64 -10.938 0.065 1.033 1.00 0.00 N ATOM 1005 CA SER A 64 -10.555 -0.482 2.329 1.00 0.00 C ATOM 1006 C SER A 64 -11.246 -1.814 2.590 1.00 0.00 C ATOM 1007 O SER A 64 -11.994 -1.963 3.557 1.00 0.00 O ATOM 1008 CB SER A 64 -10.893 0.511 3.442 1.00 0.00 C ATOM 1009 OG SER A 64 -12.282 0.793 3.472 1.00 0.00 O ATOM 0 H SER A 64 -11.717 0.722 1.070 1.00 0.00 H new ATOM 0 HA SER A 64 -9.479 -0.654 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.581 0.104 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.335 1.435 3.291 1.00 0.00 H new ATOM 0 HG SER A 64 -12.781 -0.036 3.625 1.00 0.00 H new ATOM 1015 N TYR A 65 -10.985 -2.785 1.723 1.00 0.00 N ATOM 1016 CA TYR A 65 -11.573 -4.114 1.854 1.00 0.00 C ATOM 1017 C TYR A 65 -10.686 -5.014 2.710 1.00 0.00 C ATOM 1018 O TYR A 65 -10.638 -6.225 2.509 1.00 0.00 O ATOM 1019 CB TYR A 65 -11.759 -4.758 0.479 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.326 -3.827 -0.566 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -13.546 -3.191 -0.375 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -11.637 -3.587 -1.749 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -14.065 -2.342 -1.334 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -12.150 -2.739 -2.713 1.00 0.00 C ATOM 1025 CZ TYR A 65 -13.363 -2.119 -2.500 1.00 0.00 C ATOM 1026 OH TYR A 65 -13.877 -1.275 -3.457 1.00 0.00 O ATOM 0 H TYR A 65 -10.368 -2.677 0.918 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.544 -4.002 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.796 -5.133 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.419 -5.619 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.098 -3.363 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.686 -4.070 -1.918 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.015 -1.856 -1.171 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.604 -2.563 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.259 -1.226 -4.216 1.00 0.00 H new ATOM 1036 N VAL A 66 -9.974 -4.417 3.658 1.00 0.00 N ATOM 1037 CA VAL A 66 -9.077 -5.170 4.532 1.00 0.00 C ATOM 1038 C VAL A 66 -9.743 -6.427 5.089 1.00 0.00 C ATOM 1039 O VAL A 66 -9.472 -7.535 4.631 1.00 0.00 O ATOM 1040 CB VAL A 66 -8.567 -4.304 5.703 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -7.642 -5.110 6.604 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -7.858 -3.064 5.178 1.00 0.00 C ATOM 0 H VAL A 66 -9.999 -3.414 3.843 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.230 -5.469 3.914 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.425 -3.985 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.293 -4.481 7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.183 -5.966 7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.787 -5.461 6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.505 -2.464 6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.009 -3.363 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.552 -2.475 4.578 1.00 0.00 H new ATOM 1052 N THR A 67 -10.600 -6.252 6.083 1.00 0.00 N ATOM 1053 CA THR A 67 -11.289 -7.379 6.707 1.00 0.00 C ATOM 1054 C THR A 67 -11.998 -8.243 5.672 1.00 0.00 C ATOM 1055 O THR A 67 -12.128 -9.453 5.851 1.00 0.00 O ATOM 1056 CB THR A 67 -12.290 -6.880 7.752 1.00 0.00 C ATOM 1057 OG1 THR A 67 -11.635 -6.114 8.747 1.00 0.00 O ATOM 1058 CG2 THR A 67 -13.036 -7.996 8.451 1.00 0.00 C ATOM 0 H THR A 67 -10.837 -5.342 6.477 1.00 0.00 H new ATOM 0 HA THR A 67 -10.537 -7.995 7.199 1.00 0.00 H new ATOM 0 HB THR A 67 -13.009 -6.278 7.197 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.291 -5.802 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.728 -7.571 9.178 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.593 -8.577 7.716 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.325 -8.644 8.963 1.00 0.00 H new ATOM 1066 N HIS A 68 -12.442 -7.626 4.583 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.121 -8.362 3.523 1.00 0.00 C ATOM 1068 C HIS A 68 -12.228 -9.490 3.006 1.00 0.00 C ATOM 1069 O HIS A 68 -12.710 -10.457 2.415 1.00 0.00 O ATOM 1070 CB HIS A 68 -13.504 -7.426 2.376 1.00 0.00 C ATOM 1071 CG HIS A 68 -14.262 -8.106 1.278 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.475 -8.733 1.475 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -13.973 -8.257 -0.037 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -15.898 -9.238 0.331 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -15.007 -8.963 -0.602 1.00 0.00 N ATOM 0 H HIS A 68 -12.345 -6.625 4.411 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.033 -8.794 3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.107 -6.608 2.771 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -12.599 -6.983 1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -13.094 -7.891 -0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.818 -9.784 0.184 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.075 -9.231 -1.584 1.00 0.00 H new ATOM 1084 N GLU A 69 -10.923 -9.359 3.243 1.00 0.00 N ATOM 1085 CA GLU A 69 -9.957 -10.363 2.816 1.00 0.00 C ATOM 1086 C GLU A 69 -9.902 -11.508 3.822 1.00 0.00 C ATOM 1087 O GLU A 69 -10.408 -12.602 3.567 1.00 0.00 O ATOM 1088 CB GLU A 69 -8.566 -9.733 2.663 1.00 0.00 C ATOM 1089 CG GLU A 69 -8.229 -9.235 1.260 1.00 0.00 C ATOM 1090 CD GLU A 69 -9.316 -8.385 0.625 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -10.380 -8.207 1.245 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -9.102 -7.904 -0.509 1.00 0.00 O ATOM 0 H GLU A 69 -10.512 -8.563 3.731 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.273 -10.758 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.485 -8.897 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.817 -10.467 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.308 -8.654 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.034 -10.094 0.618 1.00 0.00 H new ATOM 1099 N THR A 70 -9.290 -11.240 4.969 1.00 0.00 N ATOM 1100 CA THR A 70 -9.168 -12.236 6.029 1.00 0.00 C ATOM 1101 C THR A 70 -8.518 -11.642 7.282 1.00 0.00 C ATOM 1102 O THR A 70 -9.211 -11.177 8.187 1.00 0.00 O ATOM 1103 CB THR A 70 -8.382 -13.455 5.528 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.012 -14.294 6.607 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.126 -13.098 4.761 1.00 0.00 C ATOM 0 H THR A 70 -8.869 -10.338 5.190 1.00 0.00 H new ATOM 0 HA THR A 70 -10.171 -12.560 6.305 1.00 0.00 H new ATOM 0 HB THR A 70 -9.060 -13.968 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.733 -15.168 6.261 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.624 -14.011 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.390 -12.502 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.458 -12.524 5.403 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.191 -11.655 7.327 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.449 -11.117 8.458 1.00 0.00 C ATOM 1115 C LYS A 71 -4.989 -10.890 8.076 1.00 0.00 C ATOM 1116 O LYS A 71 -4.101 -10.907 8.928 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.539 -12.071 9.651 1.00 0.00 C ATOM 1118 CG LYS A 71 -6.933 -11.382 10.943 1.00 0.00 C ATOM 1119 CD LYS A 71 -8.304 -10.739 10.822 1.00 0.00 C ATOM 1120 CE LYS A 71 -8.706 -10.035 12.108 1.00 0.00 C ATOM 1121 NZ LYS A 71 -10.052 -9.407 12.000 1.00 0.00 N ATOM 0 H LYS A 71 -6.604 -12.036 6.585 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.889 -10.160 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.265 -12.852 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.575 -12.561 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.938 -12.106 11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.192 -10.623 11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.300 -10.023 10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.044 -11.501 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.704 -10.751 12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.967 -9.271 12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.289 -8.937 12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.047 -8.705 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.761 -10.139 11.795 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.752 -10.678 6.786 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.406 -10.445 6.274 1.00 0.00 C ATOM 1137 C HIS A 72 -3.341 -9.113 5.538 1.00 0.00 C ATOM 1138 O HIS A 72 -3.317 -9.075 4.308 1.00 0.00 O ATOM 1139 CB HIS A 72 -2.995 -11.576 5.327 1.00 0.00 C ATOM 1140 CG HIS A 72 -2.881 -12.911 5.995 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -1.938 -13.189 6.960 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.598 -14.048 5.835 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.078 -14.438 7.365 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.079 -14.982 6.698 1.00 0.00 N ATOM 0 H HIS A 72 -5.480 -10.663 6.071 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.718 -10.418 7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.724 -11.645 4.520 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.037 -11.325 4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.424 -14.194 5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.476 -14.931 8.114 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.413 -15.940 6.806 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.326 -8.019 6.292 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.278 -6.695 5.687 1.00 0.00 C ATOM 1155 C PHE A 73 -2.029 -5.925 6.104 1.00 0.00 C ATOM 1156 O PHE A 73 -1.163 -6.447 6.805 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.540 -5.902 6.044 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.600 -5.457 7.480 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.809 -4.413 7.927 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -5.445 -6.086 8.380 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.857 -4.000 9.239 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -5.498 -5.678 9.700 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.703 -4.632 10.131 1.00 0.00 C ATOM 0 H PHE A 73 -3.346 -8.023 7.312 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.234 -6.828 4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.599 -5.024 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.415 -6.515 5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.144 -3.915 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.068 -6.903 8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.234 -3.183 9.571 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.160 -6.176 10.394 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.743 -4.310 11.161 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.950 -4.677 5.655 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.819 -3.813 5.960 1.00 0.00 C ATOM 1175 C ILE A 74 -0.977 -2.464 5.265 1.00 0.00 C ATOM 1176 O ILE A 74 -0.907 -2.378 4.039 1.00 0.00 O ATOM 1177 CB ILE A 74 0.512 -4.452 5.512 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.677 -3.489 5.749 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.438 -4.853 4.047 1.00 0.00 C ATOM 1180 CD1 ILE A 74 3.017 -4.054 5.337 1.00 0.00 C ATOM 0 H ILE A 74 -2.664 -4.239 5.073 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.799 -3.673 7.041 1.00 0.00 H new ATOM 0 HB ILE A 74 0.684 -5.348 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.495 -2.567 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.712 -3.226 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.384 -5.302 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.367 -5.574 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.244 -3.970 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.798 -3.319 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.221 -4.960 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.000 -4.291 4.273 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.194 -1.411 6.047 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.361 -0.079 5.481 1.00 0.00 C ATOM 1194 C TYR A 75 -0.369 0.916 6.064 1.00 0.00 C ATOM 1195 O TYR A 75 0.034 0.813 7.224 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.793 0.420 5.678 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.314 0.335 7.091 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -2.836 1.178 8.080 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.305 -0.577 7.424 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -3.329 1.115 9.369 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -4.803 -0.652 8.708 1.00 0.00 C ATOM 1202 CZ TYR A 75 -4.314 0.198 9.678 1.00 0.00 C ATOM 1203 OH TYR A 75 -4.810 0.132 10.959 1.00 0.00 O ATOM 0 H TYR A 75 -1.258 -1.454 7.064 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.160 -0.157 4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.847 1.458 5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.454 -0.155 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.066 1.896 7.840 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.693 -1.240 6.665 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.946 1.779 10.130 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.571 -1.371 8.952 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.497 -0.565 11.008 1.00 0.00 H new ATOM 1213 N PHE A 76 0.025 1.880 5.237 1.00 0.00 N ATOM 1214 CA PHE A 76 0.977 2.905 5.640 1.00 0.00 C ATOM 1215 C PHE A 76 0.580 4.264 5.079 1.00 0.00 C ATOM 1216 O PHE A 76 -0.323 4.364 4.248 1.00 0.00 O ATOM 1217 CB PHE A 76 2.383 2.532 5.174 1.00 0.00 C ATOM 1218 CG PHE A 76 2.466 2.216 3.708 1.00 0.00 C ATOM 1219 CD1 PHE A 76 1.825 1.101 3.191 1.00 0.00 C ATOM 1220 CD2 PHE A 76 3.182 3.033 2.847 