USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 899 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 54 GLN :FLIP amide:sc= -0.79 F(o=-2.5!,f=-0.036) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.754 K(o=-0.036,f=-1.1) USER MOD Set 2.1: A 43 CYS SG : rot 79:sc= -6.7! USER MOD Set 2.2: A 97 GLN : amide:sc= -1.39! C(o=-8.1!,f=-11!) USER MOD Set 3.1: A 29 SER OG : rot 106:sc= 2.46 USER MOD Set 3.2: A 33 SER OG : rot 79:sc= -0.242! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 1.24 (180deg=-1.24!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -48:sc= 0.572 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -0.0528 (180deg=-0.338) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.168 F(o=-5.2!,f=-0.17) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.0055) USER MOD Single : A 20 TYR OH : rot -130:sc= -0.76 USER MOD Single : A 21 MET CE :methyl 157:sc= -0.643 (180deg=-3.15) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -1.02 USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0272) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.076 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.22 F(o=-3.7!,f=-1.2) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.739 F(o=-3.8!,f=-0.74) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 150:sc= -2.45! (180deg=-4.5!) USER MOD Single : A 65 TYR OH : rot -69:sc= -1.47! USER MOD Single : A 67 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00275 USER MOD Single : A 73 GLN : amide:sc= -4.91! C(o=-4.9!,f=-6.5!) USER MOD Single : A 84 CYS SG : rot 94:sc= 0.493 USER MOD Single : A 90 MET CE :methyl 141:sc= -0.213 (180deg=-1.15) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00101 X(o=-0.001,f=-0.15) USER MOD Single : A 98 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 101 LYS NZ :NH3+ -137:sc= 0.927 (180deg=0.0554) USER MOD Single : A 103 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.15) USER MOD Single : A 107 TYR OH : rot 30:sc= -0.275 USER MOD Single : A 108 LYS NZ :NH3+ 147:sc= 1.2 (180deg=0.327) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00596 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.172 14.833 5.142 1.00 0.00 N ATOM 2 CA MET A 1 17.234 13.549 5.878 1.00 0.00 C ATOM 3 C MET A 1 17.640 12.415 4.946 1.00 0.00 C ATOM 4 O MET A 1 18.541 12.581 4.124 1.00 0.00 O ATOM 5 CB MET A 1 15.867 13.263 6.499 1.00 0.00 C ATOM 6 CG MET A 1 15.399 14.332 7.467 1.00 0.00 C ATOM 7 SD MET A 1 13.821 13.925 8.229 1.00 0.00 S ATOM 8 CE MET A 1 13.544 15.402 9.196 1.00 0.00 C ATOM 0 H1 MET A 1 17.653 15.573 5.693 1.00 0.00 H new ATOM 0 H2 MET A 1 17.642 14.728 4.220 1.00 0.00 H new ATOM 0 H3 MET A 1 16.178 15.102 4.996 1.00 0.00 H new ATOM 0 HA MET A 1 17.984 13.622 6.665 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.131 13.160 5.702 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.908 12.307 7.020 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.150 14.468 8.245 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.310 15.282 6.940 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.601 15.313 9.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.358 15.528 9.909 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.504 16.268 8.535 1.00 0.00 H new ATOM 20 N SER A 2 16.971 11.269 5.071 1.00 0.00 N ATOM 21 CA SER A 2 17.267 10.119 4.231 1.00 0.00 C ATOM 22 C SER A 2 16.993 10.450 2.768 1.00 0.00 C ATOM 23 O SER A 2 15.899 10.903 2.420 1.00 0.00 O ATOM 24 CB SER A 2 16.418 8.927 4.665 1.00 0.00 C ATOM 25 OG SER A 2 16.616 8.638 6.038 1.00 0.00 O ATOM 0 H SER A 2 16.222 11.117 5.746 1.00 0.00 H new ATOM 0 HA SER A 2 18.321 9.864 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.365 9.140 4.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.675 8.054 4.065 1.00 0.00 H new ATOM 0 HG SER A 2 16.061 7.872 6.294 1.00 0.00 H new ATOM 31 N THR A 3 18.012 10.280 1.937 1.00 0.00 N ATOM 32 CA THR A 3 17.941 10.625 0.520 1.00 0.00 C ATOM 33 C THR A 3 17.074 9.626 -0.273 1.00 0.00 C ATOM 34 O THR A 3 17.402 9.241 -1.396 1.00 0.00 O ATOM 35 CB THR A 3 19.367 10.731 -0.087 1.00 0.00 C ATOM 36 OG1 THR A 3 19.314 11.182 -1.448 1.00 0.00 O ATOM 37 CG2 THR A 3 20.096 9.395 -0.026 1.00 0.00 C ATOM 0 H THR A 3 18.913 9.899 2.225 1.00 0.00 H new ATOM 0 HA THR A 3 17.458 11.599 0.442 1.00 0.00 H new ATOM 0 HB THR A 3 19.916 11.459 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 3 18.643 10.663 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.091 9.503 -0.459 1.00 0.00 H new ATOM 0 HG22 THR A 3 20.185 9.076 1.012 1.00 0.00 H new ATOM 0 HG23 THR A 3 19.535 8.648 -0.588 1.00 0.00 H new ATOM 45 N THR A 4 15.903 9.304 0.264 1.00 0.00 N ATOM 46 CA THR A 4 14.950 8.465 -0.445 1.00 0.00 C ATOM 47 C THR A 4 13.583 8.483 0.242 1.00 0.00 C ATOM 48 O THR A 4 12.573 8.703 -0.419 1.00 0.00 O ATOM 49 CB THR A 4 15.459 7.007 -0.612 1.00 0.00 C ATOM 50 OG1 THR A 4 14.504 6.227 -1.342 1.00 0.00 O ATOM 51 CG2 THR A 4 15.731 6.341 0.730 1.00 0.00 C ATOM 0 H THR A 4 15.593 9.611 1.186 1.00 0.00 H new ATOM 0 HA THR A 4 14.842 8.887 -1.444 1.00 0.00 H new ATOM 0 HB THR A 4 16.398 7.057 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.838 5.311 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.085 5.323 0.566 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.490 6.907 1.270 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.813 6.316 1.316 1.00 0.00 H new ATOM 59 N ILE A 5 13.546 8.336 1.570 1.00 0.00 N ATOM 60 CA ILE A 5 12.281 8.417 2.307 1.00 0.00 C ATOM 61 C ILE A 5 11.584 9.753 2.082 1.00 0.00 C ATOM 62 O ILE A 5 10.368 9.794 1.924 1.00 0.00 O ATOM 63 CB ILE A 5 12.449 8.166 3.827 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.649 6.682 4.112 1.00 0.00 C ATOM 65 CG2 ILE A 5 11.223 8.654 4.576 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.082 6.388 5.532 1.00 0.00 C ATOM 0 H ILE A 5 14.366 8.162 2.151 1.00 0.00 H new ATOM 0 HA ILE A 5 11.658 7.617 1.906 1.00 0.00 H new ATOM 0 HB ILE A 5 13.329 8.715 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.718 6.153 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.397 6.287 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.352 8.472 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.092 9.722 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.343 8.118 4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.204 5.312 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.029 6.887 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.325 6.752 6.226 1.00 0.00 H new ATOM 78 N GLU A 6 12.348 10.837 2.053 1.00 0.00 N ATOM 79 CA GLU A 6 11.769 12.155 1.830 1.00 0.00 C ATOM 80 C GLU A 6 11.006 12.173 0.507 1.00 0.00 C ATOM 81 O GLU A 6 9.848 12.590 0.448 1.00 0.00 O ATOM 82 CB GLU A 6 12.859 13.226 1.831 1.00 0.00 C ATOM 83 CG GLU A 6 13.696 13.231 3.099 1.00 0.00 C ATOM 84 CD GLU A 6 14.712 14.352 3.124 1.00 0.00 C ATOM 85 OE1 GLU A 6 15.530 14.441 2.192 1.00 0.00 O ATOM 86 OE2 GLU A 6 14.707 15.146 4.090 1.00 0.00 O ATOM 0 H GLU A 6 13.360 10.831 2.180 1.00 0.00 H new ATOM 0 HA GLU A 6 11.074 12.374 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.513 13.070 0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.397 14.205 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.038 13.323 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.213 12.276 3.192 1.00 0.00 H new ATOM 93 N LYS A 7 11.622 11.596 -0.521 1.00 0.00 N ATOM 94 CA LYS A 7 10.963 11.426 -1.809 1.00 0.00 C ATOM 95 C LYS A 7 9.784 10.467 -1.674 1.00 0.00 C ATOM 96 O LYS A 7 8.697 10.726 -2.184 1.00 0.00 O ATOM 97 CB LYS A 7 11.924 10.879 -2.879 1.00 0.00 C ATOM 98 CG LYS A 7 13.140 11.750 -3.187 1.00 0.00 C ATOM 99 CD LYS A 7 14.138 11.791 -2.039 1.00 0.00 C ATOM 100 CE LYS A 7 15.385 12.581 -2.409 1.00 0.00 C ATOM 101 NZ LYS A 7 16.109 11.974 -3.560 1.00 0.00 N ATOM 0 H LYS A 7 12.577 11.239 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 7 10.618 12.411 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.275 9.898 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.364 10.731 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.636 11.372 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.808 12.764 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.668 12.240 -1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.419 10.774 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.105 13.605 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.051 12.631 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.071 12.365 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.160 10.943 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.602 12.189 -4.442 1.00 0.00 H new ATOM 115 N ILE A 8 10.027 9.337 -1.014 1.00 0.00 N ATOM 116 CA ILE A 8 9.021 8.303 -0.842 1.00 0.00 C ATOM 117 C ILE A 8 7.770 8.825 -0.143 1.00 0.00 C ATOM 118 O ILE A 8 6.659 8.555 -0.585 1.00 0.00 O ATOM 119 CB ILE A 8 9.601 7.095 -0.075 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.650 6.396 -0.944 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.496 6.139 0.329 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.379 5.275 -0.243 1.00 0.00 C ATOM 0 H ILE A 8 10.926 9.117 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 8 8.725 7.979 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 8 10.081 7.444 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.163 5.998 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.378 7.134 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.925 5.294 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.784 6.657 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.983 5.778 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.104 4.831 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.897 5.669 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.663 4.515 0.070 1.00 0.00 H new ATOM 134 N GLN A 9 7.943 9.597 0.918 1.00 0.00 N ATOM 135 CA GLN A 9 6.805 10.168 1.624 1.00 0.00 C ATOM 136 C GLN A 9 6.000 11.093 0.730 1.00 0.00 C ATOM 137 O GLN A 9 4.772 11.020 0.701 1.00 0.00 O ATOM 138 CB GLN A 9 7.238 10.894 2.900 1.00 0.00 C ATOM 139 CG GLN A 9 7.641 9.968 4.033 1.00 0.00 C ATOM 140 CD GLN A 9 7.999 10.725 5.296 1.00 0.00 C ATOM 141 OE1 GLN A 9 9.174 10.454 5.835 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 7.211 11.528 5.798 1.00 0.00 N flip ATOM 0 H GLN A 9 8.853 9.842 1.308 1.00 0.00 H new ATOM 0 HA GLN A 9 6.163 9.336 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.076 11.550 2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.420 11.530 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.823 9.279 4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.493 9.364 3.720 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.313 11.709 5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.457 12.012 6.662 1.00 0.00 H new ATOM 151 N ARG A 10 6.690 11.882 -0.077 1.00 0.00 N ATOM 152 CA ARG A 10 6.024 12.719 -1.060 1.00 0.00 C ATOM 153 C ARG A 10 5.240 11.853 -2.044 1.00 0.00 C ATOM 154 O ARG A 10 4.149 12.222 -2.477 1.00 0.00 O ATOM 155 CB ARG A 10 7.037 13.582 -1.816 1.00 0.00 C ATOM 156 CG ARG A 10 7.813 14.570 -0.949 1.00 0.00 C ATOM 157 CD ARG A 10 6.911 15.618 -0.305 1.00 0.00 C ATOM 158 NE ARG A 10 6.016 15.062 0.714 1.00 0.00 N ATOM 159 CZ ARG A 10 5.104 15.780 1.371 1.00 0.00 C ATOM 160 NH1 ARG A 10 4.940 17.067 1.088 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.366 15.214 2.317 1.00 0.00 N ATOM 0 H ARG A 10 7.707 11.960 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 10 5.333 13.378 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.748 12.926 -2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.511 14.137 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.344 14.024 -0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.566 15.069 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.530 16.392 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.314 16.100 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 10 6.095 14.069 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.512 17.508 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.242 17.615 1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.495 14.228 2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.669 15.765 2.818 1.00 0.00 H new ATOM 175 N GLN A 11 5.802 10.694 -2.373 1.00 0.00 N ATOM 176 CA GLN A 11 5.161 9.761 -3.294 1.00 0.00 C ATOM 177 C GLN A 11 3.954 9.089 -2.654 1.00 0.00 C ATOM 178 O GLN A 11 2.907 8.954 -3.278 1.00 0.00 O ATOM 179 CB GLN A 11 6.151 8.703 -3.791 1.00 0.00 C ATOM 180 CG GLN A 11 7.296 9.273 -4.612 1.00 0.00 C ATOM 181 CD GLN A 11 8.243 8.201 -5.115 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.843 7.300 -5.854 1.00 0.00 O ATOM 183 NE2 GLN A 11 9.506 8.295 -4.726 1.00 0.00 N ATOM 0 H GLN A 11 6.703 10.378 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 11 4.816 10.341 -4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.561 8.171 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.614 7.970 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.891 9.822 -5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.852 9.988 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.796 9.057 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.189 7.605 -5.039 1.00 0.00 H new ATOM 192 N ILE A 12 4.103 8.638 -1.423 1.00 0.00 N ATOM 193 CA ILE A 12 3.014 7.957 -0.747 1.00 0.00 C ATOM 194 C ILE A 12 1.840 8.905 -0.561 1.00 0.00 C ATOM 195 O ILE A 12 0.689 8.544 -0.797 1.00 0.00 O ATOM 196 CB ILE A 12 3.436 7.395 0.626 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.657 6.490 0.484 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.289 6.623 1.249 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.046 5.796 1.767 1.00 0.00 C ATOM 0 H ILE A 12 4.958 8.729 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 12 2.724 7.117 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 12 3.697 8.231 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.455 5.738 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.500 7.084 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.598 6.231 