USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 921 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 59 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN :FLIP amide:sc= -0.0111 F(o=-4.8,f=-3.2) USER MOD Set 2.2: A 93 LYS NZ :NH3+ -126:sc= -3.21! (180deg=-8.41!) USER MOD Set 3.1: A 33 GLN : amide:sc= -0.0344 X(o=-0.066,f=0) USER MOD Set 3.2: A 37 LYS NZ :NH3+ -169:sc= -0.0319 (180deg=0) USER MOD Set 4.1: A 11 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.6!) USER MOD Set 4.2: A 79 GLN :FLIP amide:sc= -0.0522 F(o=-2.2,f=-1.7) USER MOD Set 5.1: A 5 SER OG : rot 48:sc= 0.953 USER MOD Set 5.2: A 41 SER OG : rot 132:sc= 1.15 USER MOD Single : A 1 MET CE :methyl -175:sc= -7.4! (180deg=-7.65!) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.841! (180deg=-0.198!) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.575! (180deg=-1.59!) USER MOD Single : A 6 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.063) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.16 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= -0.292 (180deg=-1.46!) USER MOD Single : A 22 LYS NZ :NH3+ -129:sc= -0.0879 (180deg=-0.424) USER MOD Single : A 24 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.9!) USER MOD Single : A 28 SER OG : rot -74:sc= 0.0559 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -80:sc= 0.807 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 150:sc= -4.37! USER MOD Single : A 52 SER OG : rot 163:sc= -2.18! USER MOD Single : A 55 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 130:sc= -1.84 USER MOD Single : A 73 MET CE :methyl -169:sc= -8.15! (180deg=-8.43!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 74:sc= 0.193 USER MOD Single : A 78 THR OG1 : rot 107:sc= -1.17 USER MOD Single : A 81 GLN : amide:sc= -0.93 K(o=-0.93,f=-2.2!) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= 0.429 (180deg=-0.339!) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.187) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.21 F(o=-1.2,f=-0.21) USER MOD Single : A 88 ASN : amide:sc= -3.47 K(o=-3.5,f=-5.3!) USER MOD Single : A 91 THR OG1 : rot -92:sc= 0.0942 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 70:sc= -2.36! USER MOD Single : A 101 LYS NZ :NH3+ -133:sc= -0.272 (180deg=-1.36!) USER MOD Single : A 104 MET CE :methyl 180:sc= -0.227 (180deg=-0.227) USER MOD Single : A 105 SER OG : rot -61:sc= 0.69 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.817 4.387 13.589 1.00 0.00 N ATOM 2 CA MET A 1 4.998 5.035 12.256 1.00 0.00 C ATOM 3 C MET A 1 4.808 6.538 12.334 1.00 0.00 C ATOM 4 O MET A 1 4.571 7.102 13.403 1.00 0.00 O ATOM 5 CB MET A 1 3.998 4.492 11.216 1.00 0.00 C ATOM 6 CG MET A 1 2.830 3.732 11.770 1.00 0.00 C ATOM 7 SD MET A 1 1.974 4.628 13.072 1.00 0.00 S ATOM 8 CE MET A 1 0.532 3.606 13.230 1.00 0.00 C ATOM 0 H1 MET A 1 5.314 3.473 13.601 1.00 0.00 H new ATOM 0 H2 MET A 1 5.207 5.003 14.330 1.00 0.00 H new ATOM 0 H3 MET A 1 3.804 4.232 13.765 1.00 0.00 H new ATOM 0 HA MET A 1 6.018 4.802 11.949 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.618 5.331 10.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.537 3.842 10.527 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.129 3.513 10.964 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.177 2.775 12.160 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.161 4.062 13.