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.897 0.808 1.842 1.00 0.00 C ATOM 1222 CE2 PHE A 76 3.259 2.743 1.499 1.00 0.00 C ATOM 1223 CZ PHE A 76 2.615 1.631 0.995 1.00 0.00 C ATOM 0 H PHE A 76 -0.305 1.971 4.276 1.00 0.00 H new ATOM 0 HA PHE A 76 0.970 2.969 6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.062 3.355 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.729 1.669 5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.263 0.454 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.685 3.906 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.393 -0.063 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.823 3.386 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.672 1.404 -0.059 1.00 0.00 H new ATOM 1233 N TYR A 77 1.254 5.312 5.542 1.00 0.00 N ATOM 1234 CA TYR A 77 0.962 6.666 5.085 1.00 0.00 C ATOM 1235 C TYR A 77 2.200 7.304 4.460 1.00 0.00 C ATOM 1236 O TYR A 77 3.310 7.166 4.977 1.00 0.00 O ATOM 1237 CB TYR A 77 0.461 7.515 6.258 1.00 0.00 C ATOM 1238 CG TYR A 77 -0.199 8.809 5.838 1.00 0.00 C ATOM 1239 CD1 TYR A 77 0.513 9.794 5.167 1.00 0.00 C ATOM 1240 CD2 TYR A 77 -1.542 9.041 6.111 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -0.095 10.974 4.782 1.00 0.00 C ATOM 1242 CE2 TYR A 77 -2.155 10.219 5.729 1.00 0.00 C ATOM 1243 CZ TYR A 77 -1.427 11.182 5.066 1.00 0.00 C ATOM 1244 OH TYR A 77 -2.034 12.355 4.683 1.00 0.00 O ATOM 0 H TYR A 77 2.004 5.250 6.231 1.00 0.00 H new ATOM 0 HA TYR A 77 0.184 6.616 4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.249 6.929 6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.301 7.743 6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.558 9.636 4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.116 8.288 6.630 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.472 11.731 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.199 10.384 5.949 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.974 12.342 4.958 1.00 0.00 H new ATOM 1254 N LEU A 78 2.003 7.998 3.342 1.00 0.00 N ATOM 1255 CA LEU A 78 3.105 8.652 2.642 1.00 0.00 C ATOM 1256 C LEU A 78 2.760 10.101 2.305 1.00 0.00 C ATOM 1257 O LEU A 78 1.694 10.383 1.759 1.00 0.00 O ATOM 1258 CB LEU A 78 3.441 7.892 1.358 1.00 0.00 C ATOM 1259 CG LEU A 78 3.839 6.428 1.554 1.00 0.00 C ATOM 1260 CD1 LEU A 78 4.142 5.776 0.215 1.00 0.00 C ATOM 1261 CD2 LEU A 78 5.038 6.324 2.483 1.00 0.00 C ATOM 0 H LEU A 78 1.091 8.122 2.902 1.00 0.00 H new ATOM 0 HA LEU A 78 3.971 8.647 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.577 7.931 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.256 8.409 0.851 1.00 0.00 H new ATOM 0 HG LEU A 78 3.003 5.900 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.423 4.735 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.257 5.821 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.963 6.304 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.308 5.276 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.880 6.866 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.786 6.756 3.452 1.00 0.00 H new ATOM 1273 N GLY A 79 3.672 11.014 2.631 1.00 0.00 N ATOM 1274 CA GLY A 79 3.452 12.425 2.353 1.00 0.00 C ATOM 1275 C GLY A 79 2.100 12.915 2.834 1.00 0.00 C ATOM 1276 O GLY A 79 1.955 13.327 3.985 1.00 0.00 O ATOM 0 H GLY A 79 4.561 10.802 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.237 13.011 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.535 12.596 1.280 1.00 0.00 H new ATOM 1280 N GLN A 80 1.107 12.863 1.952 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.244 13.297 2.290 1.00 0.00 C ATOM 1282 C GLN A 80 -1.284 12.338 1.718 1.00 0.00 C ATOM 1283 O GLN A 80 -2.383 12.746 1.340 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.492 14.724 1.789 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.034 14.971 0.360 1.00 0.00 C ATOM 1286 CD GLN A 80 -0.735 14.085 -0.650 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -1.961 14.072 -0.737 1.00 0.00 O ATOM 1288 NE2 GLN A 80 0.047 13.345 -1.426 1.00 0.00 N ATOM 0 H GLN A 80 1.213 12.524 0.996 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.340 13.291 3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.558 14.942 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.021 15.423 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.211 16.015 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.041 14.805 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.060 13.388 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.365 12.733 -2.130 1.00 0.00 H new