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.434 7.286 1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.009 5.797 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.921 5.170 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.280 6.541 2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.219 5.175 2.110 1.00 0.00 H new ATOM 211 N ALA A 13 2.155 10.119 -0.140 1.00 0.00 N ATOM 212 CA ALA A 13 1.148 11.145 0.089 1.00 0.00 C ATOM 213 C ALA A 13 0.389 11.492 -1.192 1.00 0.00 C ATOM 214 O ALA A 13 -0.819 11.733 -1.155 1.00 0.00 O ATOM 215 CB ALA A 13 1.786 12.396 0.679 1.00 0.00 C ATOM 0 H ALA A 13 3.110 10.421 0.052 1.00 0.00 H new ATOM 0 HA ALA A 13 0.428 10.742 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.019 13.153 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.262 12.149 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.535 12.783 -0.012 1.00 0.00 H new ATOM 221 N GLU A 14 1.105 11.585 -2.313 1.00 0.00 N ATOM 222 CA GLU A 14 0.477 11.980 -3.573 1.00 0.00 C ATOM 223 C GLU A 14 -0.467 10.900 -4.096 1.00 0.00 C ATOM 224 O GLU A 14 -1.508 11.215 -4.672 1.00 0.00 O ATOM 225 CB GLU A 14 1.501 12.348 -4.648 1.00 0.00 C ATOM 226 CG GLU A 14 2.422 11.215 -5.033 1.00 0.00 C ATOM 227 CD GLU A 14 3.369 11.578 -6.152 1.00 0.00 C ATOM 228 OE1 GLU A 14 4.127 12.557 -6.000 1.00 0.00 O ATOM 229 OE2 GLU A 14 3.362 10.882 -7.190 1.00 0.00 O ATOM 0 H GLU A 14 2.105 11.395 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.106 12.874 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.972 12.690 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.101 13.185 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.000 10.911 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.824 10.355 -5.335 1.00 0.00 H new ATOM 236 N ASN A 15 -0.097 9.632 -3.927 1.00 0.00 N ATOM 237 CA ASN A 15 -0.925 8.540 -4.426 1.00 0.00 C ATOM 238 C ASN A 15 -2.128 8.325 -3.523 1.00 0.00 C ATOM 239 O ASN A 15 -2.003 8.231 -2.304 1.00 0.00 O ATOM 240 CB ASN A 15 -0.114 7.245 -4.570 1.00 0.00 C ATOM 241 CG ASN A 15 0.930 7.336 -5.669 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.603 7.563 -6.833 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.191 7.159 -5.314 1.00 0.00 N ATOM 0 H ASN A 15 0.759 9.339 -3.455 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.283 8.818 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.377 7.020 -3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.791 6.417 -4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.930 7.209 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.425 6.973 -4.339 1.00 0.00 H new ATOM 250 N PRO A 16 -3.323 8.338 -4.126 1.00 0.00 N ATOM 251 CA PRO A 16 -4.591 8.238 -3.399 1.00 0.00 C ATOM 252 C PRO A 16 -4.734 6.937 -2.648 1.00 0.00 C ATOM 253 O PRO A 16 -5.190 6.904 -1.507 1.00 0.00 O ATOM 254 CB PRO A 16 -5.637 8.286 -4.517 1.00 0.00 C ATOM 255 CG PRO A 16 -4.961 8.975 -5.646 1.00 0.00 C ATOM 256 CD PRO A 16 -3.529 8.551 -5.569 1.00 0.00 C ATOM 0 HA PRO A 16 -4.682 9.023 -2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.957 7.284 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.528 8.828 -4.201 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.404 8.692 -6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.056 10.057 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.346 7.641 -6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.860 9.316 -5.964 1.00 0.00 H new ATOM 264 N ILE A 17 -4.337 5.868 -3.300 1.00 0.00 N ATOM 265 CA ILE A 17 -4.418 4.543 -2.722 1.00 0.00 C ATOM 266 C ILE A 17 -3.118 3.842 -3.051 1.00 0.00 C ATOM 267 O ILE A 17 -2.724 3.819 -4.217 1.00 0.00 O ATOM 268 CB ILE A 17 -5.588 3.731 -3.341 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.904 4.532 -3.355 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.785 2.429 -2.584 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.430 4.916 -1.984 1.00 0.00 C ATOM 0 H ILE A 17 -3.950 5.891 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.589 4.618 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.320 3.515 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.754 5.440 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.665 3.945 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.608 1.870 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.873 1.835 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.016 2.646 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.358 5.476 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.617 4.015 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.692 5.533 -1.471 1.00 0.00 H new ATOM 283 N LEU A 18 -2.362 3.438 -2.044 1.00 0.00 N ATOM 284 CA LEU A 18 -1.029 2.954 -2.314 1.00 0.00 C ATOM 285 C LEU A 18 -0.757 1.651 -1.587 1.00 0.00 C ATOM 286 O LEU A 18 -1.200 1.436 -0.467 1.00 0.00 O ATOM 287 CB LEU A 18 -0.004 4.017 -1.928 1.00 0.00 C ATOM 288 CG LEU A 18 1.400 3.799 -2.480 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.364 3.698 -3.999 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.302 4.945 -2.053 1.00 0.00 C ATOM 0 H LEU A 18 -2.641 3.436 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.945 2.753 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.365 4.987 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.054 4.064 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 18 1.795 2.865 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.374 3.542 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.733 2.859 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.959 4.620 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.305 4.786 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.904 5.884 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.345 4.988 -0.965 1.00 0.00 H new ATOM 302 N LEU A 19 -0.084 0.764 -2.277 1.00 0.00 N ATOM 303 CA LEU A 19 0.203 -0.562 -1.779 1.00 0.00 C ATOM 304 C LEU A 19 1.639 -0.929 -2.081 1.00 0.00 C ATOM 305 O LEU A 19 2.043 -0.967 -3.228 1.00 0.00 O ATOM 306 CB LEU A 19 -0.740 -1.557 -2.453 1.00 0.00 C ATOM 307 CG LEU A 19 -0.277 -3.013 -2.449 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.134 -3.557 -1.036 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.241 -3.861 -3.245 1.00 0.00 C ATOM 0 H LEU A 19 0.285 0.943 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 19 0.057 -0.588 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.710 -1.502 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.890 -1.245 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 19 0.708 -3.052 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.197 -4.595 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.600 -2.964 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.096 -3.503 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.905 -4.898 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.234 -3.798 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.281 -3.499 -4.273 1.00 0.00 H new ATOM 321 N TYR A 20 2.401 -1.256 -1.070 1.00 0.00 N ATOM 322 CA TYR A 20 3.764 -1.678 -1.303 1.00 0.00 C ATOM 323 C TYR A 20 3.889 -3.189 -1.282 1.00 0.00 C ATOM 324 O TYR A 20 3.683 -3.827 -0.249 1.00 0.00 O ATOM 325 CB TYR A 20 4.706 -1.044 -0.294 1.00 0.00 C ATOM 326 CG TYR A 20 5.001 0.412 -0.569 1.00 0.00 C ATOM 327 CD1 TYR A 20 3.989 1.357 -0.682 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.309 0.833 -0.746 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.282 2.674 -0.962 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.606 2.148 -1.021 1.00 0.00 C ATOM 331 CZ TYR A 20 5.591 3.065 -1.128 1.00 0.00 C ATOM 332 OH TYR A 20 5.883 4.377 -1.414 1.00 0.00 O ATOM 0 H TYR A 20 2.111 -1.240 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 20 4.049 -1.337 -2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.273 -1.136 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.643 -1.600 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.960 1.056 -0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.112 0.115 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.486 3.398 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.633 2.457 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 20 6.487 4.417 -2.185 1.00 0.00 H new ATOM 342 N MET A 21 4.301 -3.742 -2.413 1.00 0.00 N ATOM 343 CA MET A 21 4.545 -5.164 -2.535 1.00 0.00 C ATOM 344 C MET A 21 5.707 -5.432 -3.493 1.00 0.00 C ATOM 345 O MET A 21 6.447 -4.521 -3.833 1.00 0.00 O ATOM 346 CB MET A 21 3.272 -5.858 -2.993 1.00 0.00 C ATOM 347 CG MET A 21 2.627 -5.266 -4.231 1.00 0.00 C ATOM 348 SD MET A 21 1.066 -6.085 -4.619 1.00 0.00 S ATOM 349 CE MET A 21 0.557 -5.222 -6.101 1.00 0.00 C ATOM 0 H MET A 21 4.474 -3.215 -3.269 1.00 0.00 H new ATOM 0 HA MET A 21 4.829 -5.568 -1.563 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.498 -6.907 -3.186 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.549 -5.832 -2.178 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.452 -4.201 -4.078 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.308 -5.359 -5.077 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.129 -5.849 -6.670 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.057 -4.293 -5.827 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.433 -4.997 -6.710 1.00 0.00 H new ATOM 359 N LYS A 22 5.885 -6.671 -3.935 1.00 0.00 N ATOM 360 CA LYS A 22 6.981 -6.967 -4.849 1.00 0.00 C ATOM 361 C LYS A 22 6.471 -7.031 -6.264 1.00 0.00 C ATOM 362 O LYS A 22 5.617 -7.836 -6.574 1.00 0.00 O ATOM 363 CB LYS A 22 7.681 -8.279 -4.492 1.00 0.00 C ATOM 364 CG LYS A 22 8.898 -8.561 -5.361 1.00 0.00 C ATOM 365 CD LYS A 22 9.643 -9.802 -4.904 1.00 0.00 C ATOM 366 CE LYS A 22 10.870 -10.057 -5.760 1.00 0.00 C ATOM 367 NZ LYS A 22 11.623 -11.255 -5.313 1.00 0.00 N ATOM 0 H LYS A 22 5.301 -7.469 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 22 7.711 -6.163 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.988 -8.248 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.972 -9.101 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.583 -8.687 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.570 -7.703 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.942 -9.686 -3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.979 -10.665 -4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.566 -10.187 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.523 -9.185 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.453 -11.392 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.936 -11.122 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.009 -12.092 -5.370 1.00 0.00 H new ATOM 381 N GLY A 23 6.972 -6.159 -7.100 1.00 0.00 N ATOM 382 CA GLY A 23 6.497 -6.099 -8.468 1.00 0.00 C ATOM 383 C GLY A 23 7.360 -6.882 -9.430 1.00 0.00 C ATOM 384 O GLY A 23 7.980 -6.308 -10.323 1.00 0.00 O ATOM 0 H GLY A 23 7.701 -5.485 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.477 -6.482 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.459 -5.058 -8.788 1.00 0.00 H new ATOM 388 N SER A 24 7.341 -8.201 -9.303 1.00 0.00 N ATOM 389 CA SER A 24 8.064 -9.049 -10.237 1.00 0.00 C ATOM 390 C SER A 24 7.280 -9.164 -11.541 1.00 0.00 C ATOM 391 O SER A 24 6.058 -9.247 -11.520 1.00 0.00 O ATOM 392 CB SER A 24 8.298 -10.433 -9.625 1.00 0.00 C ATOM 393 OG SER A 24 9.056 -10.337 -8.430 1.00 0.00 O ATOM 0 H SER A 24 6.838 -8.702 -8.570 1.00 0.00 H new ATOM 0 HA SER A 24 9.035 -8.601 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.340 -10.909 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.820 -11.068 -10.341 1.00 0.00 H new ATOM 0 HG SER A 24 9.192 -11.233 -8.056 1.00 0.00 H new ATOM 399 N PRO A 25 7.956 -9.124 -12.699 1.00 0.00 N ATOM 400 CA PRO A 25 7.279 -9.192 -14.000 1.00 0.00 C ATOM 401 C PRO A 25 6.362 -10.416 -14.099 1.00 0.00 C ATOM 402 O PRO A 25 5.217 -10.312 -14.548 1.00 0.00 O ATOM 403 CB PRO A 25 8.436 -9.286 -14.997 1.00 0.00 C ATOM 404 CG PRO A 25 9.580 -8.634 -14.301 1.00 0.00 C ATOM 405 CD PRO A 25 9.415 -8.965 -12.842 1.00 0.00 C ATOM 0 HA PRO A 25 6.628 -8.336 -14.179 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.662 -10.323 -15.247 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.198 -8.778 -15.931 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.532 -9.005 -14.681 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.572 -7.556 -14.461 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.948 -9.877 -12.572 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.799 -8.170 -12.202 1.00 0.00 H new ATOM 413 N LYS A 26 6.845 -11.548 -13.591 1.00 0.00 N ATOM 414 CA LYS A 26 6.051 -12.773 -13.526 1.00 0.00 C ATOM 415 C LYS A 26 4.848 -12.624 -12.592 1.00 0.00 C ATOM 416 O LYS A 26 3.797 -13.217 -12.832 1.00 0.00 O ATOM 417 CB LYS A 26 6.909 -13.968 -13.085 1.00 0.00 C ATOM 418 CG LYS A 26 7.650 -13.755 -11.772 1.00 0.00 C ATOM 419 CD LYS A 26 8.364 -15.022 -11.312 1.00 0.00 C ATOM 420 CE LYS A 26 9.338 -15.549 -12.358 1.00 0.00 C ATOM 421 NZ LYS A 26 10.405 -14.570 -12.686 1.00 0.00 N ATOM 0 H LYS A 26 7.789 -11.642 -13.216 1.00 0.00 H new ATOM 0 HA LYS A 26 5.678 -12.959 -14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.269 -14.845 -12.989 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.635 -14.188 -13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.377 -12.951 -11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.945 -13.436 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.903 -14.817 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.625 -15.791 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.794 -16.470 -11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.790 -15.802 -13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.088 -15.006 -13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.982 -13.734 -13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.893 -14.283 -11.814 1.00 0.00 H new ATOM 435 N LEU A 27 5.019 -11.879 -11.505 1.00 0.00 N ATOM 436 CA LEU A 27 3.960 -11.724 -10.511 1.00 0.00 C ATOM 437 C LEU A 27 4.170 -10.407 -9.767 1.00 0.00 C ATOM 438 O LEU A 27 5.156 -10.254 -9.043 1.00 0.00 O ATOM 439 CB LEU A 27 4.047 -12.890 -9.519 1.00 