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.047 3.508 12.259 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.823 2.620 13.591 1.00 0.00 H new ATOM 20 N ASP A 2 4.861 7.168 11.169 1.00 0.00 N ATOM 21 CA ASP A 2 4.642 8.591 11.055 1.00 0.00 C ATOM 22 C ASP A 2 3.198 8.819 10.659 1.00 0.00 C ATOM 23 O ASP A 2 2.465 7.866 10.426 1.00 0.00 O ATOM 24 CB ASP A 2 5.585 9.202 10.025 1.00 0.00 C ATOM 25 CG ASP A 2 6.950 9.519 10.606 1.00 0.00 C ATOM 26 OD1 ASP A 2 7.013 10.289 11.587 1.00 0.00 O ATOM 27 OD2 ASP A 2 7.955 8.998 10.079 1.00 0.00 O ATOM 0 H ASP A 2 5.057 6.703 10.283 1.00 0.00 H new ATOM 0 HA ASP A 2 4.846 9.074 12.011 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.700 8.513 9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.142 10.115 9.627 1.00 0.00 H new ATOM 32 N ILE A 3 2.791 10.069 10.608 1.00 0.00 N ATOM 33 CA ILE A 3 1.419 10.419 10.267 1.00 0.00 C ATOM 34 C ILE A 3 0.973 9.827 8.942 1.00 0.00 C ATOM 35 O ILE A 3 0.046 9.017 8.893 1.00 0.00 O ATOM 36 CB ILE A 3 1.263 11.943 10.260 1.00 0.00 C ATOM 37 CG1 ILE A 3 1.069 12.443 11.696 1.00 0.00 C ATOM 38 CG2 ILE A 3 0.115 12.363 9.362 1.00 0.00 C ATOM 39 CD1 ILE A 3 1.633 11.502 12.748 1.00 0.00 C ATOM 0 H ILE A 3 3.393 10.870 10.799 1.00 0.00 H new ATOM 0 HA ILE A 3 0.771 9.987 11.030 1.00 0.00 H new ATOM 0 HB ILE A 3 2.168 12.397 9.856 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.545 13.418 11.800 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.005 12.586 11.882 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.023 13.449 9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.307 12.025 8.344 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.812 11.917 9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.460 11.920 13.740 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.140 10.533 12.671 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.704 11.378 12.588 1.00 0.00 H new ATOM 51 N LYS A 4 1.630 10.236 7.879 1.00 0.00 N ATOM 52 CA LYS A 4 1.304 9.746 6.536 1.00 0.00 C ATOM 53 C LYS A 4 1.120 8.235 6.567 1.00 0.00 C ATOM 54 O LYS A 4 0.071 7.714 6.187 1.00 0.00 O ATOM 55 CB LYS A 4 2.393 10.101 5.506 1.00 0.00 C ATOM 56 CG LYS A 4 3.565 10.908 6.048 1.00 0.00 C ATOM 57 CD LYS A 4 4.200 10.253 7.264 1.00 0.00 C ATOM 58 CE LYS A 4 5.645 9.877 7.040 1.00 0.00 C ATOM 59 NZ LYS A 4 6.331 10.759 6.053 1.00 0.00 N ATOM 0 H LYS A 4 2.397 10.908 7.907 1.00 0.00 H new ATOM 0 HA LYS A 4 0.379 10.235 6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.778 9.176 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.932 10.662 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.316 11.024 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.223 11.908 6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.134 10.933 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.634 9.360 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.178 9.921 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.696 8.845 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.356 10.589 6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.979 10.550 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.137 11.754 6.283 1.00 0.00 H new ATOM 73 N SER A 5 2.140 7.545 7.046 1.00 0.00 N ATOM 74 CA SER A 5 2.097 6.097 7.162 1.00 0.00 C ATOM 75 C SER A 5 1.101 5.675 8.236 1.00 0.00 C ATOM 76 O SER A 5 0.592 4.562 8.211 1.00 0.00 O ATOM 77 CB SER A 5 3.485 5.553 7.503 1.00 0.00 C ATOM 78 OG SER A 5 4.284 6.549 8.118 1.00 0.00 O ATOM 0 H SER A 5 3.013 7.967 7.363 1.00 0.00 H new ATOM 0 HA SER A 5 1.777 5.686 6.205 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.390 4.696 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.974 5.199 6.595 