ATOM 1297 N VAL A 81 -0.928 11.056 1.671 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.822 10.020 1.161 1.00 0.00 C ATOM 1299 C VAL A 81 -1.751 8.772 2.037 1.00 0.00 C ATOM 1300 O VAL A 81 -0.719 8.485 2.640 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.476 9.634 -0.296 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.375 8.507 -0.784 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -1.590 10.840 -1.214 1.00 0.00 C ATOM 0 H VAL A 81 -0.021 10.709 1.982 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.832 10.429 1.183 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.444 9.283 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.114 8.252 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.240 7.633 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.416 8.828 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.342 10.546 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.610 11.224 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.900 11.616 -0.883 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.853 8.033 2.097 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.909 6.815 2.896 1.00 0.00 C ATOM 1315 C ALA A 82 -2.996 5.579 2.008 1.00 0.00 C ATOM 1316 O ALA A 82 -3.947 5.417 1.242 1.00 0.00 O ATOM 1317 CB ALA A 82 -4.091 6.862 3.855 1.00 0.00 C ATOM 0 H ALA A 82 -3.717 8.255 1.603 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.988 6.751 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.118 5.945 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.985 7.718 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.017 6.956 3.287 1.00 0.00 H new ATOM 1323 N ILE A 83 -1.995 4.712 2.115 1.00 0.00 N ATOM 1324 CA ILE A 83 -1.955 3.491 1.325 1.00 0.00 C ATOM 1325 C ILE A 83 -2.302 2.287 2.193 1.00 0.00 C ATOM 1326 O ILE A 83 -1.777 2.141 3.298 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.563 3.278 0.688 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.158 4.508 -0.129 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.557 2.033 -0.187 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.183 5.715 0.718 1.00 0.00 C ATOM 0 H ILE A 83 -1.200 4.834 2.743 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.691 3.592 0.527 1.00 0.00 H new ATOM 0 HB ILE A 83 0.163 3.137 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.703 4.255 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.972 4.768 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.432 1.901 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.804 1.161 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.295 2.143 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.460 6.547 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.683 5.995 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.018 5.474 1.376 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.187 1.423 1.701 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.583 0.244 2.462 1.00 0.00 C ATOM 1344 C LEU A 84 -3.666 -0.993 1.573 1.00 0.00 C ATOM 1345 O LEU A 84 -4.373 -1.006 0.567 1.00 0.00 O ATOM 1346 CB LEU A 84 -4.916 0.475 3.181 1.00 0.00 C ATOM 1347 CG LEU A 84 -6.000 1.177 2.363 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -7.361 0.984 3.012 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.688 2.661 2.232 1.00 0.00 C ATOM 0 H LEU A 84 -3.638 1.516 0.791 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.812 0.069 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.302 -0.490 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.726 1.064 4.078 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.021 0.735 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.122 1.490 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.591 -0.080 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.347 1.404 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.469 3.147 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.643 3.112 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.728 2.788 1.732 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.931 -2.028 1.964 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.900 -3.280 1.222 1.00 0.00 C ATOM 1363 C LEU A 85 -3.386 -4.437 2.088 1.00 0.00 C ATOM 1364 O LEU A 85 -3.031 -4.536 3.264 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.481 -3.558 0.719 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.260 -4.941 0.109 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -2.232 -5.183 -1.037 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.176 -5.087 -0.366 1.00 0.00 C ATOM 0 H LEU A 85 -2.344 -2.022 2.798 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.570 -3.188 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.224 -2.806 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.788 -3.432 1.551 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.447 -5.691 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.059 -6.173 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.255 -5.121 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.080 -4.429 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.317 -6.078 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.389 -4.329 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.853 -4.959 0.478 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.202 -5.310 1.505 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.734 -6.457 2.235 1.00 0.00 C ATOM 1382 C PHE A 86 -4.711 -7.729 1.394 1.00 0.00 C ATOM 1383 O PHE A 86 -4.749 -7.681 0.166 1.00 0.00 O ATOM 1384 CB PHE A 86 -6.147 -6.162 2.744 1.00 0.00 C ATOM 1385 CG PHE A 86 -7.001 -5.415 1.764 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -7.450 -6.017 0.602 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.353 -4.099 2.010 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -8.238 -5.322 -0.295 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.137 -3.398 1.118 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.581 -4.010 -0.038 1.00 0.00 C ATOM 0 H PHE A 86 -4.508 -5.246 0.534 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.085 -6.629 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.637 -7.103 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.078 -5.584 3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.181 -7.042 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.009 -3.615 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.585 -5.805 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.404 -2.372 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.195 -3.463 -0.739 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.622 -8.867 2.079 1.00 0.00 N ATOM 1401 CA LYS A 87 -4.563 -10.170 1.421 1.00 0.00 C ATOM 1402 C LYS A 87 -5.659 -11.095 1.934 1.00 0.00 C ATOM 1403 O LYS A 87 -5.790 -11.303 3.139 1.00 0.00 O ATOM 1404 CB LYS A 87 -3.191 -10.802 1.678 1.00 0.00 C ATOM 1405 CG LYS A 87 -2.973 -12.155 1.015 1.00 0.00 C ATOM 1406 CD LYS A 87 -3.687 -13.276 1.757 1.00 0.00 C ATOM 1407 CE LYS A 87 -3.333 -14.637 1.179 1.00 0.00 C ATOM 1408 NZ LYS A 87 -3.693 -14.741 -0.261 1.00 0.00 N ATOM 0 H LYS A 87 -4.589 -8.912 3.097 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.715 -10.027 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.420 -10.115 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.055 -10.915 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.331 -12.116 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.905 -12.370 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.417 -13.246 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.765 -13.124 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.264 -14.815 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.851 -15.415 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.644 -15.736 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.659 -14.384 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.028 -14.176 -0.827 1.00 0.00 H new ATOM 1422 N SER A 88 -6.429 -11.671 1.013 1.00 0.00 N ATOM 1423 CA SER A 88 -7.498 -12.597 1.382 1.00 0.00 C ATOM 1424 C SER A 88 -7.015 -14.042 1.285 1.00 0.00 C ATOM 1425 O SER A 88 -6.137 -14.360 0.483 1.00 0.00 O ATOM 1426 CB SER A 88 -8.717 -12.411 0.478 1.00 0.00 C ATOM 1427 OG SER A 88 -9.707 -13.387 0.749 1.00 0.00 O ATOM 0 H SER A 88 -6.333 -11.514 0.010 1.00 0.00 H new ATOM 0 HA SER A 88 -7.782 -12.380 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.134 -11.415 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.413 -12.478 -0.566 1.00 0.00 H new ATOM 0 HG SER A 88 -10.046 -13.264 1.660 1.00 0.00 H new ATOM 1433 N GLY A 89 -7.597 -14.914 2.098 1.00 0.00 N ATOM 1434 CA GLY A 89 -7.215 -16.313 2.083 1.00 0.00 C ATOM 1435 C GLY A 89 -7.153 -16.914 3.474 1.00 0.00 C ATOM 1436 O GLY A 89 -7.498 -16.205 4.443 1.00 0.00 O ATOM 1437 OXT GLY A 89 -6.760 -18.093 3.594 1.00 0.00 O ATOM 0 H GLY A 89 -8.328 -14.677 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.928 -16.874 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.242 -16.415 1.603 1.00 0.00 H new TER 1441 GLY A 89