0.00 C ATOM 440 CG LEU A 27 2.769 -13.237 -8.730 1.00 0.00 C ATOM 441 CD1 LEU A 27 3.016 -14.446 -7.842 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.276 -12.072 -7.889 1.00 0.00 C ATOM 0 H LEU A 27 5.878 -11.374 -11.289 1.00 0.00 H new ATOM 0 HA LEU A 27 2.983 -11.720 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.357 -13.779 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.837 -12.666 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 27 1.992 -13.466 -9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.107 -14.683 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.298 -15.299 -8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.820 -14.224 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.374 -12.367 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.047 -11.788 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.052 -11.224 -8.537 1.00 0.00 H new ATOM 454 N PRO A 28 3.278 -9.422 -9.970 1.00 0.00 N ATOM 455 CA PRO A 28 3.413 -8.095 -9.362 1.00 0.00 C ATOM 456 C PRO A 28 3.084 -8.062 -7.872 1.00 0.00 C ATOM 457 O PRO A 28 2.670 -7.032 -7.350 1.00 0.00 O ATOM 458 CB PRO A 28 2.403 -7.249 -10.131 1.00 0.00 C ATOM 459 CG PRO A 28 1.400 -8.201 -10.669 1.00 0.00 C ATOM 460 CD PRO A 28 2.106 -9.507 -10.858 1.00 0.00 C ATOM 0 HA PRO A 28 4.444 -7.745 -9.423 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.933 -6.513 -9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.888 -6.697 -10.936 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.562 -8.310 -9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.992 -7.841 -11.614 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.465 -10.347 -10.591 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.404 -9.651 -11.897 1.00 0.00 H new ATOM 468 N SER A 29 3.364 -9.151 -7.180 1.00 0.00 N ATOM 469 CA SER A 29 3.190 -9.205 -5.736 1.00 0.00 C ATOM 470 C SER A 29 3.922 -10.418 -5.163 1.00 0.00 C ATOM 471 O SER A 29 3.341 -11.232 -4.444 1.00 0.00 O ATOM 472 CB SER A 29 1.709 -9.263 -5.412 1.00 0.00 C ATOM 473 OG SER A 29 1.463 -9.014 -4.046 1.00 0.00 O ATOM 0 H SER A 29 3.714 -10.015 -7.595 1.00 0.00 H new ATOM 0 HA SER A 29 3.615 -8.310 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.175 -8.530 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.316 -10.244 -5.679 1.00 0.00 H new ATOM 0 HG SER A 29 1.087 -8.115 -3.940 1.00 0.00 H new ATOM 479 N CYS A 30 5.159 -10.600 -5.599 1.00 0.00 N ATOM 480 CA CYS A 30 5.938 -11.787 -5.257 1.00 0.00 C ATOM 481 C CYS A 30 6.381 -11.785 -3.788 1.00 0.00 C ATOM 482 O CYS A 30 7.570 -11.712 -3.481 1.00 0.00 O ATOM 483 CB CYS A 30 7.153 -11.886 -6.161 1.00 0.00 C ATOM 484 SG CYS A 30 8.082 -13.431 -5.998 1.00 0.00 S ATOM 0 H CYS A 30 5.651 -9.936 -6.196 1.00 0.00 H new ATOM 0 HA CYS A 30 5.294 -12.654 -5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.830 -11.778 -7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.820 -11.051 -5.946 1.00 0.00 H new ATOM 0 HG CYS A 30 9.096 -13.416 -6.812 1.00 0.00 H new ATOM 490 N GLY A 31 5.427 -11.898 -2.895 1.00 0.00 N ATOM 491 CA GLY A 31 5.729 -11.954 -1.478 1.00 0.00 C ATOM 492 C GLY A 31 4.512 -12.328 -0.661 1.00 0.00 C ATOM 493 O GLY A 31 3.685 -13.122 -1.110 1.00 0.00 O ATOM 0 H GLY A 31 4.434 -11.953 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.522 -12.681 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.106 -10.986 -1.148 1.00 0.00 H new ATOM 497 N PHE A 32 4.348 -11.703 0.497 1.00 0.00 N ATOM 498 CA PHE A 32 3.163 -11.938 1.313 1.00 0.00 C ATOM 499 C PHE A 32 1.975 -11.206 0.749 1.00 0.00 C ATOM 500 O PHE A 32 0.852 -11.672 0.828 1.00 0.00 O ATOM 501 CB PHE A 32 3.358 -11.512 2.760 1.00 0.00 C ATOM 502 CG PHE A 32 4.227 -12.432 3.549 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.587 -12.498 3.322 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.661 -13.251 4.507 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.378 -13.368 4.045 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.444 -14.124 5.236 1.00 0.00 C ATOM 507 CZ PHE A 32 5.806 -14.181 5.007 1.00 0.00 C ATOM 0 H PHE A 32 5.012 -11.036 0.890 1.00 0.00 H new ATOM 0 HA PHE A 32 2.987 -13.014 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.792 -10.512 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.383 -11.445 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.036 -11.863 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.597 -13.208 4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.441 -13.414 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.993 -14.761 5.983 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.423 -14.859 5.578 1.00 0.00 H new ATOM 517 N SER A 33 2.244 -10.056 0.178 1.00 0.00 N ATOM 518 CA SER A 33 1.227 -9.213 -0.419 1.00 0.00 C ATOM 519 C SER A 33 0.317 -9.980 -1.377 1.00 0.00 C ATOM 520 O SER A 33 -0.791 -9.538 -1.658 1.00 0.00 O ATOM 521 CB SER A 33 1.928 -8.077 -1.127 1.00 0.00 C ATOM 522 OG SER A 33 2.968 -8.587 -1.947 1.00 0.00 O ATOM 0 H SER A 33 3.186 -9.672 0.112 1.00 0.00 H new ATOM 0 HA SER A 33 0.573 -8.832 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.214 -7.520 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.338 -7.380 -0.397 1.00 0.00 H new ATOM 0 HG SER A 33 2.586 -8.942 -2.777 1.00 0.00 H new ATOM 528 N ALA A 34 0.798 -11.120 -1.867 1.00 0.00 N ATOM 529 CA ALA A 34 0.049 -11.958 -2.793 1.00 0.00 C ATOM 530 C ALA A 34 -1.386 -12.206 -2.321 1.00 0.00 C ATOM 531 O ALA A 34 -2.315 -12.159 -3.122 1.00 0.00 O ATOM 532 CB ALA A 34 0.768 -13.282 -2.997 1.00 0.00 C ATOM 0 H ALA A 34 1.720 -11.487 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.009 -11.423 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.200 -13.901 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.762 -13.097 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.859 -13.798 -2.041 1.00 0.00 H new ATOM 538 N GLN A 35 -1.589 -12.479 -1.032 1.00 0.00 N ATOM 539 CA GLN A 35 -2.948 -12.724 -0.557 1.00 0.00 C ATOM 540 C GLN A 35 -3.682 -11.392 -0.336 1.00 0.00 C ATOM 541 O GLN A 35 -4.896 -11.303 -0.505 1.00 0.00 O ATOM 542 CB GLN A 35 -3.000 -13.614 0.711 1.00 0.00 C ATOM 543 CG GLN A 35 -2.876 -12.897 2.047 1.00 0.00 C ATOM 544 CD GLN A 35 -1.487 -12.402 2.336 1.00 0.00 C ATOM 545 OE1 GLN A 35 -1.339 -11.094 2.400 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.551 -13.188 2.488 1.00 0.00 N flip ATOM 0 H GLN A 35 -0.859 -12.535 -0.322 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.461 -13.287 -1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.941 -14.163 0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.200 -14.351 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.565 -12.052 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.185 -13.574 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.714 -14.193 2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.388 -12.834 2.672 1.00 0.00 H new ATOM 555 N ALA A 36 -2.936 -10.381 0.108 1.00 0.00 N ATOM 556 CA ALA A 36 -3.497 -9.072 0.445 1.00 0.00 C ATOM 557 C ALA A 36 -3.978 -8.309 -0.784 1.00 0.00 C ATOM 558 O ALA A 36 -5.035 -7.679 -0.756 1.00 0.00 O ATOM 559 CB ALA A 36 -2.473 -8.249 1.205 1.00 0.00 C ATOM 0 H ALA A 36 -1.927 -10.445 0.244 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.370 -9.246 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.899 -7.276 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.198 -8.768 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.586 -8.111 0.587 1.00 0.00 H new ATOM 565 N VAL A 37 -3.180 -8.342 -1.841 1.00 0.00 N ATOM 566 CA VAL A 37 -3.491 -7.629 -3.077 1.00 0.00 C ATOM 567 C VAL A 37 -4.882 -7.998 -3.577 1.00 0.00 C ATOM 568 O VAL A 37 -5.625 -7.150 -4.078 1.00 0.00 O ATOM 569 CB VAL A 37 -2.433 -7.925 -4.171 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.357 -9.409 -4.492 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.715 -7.133 -5.436 1.00 0.00 C ATOM 0 H VAL A 37 -2.302 -8.860 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.471 -6.561 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.468 -7.614 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.605 -9.576 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.085 -9.962 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.327 -9.754 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.957 -7.361 -6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.698 -7.402 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.693 -6.067 -5.210 1.00 0.00 H new ATOM 581 N GLN A 38 -5.228 -9.265 -3.417 1.00 0.00 N ATOM 582 CA GLN A 38 -6.525 -9.764 -3.833 1.00 0.00 C ATOM 583 C GLN A 38 -7.625 -9.074 -3.035 1.00 0.00 C ATOM 584 O GLN A 38 -8.630 -8.643 -3.593 1.00 0.00 O ATOM 585 CB GLN A 38 -6.613 -11.279 -3.611 1.00 0.00 C ATOM 586 CG GLN A 38 -5.340 -12.047 -3.958 1.00 0.00 C ATOM 587 CD GLN A 38 -4.869 -11.900 -5.405 1.00 0.00 C ATOM 588 OE1 GLN A 38 -5.627 -11.204 -6.238 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -3.830 -12.443 -5.776 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.622 -9.970 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.653 -9.552 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.861 -11.466 -2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.434 -11.674 -4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.541 -11.713 -3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.504 -13.105 -3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.266 -12.973 -5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.532 -12.363 -6.748 1.00 0.00 H new ATOM 598 N ALA A 39 -7.421 -8.995 -1.722 1.00 0.00 N ATOM 599 CA ALA A 39 -8.386 -8.389 -0.810 1.00 0.00 C ATOM 600 C ALA A 39 -8.631 -6.923 -1.136 1.00 0.00 C ATOM 601 O ALA A 39 -9.762 -6.451 -1.080 1.00 0.00 O ATOM 602 CB ALA A 39 -7.906 -8.520 0.627 1.00 0.00 C ATOM 0 H ALA A 39 -6.583 -9.349 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.328 -8.923 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.635 -8.064 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.792 -9.575 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.946 -8.015 0.737 1.00 0.00 H new ATOM 608 N LEU A 40 -7.557 -6.194 -1.395 1.00 0.00 N ATOM 609 CA LEU A 40 -7.648 -4.758 -1.635 1.00 0.00 C ATOM 610 C LEU A 40 -8.523 -4.497 -2.847 1.00 0.00 C ATOM 611 O LEU A 40 -9.511 -3.767 -2.776 1.00 0.00 O ATOM 612 CB LEU A 40 -6.266 -4.207 -1.935 1.00 0.00 C ATOM 613 CG LEU A 40 -5.989 -2.762 -1.487 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.661 -2.285 -2.051 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.112 -1.808 -1.877 1.00 0.00 C ATOM 0 H LEU A 40 -6.611 -6.571 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.069 -4.280 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.530 -4.857 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.101 -4.268 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.938 -2.762 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.475 -1.261 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.860 -2.930 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.694 -2.321 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.868 -0.801 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.229 -1.808 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.043 -2.132 -1.411 1.00 0.00 H new ATOM 627 N ALA A 41 -8.138 -5.122 -3.953 1.00 0.00 N ATOM 628 CA ALA A 41 -8.853 -4.998 -5.206 1.00 0.00 C ATOM 629 C ALA A 41 -10.269 -5.518 -5.062 1.00 0.00 C ATOM 630 O ALA A 41 -11.187 -5.056 -5.733 1.00 0.00 O ATOM 631 CB ALA A 41 -8.121 -5.749 -6.305 1.00 0.00 C ATOM 0 H ALA A 41 -7.319 -5.729 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.900 -3.943 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.669 -5.648 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.120 -5.335 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.049 -6.804 -6.039 1.00 0.00 H new ATOM 637 N ALA A 42 -10.432 -6.496 -4.187 1.00 0.00 N ATOM 638 CA ALA A 42 -11.744 -7.092 -3.960 1.00 0.00 C ATOM 639 C ALA A 42 -12.650 -6.129 -3.204 1.00 0.00 C ATOM 640 O ALA A 42 -13.798 -5.908 -3.585 1.00 0.00 O ATOM 641 CB ALA A 42 -11.620 -8.406 -3.206 1.00 0.00 C ATOM 0 H ALA A 42 -9.680 -6.894 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.193 -7.297 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.612 -8.830 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.015 -9.103 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.145 -8.228 -2.241 1.00 0.00 H new ATOM 647 N CYS A 43 -12.122 -5.566 -2.128 1.00 0.00 N ATOM 648 CA CYS A 43 -12.872 -4.634 -1.307 1.00 0.00 C ATOM 649 C CYS A 43 -13.150 -3.310 -2.015 1.00 0.00 C ATOM 650 O CYS A 43 -14.301 -2.881 -2.103 1.00 0.00 O ATOM 651 CB CYS A 43 -12.120 -4.371 -0.010 1.00 0.00 C ATOM 652 SG CYS A 43 -12.587 -5.426 1.368 1.00 0.00 S ATOM 0 H CYS A 43 -11.171 -5.741 -1.803 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.837 -5.097 -1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.053 -4.493 -0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.277 -3.332 0.279 1.00 0.00 H new ATOM 0 HG CYS A 43 -12.009 -6.584 1.243 1.00 0.00 H new ATOM 658 N GLY A 44 -12.100 -2.629 -2.451 1.00 0.00 N ATOM 659 CA GLY A 44 -12.285 -1.329 -3.059 1.00 0.00 C ATOM 660 C GLY A 44 -12.206 -1.354 -4.567 1.00 0.00 C ATOM 661 O GLY A 44 -12.489 -2.369 -5.203 1.00 0.00 O ATOM 0 H GLY A 44 -11.133 -2.950 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.255 -0.931 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.528 -0.645 -2.674 1.00 0.00 H new ATOM 665 N GLU A 45 -11.708 -0.261 -5.120 1.00 0.00 N ATOM 666 CA GLU A 45 -11.444 -0.155 -6.543 1.00 0.00 C ATOM 667 C GLU A 45 -9.968 -0.362 -6.845 1.00 0.00 C ATOM 668 O GLU A 45 -9.236 -0.992 -6.080 1.00 0.00 O ATOM 669 CB GLU A 45 -11.909 1.197 -7.095 1.00 0.00 C ATOM 670 CG GLU A 45 -13.413 1.303 -7.275 1.00 0.00 C ATOM 671 CD GLU A 45 -13.934 0.385 -8.363 1.00 0.00 C ATOM 672 OE1 GLU A 45 -13.117 -0.285 -9.030 1.00 0.00 O ATOM 673 OE2 GLU A 45 -15.161 0.353 -8.578 1.00 0.00 O ATOM 0 H GLU A 45 -11.475 0.580 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.012 -0.943 