1.00 0.00 H new ATOM 0 HG SER A 5 3.773 6.984 8.832 1.00 0.00 H new ATOM 84 N GLN A 6 0.851 6.570 9.189 1.00 0.00 N ATOM 85 CA GLN A 6 -0.053 6.295 10.300 1.00 0.00 C ATOM 86 C GLN A 6 -1.465 5.962 9.873 1.00 0.00 C ATOM 87 O GLN A 6 -1.888 4.824 9.974 1.00 0.00 O ATOM 88 CB GLN A 6 -0.100 7.487 11.247 1.00 0.00 C ATOM 89 CG GLN A 6 0.167 7.110 12.682 1.00 0.00 C ATOM 90 CD GLN A 6 -0.475 8.069 13.661 1.00 0.00 C ATOM 91 OE1 GLN A 6 0.186 8.606 14.551 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.772 8.290 13.498 1.00 0.00 N ATOM 0 H GLN A 6 1.267 7.501 9.212 1.00 0.00 H new ATOM 0 HA GLN A 6 0.352 5.413 10.796 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.635 8.226 10.929 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.079 7.961 11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.208 6.103 12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.243 7.086 12.854 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.279 7.822 12.746 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.263 8.928 14.124 1.00 0.00 H new ATOM 101 N THR A 7 -2.204 6.963 9.439 1.00 0.00 N ATOM 102 CA THR A 7 -3.582 6.753 9.053 1.00 0.00 C ATOM 103 C THR A 7 -3.659 5.798 7.899 1.00 0.00 C ATOM 104 O THR A 7 -4.586 4.993 7.813 1.00 0.00 O ATOM 105 CB THR A 7 -4.284 8.063 8.725 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.409 9.166 8.882 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.487 8.290 9.609 1.00 0.00 C ATOM 0 H THR A 7 -1.875 7.924 9.346 1.00 0.00 H new ATOM 0 HA THR A 7 -4.104 6.315 9.904 1.00 0.00 H new ATOM 0 HB THR A 7 -4.605 7.985 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.885 9.995 8.663 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.960 9.235 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.199 7.476 9.471 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.171 8.323 10.652 1.00 0.00 H new ATOM 115 N LEU A 8 -2.669 5.851 7.026 1.00 0.00 N ATOM 116 CA LEU A 8 -2.656 4.938 5.919 1.00 0.00 C ATOM 117 C LEU A 8 -2.438 3.540 6.461 1.00 0.00 C ATOM 118 O LEU A 8 -3.029 2.574 5.977 1.00 0.00 O ATOM 119 CB LEU A 8 -1.612 5.330 4.860 1.00 0.00 C ATOM 120 CG LEU A 8 -0.241 4.653 4.969 1.00 0.00 C ATOM 121 CD1 LEU A 8 -0.323 3.194 4.542 1.00 0.00 C ATOM 122 CD2 LEU A 8 0.778 5.393 4.114 1.00 0.00 C ATOM 0 H LEU A 8 -1.886 6.503 7.066 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.614 4.975 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.025 5.109 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.465 6.409 4.909 1.00 0.00 H new ATOM 0 HG LEU A 8 0.077 4.688 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.661 2.734 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.027 2.666 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.662 3.136 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.748 4.904 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.456 5.382 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.861 6.424 4.457 1.00 0.00 H new ATOM 134 N TYR A 9 -1.627 3.444 7.512 1.00 0.00 N ATOM 135 CA TYR A 9 -1.400 2.169 8.149 1.00 0.00 C ATOM 136 C TYR A 9 -2.655 1.767 8.908 1.00 0.00 C ATOM 137 O TYR A 9 -3.266 0.748 8.612 1.00 0.00 O ATOM 138 CB TYR A 9 -0.198 2.234 9.069 1.00 0.00 C ATOM 139 CG TYR A 9 -0.183 1.198 10.157 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.921 0.015 10.089 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.570 1.434 11.274 1.00 0.00 C ATOM 142 CE1 TYR A 9 -0.884 -0.889 11.135 1.00 0.00 C ATOM 143 CE2 TYR A 9 0.620 0.552 12.310 1.00 0.00 C ATOM 144 