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.577 1.987 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.425 1.372 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.906 1.061 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.675 2.333 -7.517 1.00 0.00 H new ATOM 680 N ARG A 46 -9.539 0.227 -7.947 1.00 0.00 N ATOM 681 CA ARG A 46 -8.153 0.187 -8.360 1.00 0.00 C ATOM 682 C ARG A 46 -7.261 0.977 -7.422 1.00 0.00 C ATOM 683 O ARG A 46 -7.727 1.820 -6.650 1.00 0.00 O ATOM 684 CB ARG A 46 -7.984 0.634 -9.813 1.00 0.00 C ATOM 685 CG ARG A 46 -8.860 1.801 -10.206 1.00 0.00 C ATOM 686 CD ARG A 46 -8.621 3.030 -9.349 1.00 0.00 C ATOM 687 NE ARG A 46 -9.502 4.139 -9.720 1.00 0.00 N ATOM 688 CZ ARG A 46 -9.451 4.786 -10.887 1.00 0.00 C ATOM 689 NH1 ARG A 46 -8.477 4.550 -11.757 1.00 0.00 N ATOM 690 NH2 ARG A 46 -10.361 5.706 -11.158 1.00 0.00 N ATOM 0 H ARG A 46 -10.146 0.747 -8.580 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.832 -0.853 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.941 0.904 -9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.204 -0.208 -10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.677 2.051 -11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.907 1.507 -10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.779 2.777 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.582 3.344 -9.448 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.202 4.438 -9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.753 3.866 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.453 5.053 -12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.092 5.915 -10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.332 6.206 -12.046 1.00 0.00 H new ATOM 704 N PHE A 47 -6.012 0.582 -7.390 1.00 0.00 N ATOM 705 CA PHE A 47 -5.072 1.107 -6.429 1.00 0.00 C ATOM 706 C PHE A 47 -3.689 1.191 -7.048 1.00 0.00 C ATOM 707 O PHE A 47 -3.366 0.451 -7.984 1.00 0.00 O ATOM 708 CB PHE A 47 -5.058 0.210 -5.185 1.00 0.00 C ATOM 709 CG PHE A 47 -4.627 -1.211 -5.447 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.294 -1.522 -5.682 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.553 -2.242 -5.416 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.900 -2.826 -5.895 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.161 -3.551 -5.624 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.834 -3.842 -5.864 1.00 0.00 C ATOM 0 H PHE A 47 -5.619 -0.111 -8.027 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.375 2.112 -6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.390 0.648 -4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.057 0.199 -4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.557 -0.733 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.593 -2.020 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.861 -3.052 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.893 -4.345 -5.599 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.526 -4.864 -6.028 1.00 0.00 H new ATOM 724 N ALA A 48 -2.851 2.022 -6.472 1.00 0.00 N ATOM 725 CA ALA A 48 -1.475 2.109 -6.903 1.00 0.00 C ATOM 726 C ALA A 48 -0.621 1.267 -5.988 1.00 0.00 C ATOM 727 O ALA A 48 -0.948 1.089 -4.818 1.00 0.00 O ATOM 728 CB ALA A 48 -0.987 3.544 -6.929 1.00 0.00 C ATOM 0 H ALA A 48 -3.098 2.647 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.401 1.732 -7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.052 3.569 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.600 4.124 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.061 3.972 -5.929 1.00 0.00 H new ATOM 734 N TYR A 49 0.415 0.676 -6.533 1.00 0.00 N ATOM 735 CA TYR A 49 1.240 -0.228 -5.773 1.00 0.00 C ATOM 736 C TYR A 49 2.698 0.056 -6.109 1.00 0.00 C ATOM 737 O TYR A 49 3.014 0.459 -7.231 1.00 0.00 O ATOM 738 CB TYR A 49 0.878 -1.685 -6.106 1.00 0.00 C ATOM 739 CG TYR A 49 1.579 -2.238 -7.320 1.00 0.00 C ATOM 740 CD1 TYR A 49 2.903 -2.626 -7.227 1.00 0.00 C ATOM 741 CD2 TYR A 49 0.925 -2.406 -8.529 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.575 -3.145 -8.300 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.589 -2.937 -9.621 1.00 0.00 C ATOM 744 CZ TYR A 49 2.917 -3.303 -9.501 1.00 0.00 C ATOM 745 OH TYR A 49 3.584 -3.830 -10.582 1.00 0.00 O ATOM 0 H TYR A 49 0.706 0.806 -7.502 1.00 0.00 H new ATOM 0 HA TYR A 49 1.075 -0.080 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.117 -2.312 -5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.199 -1.753 -6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.419 -2.517 -6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.112 -2.120 -8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.613 -3.429 -8.207 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.073 -3.065 -10.561 1.00 0.00 H new ATOM 0 HH TYR A 49 2.977 -3.876 -11.350 1.00 0.00 H new ATOM 755 N VAL A 50 3.581 -0.161 -5.159 1.00 0.00 N ATOM 756 CA VAL A 50 4.995 0.057 -5.383 1.00 0.00 C ATOM 757 C VAL A 50 5.773 -1.215 -5.112 1.00 0.00 C ATOM 758 O VAL A 50 5.642 -1.812 -4.044 1.00 0.00 O ATOM 759 CB VAL A 50 5.539 1.181 -4.473 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.010 1.445 -4.748 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.723 2.452 -4.640 1.00 0.00 C ATOM 0 H VAL A 50 3.345 -0.489 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 50 5.120 0.353 -6.424 1.00 0.00 H new ATOM 0 HB VAL A 50 5.446 0.849 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.365 2.241 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.584 0.537 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.137 1.747 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.124 3.230 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.774 2.784 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.685 2.255 -4.373 1.00 0.00 H new ATOM 771 N ASP A 51 6.652 -1.564 -6.041 1.00 0.00 N ATOM 772 CA ASP A 51 7.540 -2.691 -5.852 1.00 0.00 C ATOM 773 C ASP A 51 8.635 -2.332 -4.862 1.00 0.00 C ATOM 774 O ASP A 51 9.226 -1.258 -4.932 1.00 0.00 O ATOM 775 CB ASP A 51 8.142 -3.164 -7.181 1.00 0.00 C ATOM 776 CG ASP A 51 8.879 -2.079 -7.944 1.00 0.00 C ATOM 777 OD1 ASP A 51 8.240 -1.073 -8.319 1.00 0.00 O ATOM 778 OD2 ASP A 51 10.088 -2.247 -8.203 1.00 0.00 O ATOM 0 H ASP A 51 6.765 -1.080 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 51 6.956 -3.518 -5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.829 -3.987 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.344 -3.558 -7.810 1.00 0.00 H new ATOM 783 N ILE A 52 8.829 -3.197 -3.882 1.00 0.00 N ATOM 784 CA ILE A 52 9.768 -2.933 -2.803 1.00 0.00 C ATOM 785 C ILE A 52 10.440 -4.192 -2.293 1.00 0.00 C ATOM 786 O ILE A 52 11.636 -4.175 -2.057 1.00 0.00 O ATOM 787 CB ILE A 52 9.145 -2.132 -1.642 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.654 -2.405 -1.506 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.400 -0.658 -1.827 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.315 -3.781 -1.004 1.00 0.00 C ATOM 0 H ILE A 52 8.347 -4.093 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 52 10.541 -2.305 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 52 9.622 -2.460 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.223 -1.668 -0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.181 -2.260 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.954 -0.105 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.474 -0.475 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.956 -0.327 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.232 -3.888 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.712 -4.527 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.755 -3.927 -0.017 1.00 0.00 H new ATOM 802 N LEU A 53 9.734 -5.324 -2.276 1.00 0.00 N ATOM 803 CA LEU A 53 10.405 -6.590 -1.968 1.00 0.00 C ATOM 804 C LEU A 53 11.449 -6.892 -3.048 1.00 0.00 C ATOM 805 O LEU A 53 12.316 -7.745 -2.873 1.00 0.00 O ATOM 806 CB LEU A 53 9.440 -7.789 -1.809 1.00 0.00 C ATOM 807 CG LEU A 53 8.411 -7.715 -0.667 1.00 0.00 C ATOM 808 CD1 LEU A 53 8.867 -6.746 0.403 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.021 -7.364 -1.181 1.00 0.00 C ATOM 0 H LEU A 53 8.734 -5.393 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 53 10.883 -6.461 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.897 -7.913 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.039 -8.689 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 53 8.342 -8.706 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.125 -6.709 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.822 -7.077 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.983 -5.753 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.324 -7.322 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.051 -6.394 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.692 -8.125 -1.889 1.00 0.00 H new ATOM 821 N GLN A 54 11.366 -6.150 -4.153 1.00 0.00 N ATOM 822 CA GLN A 54 12.303 -6.289 -5.256 1.00 0.00 C ATOM 823 C GLN A 54 13.434 -5.244 -5.167 1.00 0.00 C ATOM 824 O GLN A 54 14.602 -5.596 -5.318 1.00 0.00 O ATOM 825 CB GLN A 54 11.536 -6.210 -6.596 1.00 0.00 C ATOM 826 CG GLN A 54 12.408 -6.341 -7.845 1.00 0.00 C ATOM 827 CD GLN A 54 13.063 -5.038 -8.277 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.547 -3.919 -7.790 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.973 -5.036 -9.103 1.00 0.00 N flip ATOM 0 H GLN A 54 10.649 -5.440 -4.303 1.00 0.00 H new ATOM 0 HA GLN A 54 12.785 -7.265 -5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.782 -6.997 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.006 -5.259 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.185 -7.083 -7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.797 -6.719 -8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.344 -5.918 -9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.357 -4.152 -9.437 1.00 0.00 H new ATOM 838 N ASN A 55 13.097 -3.974 -4.894 1.00 0.00 N ATOM 839 CA ASN A 55 14.119 -2.917 -4.757 1.00 0.00 C ATOM 840 C ASN A 55 14.825 -3.023 -3.420 1.00 0.00 C ATOM 841 O ASN A 55 14.198 -2.881 -2.383 1.00 0.00 O ATOM 842 CB ASN A 55 13.495 -1.518 -4.886 1.00 0.00 C ATOM 843 CG ASN A 55 12.896 -1.266 -6.252 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.591 -1.328 -7.264 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.607 -0.967 -6.293 1.00 0.00 N ATOM 0 H ASN A 55 12.137 -3.653 -4.765 1.00 0.00 H new ATOM 0 HA ASN A 55 14.840 -3.059 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.721 -1.399 -4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.257 -0.765 -4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.156 -0.778 -7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.065 -0.926 -5.430 1.00 0.00 H new ATOM 852 N PRO A 56 16.135 -3.301 -3.426 1.00 0.00 N ATOM 853 CA PRO A 56 16.918 -3.475 -2.203 1.00 0.00 C ATOM 854 C PRO A 56 16.919 -2.245 -1.297 1.00 0.00 C ATOM 855 O PRO A 56 16.834 -2.371 -0.073 1.00 0.00 O ATOM 856 CB PRO A 56 18.333 -3.740 -2.729 1.00 0.00 C ATOM 857 CG PRO A 56 18.128 -4.281 -4.089 1.00 0.00 C ATOM 858 CD PRO A 56 16.954 -3.524 -4.626 1.00 0.00 C ATOM 0 HA PRO A 56 16.507 -4.271 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.926 -2.826 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.865 -4.450 -2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.011 -4.135 -4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.930 -5.353 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.256 -2.585 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.416 -4.095 -5.383 1.00 0.00 H new ATOM 866 N ASP A 57 17.115 -1.072 -1.892 1.00 0.00 N ATOM 867 CA ASP A 57 17.257 0.167 -1.115 1.00 0.00 C ATOM 868 C ASP A 57 15.944 0.558 -0.465 1.00 0.00 C ATOM 869 O ASP A 57 15.872 0.814 0.740 1.00 0.00 O ATOM 870 CB ASP A 57 17.719 1.331 -2.004 1.00 0.00 C ATOM 871 CG ASP A 57 19.038 1.081 -2.701 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.112 0.155 -3.539 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.004 1.822 -2.434 1.00 0.00 O ATOM 0 H ASP A 57 17.180 -0.948 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 57 18.005 -0.028 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.954 1.528 -2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.806 2.230 -1.394 1.00 0.00 H new ATOM 878 N ILE A 58 14.923 0.660 -1.296 1.00 0.00 N ATOM 879 CA ILE A 58 13.605 1.094 -0.866 1.00 0.00 C ATOM 880 C ILE A 58 13.020 0.095 0.133 1.00 0.00 C ATOM 881 O ILE A 58 12.350 0.475 1.092 1.00 0.00 O ATOM 882 CB ILE A 58 12.670 1.257 -2.085 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.347 2.112 -3.162 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.364 1.905 -1.666 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.512 2.295 -4.414 1.00 0.00 C ATOM 0 H ILE A 58 14.984 0.444 -2.291 1.00 0.00 H new ATOM 0 HA ILE A 58 13.697 2.062 -0.373 1.00 0.00 H new ATOM 0 HB ILE A 58 12.461 0.268 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.576 3.092 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.297 1.651 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.716 2.013 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.871 1.281 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.566 2.888 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.058 2.911 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.304 1.322 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.573 2.784 -4.157 1.00 0.00 H new ATOM 897 N ARG A 59 13.321 -1.179 -0.095 1.00 0.00 N ATOM 898 CA ARG A 59 12.886 -2.274 0.771 1.00 0.00 C ATOM 899 C ARG A 59 13.356 -2.089 2.209 1.00 0.00 C ATOM 900 O ARG A 59 12.745 -2.624 3.127 1.00 0.00 O ATOM 901 CB ARG A 59 13.420 -3.596 0.219 1.00 0.00 C ATOM 902 CG ARG A 59 13.053 -4.835 1.016 1.00 0.00 C ATOM 903 CD ARG A 59 13.560 -6.088 0.315 1.00 0.00 C ATOM 904 NE ARG A 59 13.306 -7.309 1.080 1.00 0.00 N ATOM 905 CZ ARG A 59 13.896 -7.610 2.239 1.00 0.00 C ATOM 906 NH1 ARG A 59 14.855 -6.832 2.736 1.00 0.00 N ATOM 907 NH2 ARG A 59 13.549 -8.714 2.886 1.00 0.00 N ATOM 0 H ARG A 59 13.878 -1.485 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 59 11.796 -2.280 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.052 -3.719 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.507 -3.532 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.482 -4.772 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.971 -4.891 1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.082 -6.171 -0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.631 -5.992 0.139 1.00 0.00 H new ATOM 0 HE ARG A 59 12.633 -7.975 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.146 -5.995 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.298 -7.072 3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.834 -9.329 2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.997 -8.948 3.772 1.00 0.00 H new ATOM 921 N ALA A 60 14.527 -1.495 2.387 1.00 0.00 N ATOM 922 CA ALA A 60 15.138 -1.436 3.707 1.00 0.00 C ATOM 923 C ALA A 60 14.754 -0.188 4.508 1.00 0.00 C ATOM 924 O ALA A 60 14.493 -0.287 5.705 1.00 0.00 O ATOM 925 CB ALA A 60 16.651 -1.536 3.589 1.00 0.00 C ATOM 0 H ALA A 60 15.068 -1.052 1.644 1.00 0.00 H new ATOM 0 HA ALA A 60 14.748 -2.289 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.097 -1.491 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.917 -2.480 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 60 17.024 -0.709 2.986 1.00 0.00 H new ATOM 931 N GLU A 61 14.930 0.995 3.921 1.00 0.00 N ATOM 932 CA GLU A 61 14.825 2.236 4.705 1.00 0.00 C ATOM 933 C GLU A 61 13.385 2.656 4.945 1.00 0.00 C ATOM 934 O GLU A 61 12.979 2.931 6.076 1.00 0.00 O ATOM 935 CB GLU A 61 15.550 3.380 4.006 1.00 0.00 C ATOM 936 CG GLU A 61 16.992 3.047 3.657 1.00 0.00 C ATOM 937 CD GLU A 61 17.791 4.254 3.212 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.260 5.380 3.258 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.975 4.085 2.855 1.00 0.00 O ATOM 0 H GLU A 61 15.141 1.126 2.932 1.00 0.00 H new ATOM 0 HA GLU A 61 15.288 2.024 5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.012 3.640 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.532 4.260 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.475 2.599 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.004 2.299 2.864 1.00 0.00 H new ATOM 946 N LEU A 62 12.659 2.777 3.856 1.00 0.00 N ATOM 947 CA LEU A 62 11.288 3.258 3.862 1.00 0.00 C ATOM 948 C LEU A 62 10.343 2.481 4.786 1.00 0.00 C ATOM 949 O LEU A 62 9.566 3.100 5.513 1.00 0.00 O ATOM 950 CB LEU A 62 10.801 3.286 2.426 1.00 0.00 C ATOM 951 CG LEU A 62 9.353 2.861 2.175 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.339 3.812 2.777 1.00 0.00 C ATOM 953 CD2 LEU A 62 9.141 2.749 0.701 1.00 0.00 C ATOM 0 H LEU A 62 13.006 2.542 2.926 1.00 0.00 H new ATOM 0 HA LEU A 62 11.281 4.261 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.927 4.299 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.451 2.640 1.835 1.00 0.00 H new ATOM 0 HG LEU A 62 9.197 1.901 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.332 3.453 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.484 3.863 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.470 4.804 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.113 2.446 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.332 3.714 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.823 2.005 0.291 1.00 0.00 H new ATOM 965 N PRO A 63 10.374 1.143 4.808 1.00 0.00 N ATOM 966 CA PRO A 63 9.493 0.374 5.684 1.00 0.00 C ATOM 967 C PRO A 63 9.693 0.748 7.136 1.00 0.00 C ATOM 968 O PRO A 63 8.728 0.884 7.896 1.00 0.00 O ATOM 969 CB PRO A 63 9.922 -1.071 5.452 1.00 0.00 C ATOM 970 CG PRO A 63 11.279 -0.967 4.869 1.00 0.00 C ATOM 971 CD PRO A 63 11.247 0.264 4.026 1.00 0.00 C ATOM 0 HA PRO A 63 8.440 0.554 5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.933 -1.636 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.238 -1.584 4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.038 -0.892 5.648 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.520 -1.847 4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.240 0.691 3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.845 0.068 3.032 1.00 0.00 H new ATOM 979 N LYS A 64 10.958 0.916 7.506 1.00 0.00 N ATOM 980 CA LYS A 64 11.323 1.270 8.864 1.00 0.00 C ATOM 981 C LYS A 64 10.723 2.606 9.250 1.00 0.00 C ATOM 982 O LYS A 64 10.348 2.810 10.406 1.00 0.00 O ATOM 983 CB LYS A 64 12.840 1.278 9.052 1.00 0.00 C ATOM 984 CG LYS A 64 13.469 -0.088 8.847 1.00 0.00 C ATOM 985 CD LYS A 64 14.954 -0.121 9.200 1.00 0.00 C ATOM 986 CE LYS A 64 15.829 0.675 8.236 1.00 0.00 C ATOM 987 NZ LYS A 64 15.575 2.137 8.282 1.00 0.00 N ATOM 0 H LYS A 64 11.752 0.810 6.874 1.00 0.00 H new ATOM 0 HA LYS A 64 10.914 0.507 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.284 1.985 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.075 1.633 10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.940 -0.820 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.342 -0.388 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.088 0.272 10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.293 -1.157 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.877 0.488 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.659 0.316 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.449 2.649 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.834 2.382 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.264 2.405 9.237 1.00 0.00 H new ATOM 1001 N TYR A 65 10.587 3.499 8.275 1.00 0.00 N ATOM 1002 CA TYR A 65 9.972 4.786 8.531 1.00 0.00 C ATOM 1003 C TYR A 65 8.516 4.586 8.955 1.00 0.00 C ATOM 1004 O TYR A 65 8.043 5.269 9.868 1.00 0.00 O ATOM 1005 CB TYR A 65 10.141 5.750 7.315 1.00 0.00 C ATOM 1006 CG TYR A 65 8.885 6.154 6.532 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.753 6.671 7.165 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.848 6.036 5.143 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.636 7.053 6.449 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.726 6.415 4.425 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.628 6.920 5.084 1.00 0.00 C ATOM 1012 OH TYR A 65 5.521 7.313 4.369 1.00 0.00 O ATOM 0 H TYR A 65 10.892 3.353 7.313 1.00 0.00 H new ATOM 0 HA TYR A 65 10.484 5.276 9.359 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.616 6.662 7.676 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.835 5.285 6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.751 6.775 8.240 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.707 5.643 4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.774 7.454 6.961 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.713 6.315 3.350 1.00 0.00 H new ATOM 0 HH TYR A 65 4.774 6.710 4.565 1.00 0.00 H new ATOM 1022 N ALA A 66 7.780 3.692 8.277 1.00 0.00 N ATOM 1023 CA ALA A 66 6.373 3.513 8.622 1.00 0.00 C ATOM 1024 C ALA A 66 6.185 2.663 9.881 1.00 0.00 C ATOM 1025 O ALA A 66 5.765 3.181 10.917 1.00 0.00 O ATOM 1026 CB ALA A 66 5.662 2.843 7.463 1.00 0.00 C ATOM 0 H ALA A 66 8.123 3.105 7.517 1.00 0.00 H new ATOM 0 HA ALA A 66 5.954 4.499 8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.610 2.705 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.746 3.469 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.119 1.873 7.268 1.00 0.00 H new ATOM 1032 N ASN A 67 6.711 1.440 9.857 1.00 0.00 N ATOM 1033 CA ASN A 67 6.824 0.614 11.061 1.00 0.00 C ATOM 1034 C ASN A 67 7.579 -0.673 10.751 1.00 0.00 C ATOM 1035 O ASN A 67 8.521 -1.056 11.446 1.00 0.00 O ATOM 1036 CB ASN A 67 5.450 0.282 11.657 1.00 0.00 C ATOM 1037 CG ASN A 67 5.556 -0.613 12.882 1.00 0.00 C ATOM 1038 OD1 ASN A 67 6.243 -0.283 13.852 1.00 0.00 O ATOM 1039 ND2 ASN A 67 4.871 -1.745 12.851 1.00 0.00 N ATOM 0 H ASN A 67 7.068 0.995 9.011 1.00 0.00 H new ATOM 0 HA ASN A 67 7.379 1.191 11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.940 1.207 11.928 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.837 -0.210 10.902 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.900 -2.380 13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.314 -1.982 12.030 1.00 0.00 H new ATOM 1046 N TRP A 68 7.065 -1.368 9.736 1.00 0.00 N ATOM 1047 CA TRP A 68 7.555 -2.679 9.314 1.00 0.00 C ATOM 1048 C TRP A 68 9.042 -2.689 8.988 1.00 0.00 C ATOM 1049 O TRP A 68 9.565 -1.742 8.423 1.00 0.00 O ATOM 1050 CB TRP A 68 6.798 -3.155 8.070 1.00 0.00 C ATOM 1051 CG TRP A 68 5.456 -3.791 8.311 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.100 -5.047 7.920 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.290 -3.223 8.937 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.803 -5.309 8.279 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.283 -4.209 8.904 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.999 -1.994 9.530 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 2.013 -3.999 9.434 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.736 -1.787 10.056 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.759 -2.785 10.007 1.00 0.00 C ATOM 0 H TRP A 68 6.283 -1.029 9.175 1.00 0.00 H new ATOM 0 HA TRP A 68 7.386 -3.344 10.161 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.658 -2.301 7.407 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.426 -3.871 7.540 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.748 -5.738 7.401 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.306 -6.183 8.108 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.747 -1.217 9.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.256 -4.768 9.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.501 -0.837 10.513 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.784 -2.593 10.430 1.00 0.00 H new ATOM 1070 N PRO A 69 9.710 -3.827 9.223 1.00 0.00 N ATOM 1071 CA PRO A 69 11.103 -4.020 8.813 1.00 0.00 C ATOM 1072 C PRO A 69 11.231 -3.920 7.298 1.00 0.00 C ATOM 1073 O PRO A 69 12.164 -3.310 6.774 1.00 0.00 O ATOM 1074 CB PRO A 69 11.436 -5.443 9.283 1.00 0.00 C ATOM 1075 CG PRO A 69 10.343 -5.813 10.228 1.00 0.00 C ATOM 1076 CD PRO A 69 9.131 -5.058 9.772 1.00 0.00 C ATOM 0 HA PRO A 69 11.772 -3.269 9.233 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.479 -6.135 8.442 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.409 -5.477 9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.162 -6.888 10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.606 -5.548 11.252 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.567 -5.611 9.021 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.448 -4.852 10.596 1.00 0.00 H new ATOM 1084 N THR A 70 10.236 -4.474 6.614 1.00 0.00 N ATOM 1085 CA THR A 70 10.134 -4.414 5.164 1.00 0.00 C ATOM 1086 C THR A 70 8.666 -4.263 4.768 1.00 0.00 C ATOM 1087 O THR A 70 7.983 -3.377 5.268 1.00 0.00 O ATOM 1088 CB THR A 70 10.763 -5.657 4.503 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.183 -6.851 5.039 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.268 -5.677 4.722 1.00 0.00 C ATOM 0 H THR A 70 9.471 -4.982 7.057 1.00 0.00 H new ATOM 0 HA THR A 70 10.692 -3.549 4.807 1.00 0.00 H new ATOM 0 HB THR A 70 10.564 -5.611 3.432 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.589 -7.633 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.693 -6.562 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.711 -4.783 4.284 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.480 -5.701 5.791 1.00 0.00 H new ATOM 1098 N PHE A 71 8.167 -5.112 3.886 1.00 0.00 N ATOM 1099 CA PHE A 71 6.776 -5.027 3.462 1.00 0.00 C ATOM 1100 C PHE A 71 6.201 -6.443 3.386 1.00 0.00 C ATOM 1101 O PHE A 71 6.878 -7.380 3.808 1.00 0.00 O ATOM 1102 CB PHE A 71 6.693 -4.289 2.112 1.00 0.00 C ATOM 1103 CG PHE A 71 7.298 -2.906 2.137 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.670 -2.741 2.074 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.499 -1.775 2.209 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.233 -1.488 2.089 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.061 -0.511 2.226 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.429 -0.370 2.168 1.00 0.00 C ATOM 0 H PHE A 71 8.699 -5.865 3.450 1.00 0.00 H new ATOM 0 HA PHE A 71 6.183 -4.458 4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.199 -4.883 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.647 -4.213 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.308 -3.610 2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.425 -1.882 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.306 -1.378 2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.428 0.362 2.285 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.872 0.615 2.184 1.00 0.00 H new ATOM 1118 N PRO A 72 4.983 -6.675 2.846 1.00 0.00 N ATOM 1119 CA PRO A 72 4.063 -5.655 2.294 1.00 0.00 C ATOM 1120 C PRO A 72 3.487 -4.693 3.328 1.00 0.00 C ATOM 1121 O PRO A 72 3.284 -5.057 4.489 1.00 0.00 O ATOM 1122 CB PRO A 72 2.933 -6.484 1.687 1.00 0.00 C ATOM 1123 CG PRO A 72 2.952 -7.758 2.450 1.00 0.00 C ATOM 1124 CD PRO A 72 4.393 -8.023 2.765 1.00 0.00 C ATOM 0 HA PRO A 72 4.595 -5.011 1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.973 -5.977 1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.095 -6.657 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.361 -7.677 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.524 -8.571 1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.505 -8.567 3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.869 -8.623 1.990 1.00 0.00 H new ATOM 1132 N GLN A 73 3.096 -3.510 2.852 1.00 0.00 N ATOM 1133 CA GLN A 73 2.390 -2.535 3.674 1.00 0.00 C ATOM 1134 C GLN A 73 1.419 -1.744 2.802 1.00 0.00 C ATOM 1135 O GLN A 73 1.777 -1.274 1.721 1.00 0.00 O ATOM 1136 CB GLN A 73 3.344 -1.547 4.340 1.00 0.00 C ATOM 1137 CG GLN A 73 4.463 -2.174 5.150 1.00 0.00 C ATOM 1138 CD GLN A 73 5.304 -1.125 5.852 1.00 0.00 C ATOM 1139 OE1 GLN A 73 4.806 -0.361 6.673 1.00 0.00 O ATOM 1140 NE2 GLN A 73 6.584 -1.085 5.547 1.00 0.00 N ATOM 0 H GLN A 73 3.260 -3.205 1.892 1.00 0.00 H new ATOM 0 HA GLN A 73 1.863 -3.088 4.452 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.785 -0.917 3.568 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.766 -0.893 