CZ TYR A 9 -0.110 -0.616 12.247 1.00 0.00 C ATOM 145 OH TYR A 9 -0.067 -1.510 13.292 1.00 0.00 O ATOM 0 H TYR A 9 -1.126 4.229 7.929 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.185 1.415 7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.707 2.126 8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.161 3.223 9.527 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.523 -0.195 9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.142 2.348 11.336 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.457 -1.803 11.083 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.228 0.766 13.176 1.00 0.00 H new ATOM 0 HH TYR A 9 0.525 -1.166 13.993 1.00 0.00 H new ATOM 155 N LEU A 10 -3.041 2.584 9.884 1.00 0.00 N ATOM 156 CA LEU A 10 -4.231 2.310 10.674 1.00 0.00 C ATOM 157 C LEU A 10 -5.387 1.994 9.745 1.00 0.00 C ATOM 158 O LEU A 10 -6.250 1.180 10.064 1.00 0.00 O ATOM 159 CB LEU A 10 -4.577 3.509 11.561 1.00 0.00 C ATOM 160 CG LEU A 10 -3.807 3.585 12.881 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.319 4.739 13.729 1.00 0.00 C ATOM 162 CD2 LEU A 10 -3.923 2.271 13.640 1.00 0.00 C ATOM 0 H LEU A 10 -2.547 3.438 10.144 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.040 1.454 11.321 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.392 4.423 10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.644 3.481 11.782 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.755 3.762 12.659 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.761 4.779 14.664 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.187 5.675 13.187 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.377 4.591 13.944 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.370 2.342 14.577 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.972 2.065 13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.510 1.464 13.035 1.00 0.00 H new ATOM 174 N ASN A 11 -5.361 2.601 8.566 1.00 0.00 N ATOM 175 CA ASN A 11 -6.370 2.340 7.566 1.00 0.00 C ATOM 176 C ASN A 11 -6.171 0.929 7.049 1.00 0.00 C ATOM 177 O ASN A 11 -7.107 0.135 6.962 1.00 0.00 O ATOM 178 CB ASN A 11 -6.234 3.318 6.407 1.00 0.00 C ATOM 179 CG ASN A 11 -6.986 4.613 6.642 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.880 4.682 7.486 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.628 5.650 5.893 1.00 0.00 N ATOM 0 H ASN A 11 -4.650 3.276 8.285 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.360 2.456 8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.179 3.540 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.604 2.848 5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.099 6.547 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.882 5.549 5.205 1.00 0.00 H new ATOM 188 N LEU A 12 -4.917 0.634 6.726 1.00 0.00 N ATOM 189 CA LEU A 12 -4.535 -0.671 6.233 1.00 0.00 C ATOM 190 C LEU A 12 -4.790 -1.733 7.300 1.00 0.00 C ATOM 191 O LEU A 12 -5.116 -2.878 6.986 1.00 0.00 O ATOM 192 CB LEU A 12 -3.080 -0.648 5.765 1.00 0.00 C ATOM 193 CG LEU A 12 -2.088 -1.254 6.732 1.00 0.00 C ATOM 194 CD1 LEU A 12 -2.060 -2.758 6.567 1.00 0.00 C ATOM 195 CD2 LEU A 12 -0.701 -0.656 6.538 1.00 0.00 C ATOM 0 H LEU A 12 -4.144 1.295 6.800 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.148 -0.932 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.011 -1.180 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.792 0.386 5.573 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.405 -1.021 7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.343 -3.188 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.051 -3.165 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.765 -3.007 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.007 -1.109 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.360 -0.850 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.742 0.420 6.708 1.00 0.00 H new ATOM 207 N SER A 13 -4.686 -1.330 8.561 1.00 0.00 N ATOM 208 CA SER A 13 -4.952 -2.222 9.672 1.00 0.00 C ATOM 209 C SER A 13 -6.455 -2.367 9.829 1.00 0.00 C ATOM 210 O SER A 13 -6.987 -3.470 9.979 1.00 0.00 O ATOM 211 CB SER A 13 -4.331 -1.680 10.962 1.00 0.00 C ATOM 212 OG SER A 13 -3.498 -2.649 11.575 1.00 0.00 O ATOM 0 H SER A 13 -4.418 -0.385 8.836 1.00 0.00 H new ATOM 0 HA SER A 13 -4.505 -3.196 9.472 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.750 -0.784 10.741 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.121 -1.385 11.653 1.00 0.00 H new ATOM 0 HG SER A 13 -3.113 -2.277 12.396 1.00 0.00 H new ATOM 218 N GLU A 14 -7.129 -1.228 9.756 1.00 0.00 N ATOM 219 CA GLU A 14 -8.579 -1.181 9.852 1.00 0.00 C ATOM 220 C GLU A 14 -9.197 -2.005 8.738 1.00 0.00 C ATOM 221 O GLU A 14 -10.275 -2.580 8.878 1.00 0.00 O ATOM 222 CB GLU A 14 -9.079 0.258 9.740 1.00 0.00 C ATOM 223 CG GLU A 14 -8.808 1.086 10.977 1.00 0.00 C ATOM 224 CD GLU A 14 -10.072 1.661 11.586 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.538 2.715 11.103 1.00 0.00 O ATOM 226 OE2 GLU A 14 -10.594 1.059 12.547 1.00 0.00 O ATOM 0 H GLU A 14 -6.689 -0.317 9.629 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.870 -1.587 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.604 0.734 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.152 0.248 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.301 0.468 11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.129 1.900 10.723 1.00 0.00 H new ATOM 233 N ALA A 15 -8.483 -2.038 7.628 1.00 0.00 N ATOM 234 CA ALA A 15 -8.900 -2.765 6.448 1.00 0.00 C ATOM 235 C ALA A 15 -8.658 -4.239 6.602 1.00 0.00 C ATOM 236 O ALA A 15 -9.517 -5.059 6.319 1.00 0.00 O ATOM 237 CB ALA A 15 -8.149 -2.262 5.261 1.00 0.00 C ATOM 0 H ALA A 15 -7.590 -1.556 7.521 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.969 -2.605 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.463 -2.810 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.354 -1.200 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.080 -2.408 5.418 1.00 0.00 H new ATOM 243 N TYR A 16 -7.470 -4.572 7.055 1.00 0.00 N ATOM 244 CA TYR A 16 -7.110 -5.953 7.267 1.00 0.00 C ATOM 245 C TYR A 16 -8.209 -6.645 8.064 1.00 0.00 C ATOM 246 O TYR A 16 -8.457 -7.840 7.902 1.00 0.00 O ATOM 247 CB TYR A 16 -5.774 -6.009 7.987 1.00 0.00 C ATOM 248 CG TYR A 16 -5.757 -7.025 9.070 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.674 -8.356 8.751 1.00 0.00 C ATOM 250 CD2 TYR A 16 -5.844 -6.652 10.390 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.670 -9.327 9.717 1.00 0.00 C ATOM 252 CE2 TYR A 16 -5.843 -7.610 11.391 1.00 0.00 C ATOM 253 CZ TYR A 16 -5.755 -8.952 11.048 1.00 0.00 C ATOM 254 OH TYR A 16 -5.752 -9.914 12.032 1.00 0.00 O ATOM 0 H TYR A 16 -6.736 -3.902 7.284 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.008 -6.475 6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.986 -6.235 7.268 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.550 -5.029 8.408 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.610 -8.646 7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.914 -5.606 10.649 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.602 -10.370 