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.040 -2.855 5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.098 -2.770 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.965 -1.735 4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.195 -0.404 5.998 1.00 0.00 H new ATOM 1149 N LEU A 74 0.198 -1.613 3.281 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.848 -0.887 2.573 1.00 0.00 C ATOM 1151 C LEU A 74 -0.928 0.549 3.089 1.00 0.00 C ATOM 1152 O LEU A 74 -0.859 0.779 4.297 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.180 -1.645 2.742 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.418 -1.093 2.008 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.945 0.176 2.656 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.086 -0.831 0.554 1.00 0.00 C ATOM 0 H LEU A 74 -0.102 -2.006 4.173 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.622 -0.830 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.025 -2.672 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.411 -1.683 3.807 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.202 -1.848 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.817 0.530 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.226 -0.032 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.170 0.942 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.967 -0.441 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.278 -0.102 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.774 -1.761 0.079 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.100 1.499 2.173 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.225 2.905 2.525 1.00 0.00 C ATOM 1170 C TRP A 75 -2.516 3.496 1.948 1.00 0.00 C ATOM 1171 O TRP A 75 -2.760 3.439 0.743 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.028 3.692 2.005 1.00 0.00 C ATOM 1173 CG TRP A 75 1.286 3.268 2.591 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.993 2.127 2.328 1.00 0.00 C ATOM 1175 CD2 TRP A 75 2.026 3.976 3.582 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.153 2.114 3.068 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.188 3.239 3.850 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.816 5.176 4.257 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 4.139 3.669 4.766 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.763 5.602 5.169 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.910 4.849 5.414 1.00 0.00 C ATOM 0 H TRP A 75 -1.156 1.314 1.171 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.258 2.978 3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.019 3.587 0.921 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.183 4.750 2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.686 1.352 1.642 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.868 1.387 3.039 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.929 5.763 4.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 5.030 3.090 4.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.612 6.531 5.699 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.633 5.207 6.132 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.299 4.122 2.809 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.527 4.797 2.404 1.00 0.00 C ATOM 1194 C VAL A 76 -4.346 6.302 2.572 1.00 0.00 C ATOM 1195 O VAL A 76 -4.025 6.749 3.671 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.717 4.337 3.280 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.005 5.031 2.881 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.890 2.834 3.213 1.00 0.00 C ATOM 0 H VAL A 76 -3.105 4.179 3.809 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.736 4.550 1.363 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.488 4.617 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.818 4.683 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.889 6.109 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.235 4.801 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.733 2.537 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.079 2.535 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.983 2.347 3.572 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.496 7.068 1.483 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.287 8.530 1.516 1.00 0.00 C ATOM 1210 C ASP A 77 -2.866 8.812 2.018 1.00 0.00 C ATOM 1211 O ASP A 77 -2.557 9.820 2.647 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.344 9.160 2.423 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.426 10.690 2.387 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.477 11.382 2.796 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.460 11.221 1.927 1.00 0.00 O ATOM 0 H ASP A 77 -4.761 6.704 0.568 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.391 8.965 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.319 8.756 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.147 8.849 3.449 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.012 7.864 1.732 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.627 7.939 2.142 1.00 0.00 C ATOM 1222 C GLY A 78 -0.431 7.702 3.628 1.00 0.00 C ATOM 1223 O GLY A 78 0.544 8.177 4.211 1.00 0.00 O ATOM 0 H GLY A 78 -2.252 7.020 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.049 7.203 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.230 8.920 1.881 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.314 6.916 4.234 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.174 6.565 5.640 1.00 0.00 C ATOM 1229 C GLU A 79 -1.214 5.054 5.827 1.00 0.00 C ATOM 1230 O GLU A 79 -1.998 4.357 5.182 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.238 7.249 6.499 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.157 8.767 6.461 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.113 9.432 7.425 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -2.999 9.188 8.642 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -3.970 10.222 6.977 1.00 0.00 O ATOM 0 H GLU A 79 -2.130 6.512 3.775 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.201 6.926 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.225 6.936 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.134 6.912 7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.139 9.077 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.371 9.112 5.449 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.256 4.551 6.593 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.044 3.119 6.742 1.00 0.00 C ATOM 1244 C LEU A 80 -1.207 2.418 7.442 1.00 0.00 C ATOM 1245 O LEU A 80 -1.620 2.801 8.539 1.00 0.00 O ATOM 1246 CB LEU A 80 1.255 2.876 7.515 1.00 0.00 C ATOM 1247 CG LEU A 80 1.547 1.418 7.851 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.815 0.616 6.590 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.716 1.326 8.817 1.00 0.00 C ATOM 0 H LEU A 80 0.396 5.125 7.128 1.00 0.00 H new ATOM 0 HA LEU A 80 0.024 2.693 5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.086 3.271 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.219 3.446 8.443 1.00 0.00 H new ATOM 0 HG LEU A 80 0.669 0.990 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.021 -0.421 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.941 0.658 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.676 1.035 6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.915 0.280 9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.601 1.771 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.473 1.861 9.735 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.634 1.312 6.846 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.635 0.435 7.439 1.00 0.00 C ATOM 1263 C VAL A 81 -1.993 -0.892 7.861 1.00 0.00 C ATOM 1264 O VAL A 81 -2.134 -1.333 9.000 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.795 0.159 6.445 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.750 -0.894 6.986 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.559 1.438 6.137 1.00 0.00 C ATOM 0 H VAL A 81 -1.295 0.998 5.937 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.043 0.937 8.317 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.351 -0.219 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.550 -1.064 6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.208 -1.825 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.176 -0.549 7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.367 1.220 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.976 1.844 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.882 2.168 5.693 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.304 -1.527 6.921 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.667 -2.814 7.174 1.00 0.00 C ATOM 1279 C GLY A 82 -0.778 -3.708 5.959 1.00 0.00 C ATOM 1280 O GLY A 82 -1.770 -3.630 5.250 1.00 0.00 O ATOM 0 H GLY A 82 -1.172 -1.171 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.382 -2.663 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.136 -3.296 8.032 1.00 0.00 H new ATOM 1284 N GLY A 83 0.308 -4.371 5.586 1.00 0.00 N ATOM 1285 CA GLY A 83 0.332 -5.038 4.294 1.00 0.00 C ATOM 1286 C GLY A 83 -0.253 -6.443 4.251 1.00 0.00 C ATOM 1287 O GLY A 83 -1.083 -6.726 3.399 1.00 0.00 O ATOM 0 H GLY A 83 1.159 -4.460 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.210 -4.419 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.366 -5.087 3.953 1.00 0.00 H new ATOM 1291 N CYS A 84 0.332 -7.378 4.990 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.016 -8.790 4.793 1.00 0.00 C ATOM 1293 C CYS A 84 -1.347 -9.192 5.436 1.00 0.00 C ATOM 1294 O CYS A 84 -2.308 -9.514 4.739 1.00 0.00 O ATOM 1295 CB CYS A 84 1.119 -9.674 5.321 1.00 0.00 C ATOM 1296 SG CYS A 84 1.672 -9.232 6.988 1.00 0.00 S ATOM 0 H CYS A 84 1.030 -7.199 5.712 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.146 -8.937 3.721 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.788 -10.713 5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.966 -9.609 4.638 1.00 0.00 H new ATOM 0 HG CYS A 84 1.032 -9.951 7.862 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.369 -9.245 6.758 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.550 -9.703 7.491 1.00 0.00 C ATOM 1304 C ASP A 85 -3.583 -8.604 7.600 1.00 0.00 C ATOM 1305 O ASP A 85 -4.787 -8.860 7.562 1.00 0.00 O ATOM 1306 CB ASP A 85 -2.162 -10.195 8.887 1.00 0.00 C ATOM 1307 CG ASP A 85 -1.171 -11.345 8.850 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -1.488 -12.399 8.264 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -0.063 -11.194 9.410 1.00 0.00 O ATOM 0 H ASP A 85 -0.584 -8.977 7.351 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.986 -10.532 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.732 -9.368 9.452 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.060 -10.511 9.418 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.098 -7.398 7.846 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.963 -6.258 8.095 1.00 0.00 C ATOM 1316 C ILE A 86 -4.948 -6.049 6.947 1.00 0.00 C ATOM 1317 O ILE A 86 -6.144 -5.867 7.179 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.140 -4.972 8.310 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.140 -5.162 9.456 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.064 -3.801 8.604 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.784 -5.457 10.795 1.00 0.00 C ATOM 0 H ILE A 86 -2.101 -7.183 7.879 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.525 -6.474 9.004 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.583 -4.758 7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.464 -5.978 9.202 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.533 -4.261 9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.471 -2.899 8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.743 -3.654 7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.641 -4.010 9.505 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.010 -5.578 11.552 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.438 -4.631 11.074 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.368 -6.374 10.724 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.450 -6.114 5.715 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.306 -5.966 4.545 1.00 0.00 C ATOM 1335 C VAL A 87 -6.396 -7.029 4.522 1.00 0.00 C ATOM 1336 O VAL A 87 -7.563 -6.704 4.357 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.508 -6.025 3.221 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.444 -5.991 2.019 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.528 -4.870 3.141 1.00 0.00 C ATOM 0 H VAL A 87 -3.464 -6.267 5.503 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.762 -4.979 4.625 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.955 -6.964 3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.858 -6.034 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.119 -6.846 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.025 -5.069 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.975 -4.927 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.073 -3.927 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.831 -4.925 3.977 1.00 0.00 H new ATOM 1349 N ILE A 88 -6.025 -8.293 4.709 1.00 0.00 N ATOM 1350 CA ILE A 88 -7.012 -9.370 4.710 1.00 0.00 C ATOM 1351 C ILE A 88 -8.047 -9.176 5.810 1.00 0.00 C ATOM 1352 O ILE A 88 -9.247 -9.301 5.563 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.368 -10.763 4.867 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.489 -11.084 3.656 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.447 -11.830 5.045 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.260 -11.156 2.355 1.00 0.00 C ATOM 0 H ILE A 88 -5.062 -8.594 4.860 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.501 -9.325 3.737 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.739 -10.757 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.713 -10.324 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.985 -12.036 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.977 -12.808 5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.035 -11.608 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.100 -11.837 