9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.910 -7.315 12.428 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.817 -9.484 12.910 1.00 0.00 H new ATOM 264 N LYS A 17 -8.891 -5.866 8.895 1.00 0.00 N ATOM 265 CA LYS A 17 -9.990 -6.381 9.679 1.00 0.00 C ATOM 266 C LYS A 17 -11.297 -6.263 8.888 1.00 0.00 C ATOM 267 O LYS A 17 -12.382 -6.471 9.432 1.00 0.00 O ATOM 268 CB LYS A 17 -10.092 -5.649 11.027 1.00 0.00 C ATOM 269 CG LYS A 17 -10.984 -4.413 11.008 1.00 0.00 C ATOM 270 CD LYS A 17 -10.279 -3.207 11.600 1.00 0.00 C ATOM 271 CE LYS A 17 -10.579 -3.041 13.079 1.00 0.00 C ATOM 272 NZ LYS A 17 -12.039 -3.125 13.367 1.00 0.00 N ATOM 0 H LYS A 17 -8.697 -4.875 9.038 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.806 -7.435 9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.471 -6.344 11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.091 -5.355 11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.282 -4.194 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.897 -4.613 11.569 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.203 -3.310 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.587 -2.309 11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.053 -3.811 13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.197 -2.079 13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.284 -2.451 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.576 -2.893 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.277 -4.089 13.675 1.00 0.00 H new ATOM 286 N ASP A 18 -11.183 -5.943 7.594 1.00 0.00 N ATOM 287 CA ASP A 18 -12.353 -5.822 6.740 1.00 0.00 C ATOM 288 C ASP A 18 -12.905 -7.214 6.464 1.00 0.00 C ATOM 289 O ASP A 18 -12.181 -8.082 5.985 1.00 0.00 O ATOM 290 CB ASP A 18 -12.036 -5.124 5.417 1.00 0.00 C ATOM 291 CG ASP A 18 -13.140 -4.175 4.993 1.00 0.00 C ATOM 292 OD1 ASP A 18 -14.164 -4.655 4.462 1.00 0.00 O ATOM 293 OD2 ASP A 18 -12.982 -2.952 5.193 1.00 0.00 O ATOM 0 H ASP A 18 -10.295 -5.766 7.125 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.089 -5.209 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.101 -4.572 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.884 -5.873 4.640 1.00 0.00 H new ATOM 298 N PRO A 19 -14.180 -7.461 6.779 1.00 0.00 N ATOM 299 CA PRO A 19 -14.805 -8.771 6.581 1.00 0.00 C ATOM 300 C PRO A 19 -14.452 -9.439 5.249 1.00 0.00 C ATOM 301 O PRO A 19 -14.483 -10.666 5.145 1.00 0.00 O ATOM 302 CB PRO A 19 -16.288 -8.443 6.646 1.00 0.00 C ATOM 303 CG PRO A 19 -16.366 -7.297 7.593 1.00 0.00 C ATOM 304 CD PRO A 19 -15.116 -6.490 7.378 1.00 0.00 C ATOM 0 HA PRO A 19 -14.464 -9.493 7.323 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.681 -8.176 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.869 -9.294 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.255 -6.695 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.431 -7.647 8.623 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.294 -5.643 6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.732 -6.087 8.315 1.00 0.00 H new ATOM 312 N GLU A 20 -14.115 -8.647 4.233 1.00 0.00 N ATOM 313 CA GLU A 20 -13.762 -9.212 2.934 1.00 0.00 C ATOM 314 C GLU A 20 -12.259 -9.323 2.760 1.00 0.00 C ATOM 315 O GLU A 20 -11.748 -9.586 1.671 1.00 0.00 O ATOM 316 CB GLU A 20 -14.345 -8.363 1.833 1.00 0.00 C ATOM 317 CG GLU A 20 -15.849 -8.455 1.789 1.00 0.00 C ATOM 318 CD GLU A 20 -16.520 -7.109 1.595 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.503 -6.596 0.456 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.062 -6.568 2.582 1.00 0.00 O ATOM 0 H GLU A 20 -14.079 -7.629 4.282 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.178 -10.218 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.049 -7.324 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.934 -8.679 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.143 -9.121 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.207 -8.903 2.716 1.00 0.00 H new ATOM 327 N VAL A 21 -11.587 -9.209 3.875 1.00 0.00 N ATOM 328 CA VAL A 21 -10.154 -9.379 3.965 1.00 0.00 C ATOM 329 C VAL A 21 -9.927 -10.530 4.927 1.00 0.00 C ATOM 330 O VAL A 21 -9.058 -11.378 4.725 1.00 0.00 O ATOM 331 CB VAL A 21 -9.426 -8.117 4.460 1.00 0.00 C ATOM 332 CG1 VAL A 21 -7.921 -8.302 4.341 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.877 -6.896 3.673 1.00 0.00 C ATOM 0 H VAL A 21 -12.028 -8.990 4.769 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.746 -9.578 2.974 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.677 -7.958 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.415 -7.403 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.610 -9.154 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.658 -8.481 3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.351 -6.014 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.653 -7.041 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.951 -6.757 3.801 1.00 0.00 H new ATOM 343 N LYS A 22 -10.788 -10.573 5.951 1.00 0.00 N ATOM 344 CA LYS A 22 -10.780 -11.634 6.932 1.00 0.00 C ATOM 345 C LYS A 22 -10.973 -12.953 6.212 1.00 0.00 C ATOM 346 O LYS A 22 -10.368 -13.970 6.555 1.00 0.00 O ATOM 347 CB LYS A 22 -11.941 -11.464 7.923 1.00 0.00 C ATOM 348 CG LYS A 22 -12.244 -10.034 8.325 1.00 0.00 C ATOM 349 CD LYS A 22 -11.044 -9.334 8.934 1.00 0.00 C ATOM 350 CE LYS A 22 -10.267 -10.239 9.881 1.00 0.00 C ATOM 351 NZ LYS A 22 -11.120 -10.741 10.994 1.00 0.00 N ATOM 0 H LYS A 22 -11.506 -9.866 6.112 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.834 -11.607 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.839 -11.899 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.716 -12.037 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.579 -9.477 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.066 -10.028 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.383 -8.992 8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.378 -8.448 9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.862 -11.084 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.419 -9.692 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.645 -10.564 11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.035 -10.247 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.276 -11.763 10.878 1.00 0.00 H new ATOM 365 N ALA A 23 -11.832 -12.912 5.195 1.00 0.00 N ATOM 366 CA ALA A 23 -12.125 -14.087 4.398 1.00 0.00 C ATOM 367 C ALA A 23 -10.880 -14.531 3.655 1.00 0.00 C ATOM 368 O ALA A 23 -10.772 -15.679 3.226 1.00 0.00 O ATOM 369 CB ALA A 23 -13.257 -13.800 3.423 1.00 0.00 C ATOM 0 H ALA A 23 -12.335 -12.072 4.908 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.443 -14.892 5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.464 -14.693 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.152 -13.516 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.968 -12.985 2.759 1.00 0.00 H new ATOM 375 N ASN A 24 -9.937 -13.607 3.515 1.00 0.00 N ATOM 376 CA ASN A 24 -8.699 -13.892 2.836 1.00 0.00 C ATOM 377 C ASN A 24 -7.515 -13.763 3.785 1.00 0.00 C ATOM 378 O ASN A 24 -6.949 -12.681 3.943 1.00 0.00 O