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.576 -11.387 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.018 -11.936 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.742 -10.197 2.164 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.593 -8.909 7.028 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.524 -8.756 8.135 1.00 0.00 C ATOM 1370 C GLU A 89 -9.469 -7.587 7.886 1.00 0.00 C ATOM 1371 O GLU A 89 -10.683 -7.752 7.937 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.790 -8.550 9.461 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.732 -8.472 10.655 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.006 -8.270 11.966 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.153 -9.113 12.317 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.299 -7.278 12.665 1.00 0.00 O ATOM 0 H GLU A 89 -6.609 -8.796 7.270 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.102 -9.678 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.087 -9.369 9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.204 -7.633 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.434 -7.652 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.319 -9.389 10.708 1.00 0.00 H new ATOM 1383 N MET A 90 -8.908 -6.415 7.600 1.00 0.00 N ATOM 1384 CA MET A 90 -9.707 -5.216 7.341 1.00 0.00 C ATOM 1385 C MET A 90 -10.593 -5.378 6.108 1.00 0.00 C ATOM 1386 O MET A 90 -11.735 -4.923 6.099 1.00 0.00 O ATOM 1387 CB MET A 90 -8.818 -3.977 7.252 1.00 0.00 C ATOM 1388 CG MET A 90 -8.156 -3.643 8.579 1.00 0.00 C ATOM 1389 SD MET A 90 -7.288 -2.066 8.556 1.00 0.00 S ATOM 1390 CE MET A 90 -8.638 -0.934 8.231 1.00 0.00 C ATOM 0 H MET A 90 -7.900 -6.268 7.541 1.00 0.00 H new ATOM 0 HA MET A 90 -10.380 -5.076 8.187 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.050 -4.138 6.496 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.416 -3.127 6.923 1.00 0.00 H new ATOM 0 HG2 MET A 90 -8.914 -3.623 9.362 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.453 -4.435 8.837 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.501 -0.026 8.819 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.653 -0.681 7.171 1.00 0.00 H new ATOM 0 HE3 MET A 90 -9.582 -1.405 8.505 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.121 -6.165 5.158 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.920 -6.585 4.005 1.00 0.00 C ATOM 1402 C TYR A 91 -12.186 -7.298 4.459 1.00 0.00 C ATOM 1403 O TYR A 91 -13.295 -6.916 4.088 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.045 -7.525 3.171 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.751 -8.478 2.232 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.401 -8.044 1.091 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.730 -9.836 2.497 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.006 -8.932 0.235 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.334 -10.737 1.656 1.00 0.00 C ATOM 1410 CZ TYR A 91 -11.974 -10.283 0.519 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.566 -11.181 -0.339 1.00 0.00 O ATOM 0 H TYR A 91 -9.171 -6.536 5.158 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.230 -5.721 3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.361 -6.915 2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.436 -8.115 3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.434 -6.988 0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.228 -10.194 3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.504 -8.576 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.309 -11.793 1.881 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.451 -12.090 0.009 1.00 0.00 H new ATOM 1421 N GLN A 92 -12.009 -8.295 5.309 1.00 0.00 N ATOM 1422 CA GLN A 92 -13.133 -9.027 5.874 1.00 0.00 C ATOM 1423 C GLN A 92 -13.991 -8.094 6.730 1.00 0.00 C ATOM 1424 O GLN A 92 -15.221 -8.135 6.679 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.626 -10.208 6.703 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.740 -11.159 5.911 1.00 0.00 C ATOM 1427 CD GLN A 92 -11.263 -12.339 6.731 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.617 -12.177 7.770 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.569 -13.536 6.263 1.00 0.00 N ATOM 0 H GLN A 92 -11.095 -8.618 5.625 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.750 -9.414 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.068 -9.830 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.479 -10.760 7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.291 -11.524 5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.876 -10.613 5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.105 -13.624 5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.269 -14.372 6.765 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.315 -7.230 7.488 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.969 -6.238 8.342 1.00 0.00 C ATOM 1440 C ARG A 93 -14.852 -5.294 7.524 1.00 0.00 C ATOM 1441 O ARG A 93 -15.833 -4.756 8.032 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.919 -5.413 9.090 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.994 -6.235 9.970 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.734 -6.888 11.127 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.251 -5.897 12.072 1.00 0.00 N ATOM 1446 CZ ARG A 93 -12.476 -5.103 12.818 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -11.155 -5.264 12.823 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -13.026 -4.170 13.581 1.00 0.00 N ATOM 0 H ARG A 93 -12.296 -7.198 7.527 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.596 -6.777 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.319 -4.865 8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.427 -4.673 9.708 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.512 -7.005 9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.203 -5.595 10.361 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.559 -7.485 10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.063 -7.571 11.648 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.263 -5.807 12.167 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.728 -5.996 12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.569 -4.655 13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.040 -4.058 13.599 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.436 -3.564 14.151 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.424 -5.000 6.300 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.111 -4.016 5.482 1.00 0.00 C ATOM 1464 C GLY A 94 -14.560 -2.615 5.682 1.00 0.00 C ATOM 1465 O GLY A 94 -14.703 -1.755 4.821 1.00 0.00 O ATOM 0 H GLY A 94 -13.610 -5.428 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.021 -4.293 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.174 -4.024 5.724 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.961 -2.376 6.837 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.424 -1.061 7.178 1.00 0.00 C ATOM 1471 C GLU A 95 -12.343 -0.599 6.191 1.00 0.00 C ATOM 1472 O GLU A 95 -12.160 0.594 5.980 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.874 -1.083 8.602 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.928 -1.455 9.632 1.00 0.00 C ATOM 1475 CD GLU A 95 -13.406 -1.446 11.054 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.220 -1.117 11.260 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -14.193 -1.762 11.973 1.00 0.00 O ATOM 0 H GLU A 95 -13.832 -3.081 7.563 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.241 -0.342 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.050 -1.794 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.465 -0.102 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.763 -0.759 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.317 -2.447 9.401 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.622 -1.550 5.610 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.539 -1.246 4.664 1.00 0.00 C ATOM 1486 C LEU A 96 -11.091 -0.518 3.451 1.00 0.00 C ATOM 1487 O LEU A 96 -10.682 0.598 3.141 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.829 -2.553 4.260 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.601 -2.435 3.337 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.828 -3.738 3.342 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.998 -2.113 1.903 1.00 0.00 C ATOM 0 H LEU A 96 -11.764 -2.547 5.775 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.810 -0.590 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.518 -3.063 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.560 -3.196 3.769 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.986 -1.620 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.961 -3.649 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.496 -3.960 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.470 -4.543 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.103 -2.038 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.640 -2.904 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.536 -1.165 1.878 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.081 -1.125 2.825 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.775 -0.508 1.694 1.00 0.00 C ATOM 1505 C GLN A 97 -13.503 0.755 2.103 1.00 0.00 C ATOM 1506 O GLN A 97 -13.660 1.665 1.304 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.745 -1.475 1.029 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.658 -2.200 1.993 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.527 -3.220 1.301 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.378 -2.880 0.481 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.293 -4.485 1.602 1.00 0.00 N ATOM 0 H GLN A 97 -12.429 -2.050 3.077 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.006 -0.242 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.355 -0.925 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.175 -2.211 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.057 -2.695 2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.290 -1.475 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.577 -4.722 2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.828 -5.225 1.148 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.880 0.832 3.364 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.511 2.027 3.899 1.00 0.00 C ATOM 1522 C GLN A 98 -13.545 3.197 3.817 1.00 0.00 C ATOM 1523 O GLN A 98 -13.898 4.283 3.352 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.958 1.795 5.344 1.00 0.00 C ATOM 1525 CG GLN A 98 -16.185 0.904 5.479 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.410 1.492 4.799 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.832 2.606 5.108 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.999 0.745 3.879 1.00 0.00 N ATOM 0 H GLN A 98 -13.761 0.079 4.041 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.395 2.259 3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.134 1.348 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.169 2.759 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.969 -0.074 5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.401 0.746 6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -17.620 -0.174 3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.832 1.088 3.400 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.308 2.936 4.206 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.251 3.927 4.123 1.00 0.00 C ATOM 1539 C LEU A 99 -10.888 4.185 2.672 1.00 0.00 C ATOM 1540 O LEU A 99 -10.735 5.334 2.259 1.00 0.00 O ATOM 1541 CB LEU A 99 -10.007 3.439 4.868 1.00 0.00 C ATOM 1542 CG LEU A 99 -10.257 2.872 6.265 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.941 2.477 6.920 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -11.007 3.873 7.131 1.00 0.00 C ATOM 0 H LEU A 99 -12.011 2.037 4.586 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.610 4.849 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.521 2.672 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.306 4.269 4.952 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.877 1.981 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.136 2.075 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.445 1.719 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.298 3.353 7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -11.173 3.446 8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.419 4.786 7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.967 4.105 6.670 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.714 3.103 1.914 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.320 3.208 0.515 1.00 0.00 C ATOM 1558 C ILE A 100 -11.357 3.982 -0.277 1.00 0.00 C ATOM 1559 O ILE A 100 -11.011 4.865 -1.046 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.109 1.824 -0.144 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -8.996 1.046 0.564 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.778 1.986 -1.624 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.638 1.712 0.494 1.00 0.00 C ATOM 0 H ILE A 100 -10.840 2.147 2.247 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.368 3.739 0.501 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.036 1.258 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.270 0.912 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.925 0.052 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.632 1.004 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.599 2.497 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.866 2.573 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.905 1.099 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.340 1.822 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.690 2.695 0.962 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.628 3.647 -0.078 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.712 4.306 -0.781 1.00 0.00 C ATOM 1577 C LYS A 101 -13.672 5.804 -0.578 1.00 0.00 C ATOM 1578 O LYS A 101 -13.736 6.569 -1.536 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.065 3.795 -0.291 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.215 4.523 -0.948 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.569 4.121 -0.392 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.737 4.501 1.072 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.120 4.230 1.559 1.00 0.00 N ATOM 0 H LYS A 101 -12.929 2.918 0.569 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.586 4.079 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.146 2.728 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.129 3.917 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.080 5.597 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.196 4.327 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.354 4.597 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.697 3.044 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.023 3.942 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.507 5.558 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.446 5.028 2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.757 4.111 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.123 3.361 2.131 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.639 6.219 0.675 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.682 7.633 0.983 1.00 0.00 C ATOM 1599 C GLU A 102 -12.450 8.325 0.431 1.00 0.00 C ATOM 1600 O GLU A 102 -12.546 9.377 -0.195 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.798 7.859 2.489 1.00 0.00 C ATOM 1602 CG GLU A 102 -14.001 9.320 2.854 1.00 0.00 C ATOM 1603 CD GLU A 102 -14.244 9.520 4.329 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -15.183 8.899 4.866 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -13.516 10.315 4.952 1.00 0.00 O ATOM 0 H GLU A 102 -13.583 5.604 1.486 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.565 8.063 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.632 7.274 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.896 7.490 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.123 9.891 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.847 9.717 2.293 1.00 0.00 H new ATOM 1612 N THR A 103 -11.303 7.698 0.635 1.00 0.00 N ATOM 1613 CA THR A 103 -10.041 8.215 0.139 1.00 0.00 C ATOM 1614 C THR A 103 -10.016 8.271 -1.385 1.00 0.00 C ATOM 1615 O THR A 103 -9.645 9.287 -1.971 1.00 0.00 O ATOM 1616 CB THR A 103 -8.880 7.355 0.645 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.917 7.303 2.074 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.553 7.912 0.189 1.00 0.00 C ATOM 0 H THR A 103 -11.222 6.820 1.147 1.00 0.00 H new ATOM 0 HA THR A 103 -9.932 9.232 0.516 1.00 0.00 H new ATOM 0 HB THR A 103 -8.986 6.351 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.588 6.648 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.746 7.282 0.563 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.522 7.933 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.431 8.924 0.575 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.431 7.197 -2.029 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.462 7.164 -3.474 1.00 0.00 C ATOM 1628 C ALA A 104 -11.416 8.222 -4.008 1.00 0.00 C ATOM 1629 O ALA A 104 -11.093 8.942 -4.950 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.860 5.791 -3.975 1.00 0.00 C ATOM 0 H ALA A 104 -10.749 6.341 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.459 7.381 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.876 5.792 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.140 5.052 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.851 5.539 -3.598 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.590 8.306 -3.400 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.602 9.266 -3.810 1.00 0.00 C ATOM 1638 C ALA A 105 -13.095 10.703 -3.688 1.00 0.00 C ATOM 1639 O ALA A 105 -13.313 11.521 -4.574 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.871 9.081 -2.994 1.00 0.00 C ATOM 0 H ALA A 105 -12.866 7.716 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.827 9.081 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.618 9.807 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.257 8.073 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.649 9.230 -1.937 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.431 11.017 -2.582 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.921 12.368 -2.372 1.00 0.00 C ATOM 1648 C LYS A 106 -10.751 12.687 -3.307 1.00 0.00 C ATOM 1649 O LYS A 106 -10.637 13.815 -3.788 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.613 12.627 -0.880 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.701 11.614 -0.205 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.228 11.971 -0.291 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.919 13.226 0.510 1.00 0.00 C ATOM 1654 NZ LYS A 106 -7.457 13.490 0.596 1.00 0.00 N ATOM 0 H LYS A 106 -12.234 10.363 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.708 13.073 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.159 13.614 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.556 12.658 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.984 11.525 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.857 10.636 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.628 11.141 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.948 12.124 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.415 14.081 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.328 13.124 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.298 14.428 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.008 12.764 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.043 13.462 -0.357 1.00 0.00 H new ATOM 1668 N TYR A 107 -9.932 11.692 -3.640 1.00 0.00 N ATOM 1669 CA TYR A 107 -8.852 11.919 -4.602 1.00 0.00 C ATOM 1670 C TYR A 107 -9.323 11.927 -6.060 1.00 0.00 C ATOM 1671 O TYR A 107 -8.949 12.820 -6.820 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.732 10.895 -4.473 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.813 11.092 -3.295 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.797 12.031 -3.357 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -6.940 10.337 -2.137 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -4.935 12.217 -2.302 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.082 10.513 -1.083 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.076 11.456 -1.167 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.209 11.641 -0.119 1.00 0.00 O ATOM 0 H TYR A 107 -9.990 10.743 -3.270 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.478 12.911 -4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.176 9.902 -4.405 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.136 10.916 -5.385 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.680 12.628 -4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.726 9.600 -2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.151 12.957 -2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.192 9.916 -0.190 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.906 12.573 -0.106 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.129 10.944 -6.463 1.00 0.00 N ATOM 1690 CA LYS A 108 -10.614 10.895 -7.841 1.00 0.00 C ATOM 1691 C LYS A 108 -12.032 11.427 -7.916 1.00 0.00 C ATOM 1692 O LYS A 108 -12.436 12.261 -7.107 1.00 0.00 O ATOM 1693 CB LYS A 108 -10.516 9.478 -8.451 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.096 8.989 -8.743 1.00 0.00 C ATOM 1695 CD LYS A 108 -8.292 8.745 -7.484 1.00 0.00 C ATOM 1696 CE LYS A 108 -9.007 7.764 -6.587 1.00 0.00 C ATOM 1697 NZ LYS A 108 -9.207 6.435 -7.235 1.00 0.00 N ATOM 0 H LYS A 108 -10.455 10.184 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 108 -9.965 11.534 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -10.992 8.773 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.087 9.460 -9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.146 8.067 -9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.582 9.726 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.306 8.359 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.137 9.686 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.435 7.634 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.976 8.176 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.160 5.687 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.138 6.411 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.463 6.279 -7.945 1.00 0.00 H new ATOM 1711 N SER A 109 -12.801 10.874 -8.826 1.00 0.00 N ATOM 1712 CA SER A 109 -14.208 11.190 -8.947 1.00 0.00 C ATOM 1713 C SER A 109 -14.990 10.527 -7.817 1.00 0.00 C ATOM 1714 O SER A 109 -14.434 10.207 -6.768 1.00 0.00 O ATOM 1715 CB SER A 109 -14.704 10.724 -10.317 1.00 0.00 C ATOM 1716 OG SER A 109 -14.419 9.348 -10.520 1.00 0.00 O ATOM 0 H SER A 109 -12.468 10.190 -9.506 1.00 0.00 H new ATOM 0 HA SER A 109 -14.360 12.266 -8.867 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.778 10.892 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.231 11.317 -11.100 1.00 0.00 H new ATOM 0 HG SER A 109 -14.747 9.073 -11.402 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.264 10.296 -8.042 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.111 9.645 -7.053 1.00 0.00 C ATOM 1724 C GLU A 110 -16.844 8.141 -6.978 1.00 0.00 C ATOM 1725 O GLU A 110 -17.759 7.337 -7.171 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.582 9.917 -7.357 1.00 0.00 C ATOM 1727 CG GLU A 110 -18.928 11.396 -7.372 1.00 0.00 C ATOM 1728 CD GLU A 110 -18.641 12.091 -6.052 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -17.475 12.093 -5.604 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -19.577 12.658 -5.461 1.00 0.00 O ATOM 0 H GLU A 110 -16.744 10.549 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 110 -16.867 10.066 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.832 9.482 -8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.199 9.414 -6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.363 11.887 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.984 11.513 -7.615 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.589 7.774 -6.707 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.188 6.370 -6.606 1.00 0.00 C ATOM 1739 C GLU A 111 -16.056 5.647 -5.576 1.00 0.00 C ATOM 1740 O GLU A 111 -16.049 5.985 -4.389 1.00 0.00 O ATOM 1741 CB GLU A 111 -13.726 6.287 -6.168 1.00 0.00 C ATOM 1742 CG GLU A 111 -12.747 7.012 -7.075 1.00 0.00 C ATOM 1743 CD GLU A 111 -12.531 6.323 -8.402 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -13.493 6.167 -9.178 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -11.374 5.939 -8.678 1.00 0.00 O ATOM 0 H GLU A 111 -14.828 8.436 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.313 5.898 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.639 6.697 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.438 5.237 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.111 8.023 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.789 7.105 -6.563 1.00 0.00 H new ATOM 1752 N PRO A 112 -16.868 4.688 -6.022 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.787 3.978 -5.159 1.00 0.00 C ATOM 1754 C PRO A 112 -17.222 2.656 -4.649 1.00 0.00 C ATOM 1755 O PRO A 112 -17.806 1.597 -4.888 1.00 0.00 O ATOM 1756 CB PRO A 112 -18.954 3.705 -6.081 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.356 3.578 -7.448 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.014 4.270 -7.418 1.00 0.00 C ATOM 0 HA PRO A 112 -18.027 4.550 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.477 2.793 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.682 4.515 -6.044 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.241 2.529 -7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.006 4.033 -8.195 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -16.211 3.598 -7.721 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -16.989 5.123 -8.096 1.00 0.00 H new ATOM 1766 N ASP A 113 -15.998 2.710 -4.174 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.218 1.503 -3.886 1.00 0.00 C ATOM 1768 C ASP A 113 -15.976 0.529 -2.993 1.00 0.00 C ATOM 1769 O ASP A 113 -16.357 -0.557 -3.429 1.00 0.00 O ATOM 1770 CB ASP A 113 -13.895 1.868 -3.204 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.026 2.790 -4.035 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.513 3.333 -5.046 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -11.867 3.003 -3.649 1.00 0.00 O ATOM 0 H ASP A 113 -15.507 3.581 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.027 1.019 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.107 2.345 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.341 0.954 -2.989 1.00 0.00 H new ATOM 1778 N ALA A 114 -16.216 0.927 -1.754 1.00 0.00 N ATOM 1779 CA ALA A 114 -16.953 0.082 -0.824 1.00 0.00 C ATOM 1780 C ALA A 114 -18.445 0.144 -1.109 1.00 0.00 C ATOM 1781 O ALA A 114 -19.107 -0.880 -1.278 1.00 0.00 O ATOM 1782 CB ALA A 114 -16.669 0.492 0.616 1.00 0.00 C ATOM 0 H ALA A 114 -15.915 1.822 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.619 -0.946 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -17.229 -0.151 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.603 0.393 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -16.972 1.528 0.766 1.00 0.00 H new ATOM 1788 N GLU A 115 -18.957 1.362 -1.171 1.00 0.00 N ATOM 1789 CA GLU A 115 -20.363 1.607 -1.437 1.00 0.00 C ATOM 1790 C GLU A 115 -20.569 3.058 -1.850 1.00 0.00 C ATOM 1791 O GLU A 115 -20.478 3.946 -0.970 1.00 0.00 O ATOM 1792 CB GLU A 115 -21.192 1.278 -0.196 1.00 0.00 C ATOM 1793 CG GLU A 115 -22.662 1.622 -0.328 1.00 0.00 C ATOM 1794 CD GLU A 115 -23.454 1.214 0.890 1.00 0.00 C ATOM 1795 OE1 GLU A 115 -23.105 1.650 2.007 1.00 0.00 O ATOM 1796 OE2 GLU A 115 -24.432 0.457 0.736 1.00 0.00 O ATOM 1797 OXT GLU A 115 -20.789 3.307 -3.052 1.00 0.00 O ATOM 0 H GLU A 115 -18.407 2.211 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 115 -20.691 0.965 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -21.096 0.214 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.779 1.816 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -22.770 2.695 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -23.072 1.127 -1.208 1.00 0.00 H new TER 1804 GLU A 115