ATOM 379 CB ASN A 24 -8.519 -12.966 1.636 1.00 0.00 C ATOM 380 CG ASN A 24 -9.421 -13.342 0.477 1.00 0.00 C ATOM 381 OD1 ASN A 24 -9.079 -14.199 -0.338 1.00 0.00 O ATOM 382 ND2 ASN A 24 -10.582 -12.702 0.397 1.00 0.00 N ATOM 0 H ASN A 24 -10.016 -12.653 3.868 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.741 -14.921 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.728 -11.940 1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.480 -12.997 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.230 -12.914 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.826 -11.999 1.094 1.00 0.00 H new ATOM 389 N GLU A 25 -7.145 -14.873 4.419 1.00 0.00 N ATOM 390 CA GLU A 25 -6.027 -14.880 5.356 1.00 0.00 C ATOM 391 C GLU A 25 -4.808 -14.202 4.747 1.00 0.00 C ATOM 392 O GLU A 25 -4.166 -13.367 5.378 1.00 0.00 O ATOM 393 CB GLU A 25 -5.699 -16.318 5.791 1.00 0.00 C ATOM 394 CG GLU A 25 -4.437 -16.899 5.162 1.00 0.00 C ATOM 395 CD GLU A 25 -4.214 -18.351 5.540 1.00 0.00 C ATOM 396 OE1 GLU A 25 -4.771 -19.235 4.857 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.481 -18.602 6.520 1.00 0.00 O ATOM 0 H GLU A 25 -7.603 -15.777 4.301 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.316 -14.314 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.592 -16.340 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.543 -16.961 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.504 -16.816 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.575 -16.309 5.474 1.00 0.00 H new ATOM 404 N PHE A 26 -4.511 -14.564 3.512 1.00 0.00 N ATOM 405 CA PHE A 26 -3.377 -13.992 2.796 1.00 0.00 C ATOM 406 C PHE A 26 -3.506 -12.476 2.707 1.00 0.00 C ATOM 407 O PHE A 26 -2.632 -11.740 3.164 1.00 0.00 O ATOM 408 CB PHE A 26 -3.274 -14.589 1.391 1.00 0.00 C ATOM 409 CG PHE A 26 -2.020 -14.194 0.665 1.00 0.00 C ATOM 410 CD1 PHE A 26 -0.775 -14.433 1.225 1.00 0.00 C ATOM 411 CD2 PHE A 26 -2.087 -13.585 -0.578 1.00 0.00 C ATOM 412 CE1 PHE A 26 0.380 -14.070 0.560 1.00 0.00 C ATOM 413 CE2 PHE A 26 -0.934 -13.220 -1.249 1.00 0.00 C ATOM 414 CZ PHE A 26 0.301 -13.463 -0.679 1.00 0.00 C ATOM 0 H PHE A 26 -5.040 -15.254 2.979 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.470 -14.234 3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.317 -15.676 1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.138 -14.274 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.707 -14.908 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.050 -13.393 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.344 -14.260 1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.999 -12.746 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.203 -13.179 -1.201 1.00 0.00 H new ATOM 424 N LEU A 27 -4.604 -12.017 2.113 1.00 0.00 N ATOM 425 CA LEU A 27 -4.852 -10.592 1.961 1.00 0.00 C ATOM 426 C LEU A 27 -4.685 -9.856 3.280 1.00 0.00 C ATOM 427 O LEU A 27 -3.923 -8.891 3.358 1.00 0.00 O ATOM 428 CB LEU A 27 -6.245 -10.362 1.391 1.00 0.00 C ATOM 429 CG LEU A 27 -6.308 -10.427 -0.130 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.417 -11.866 -0.601 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.465 -9.591 -0.652 1.00 0.00 C ATOM 0 H LEU A 27 -5.336 -12.615 1.729 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.114 -10.192 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.924 -11.107 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.604 -9.386 1.718 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.384 -10.012 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.461 -11.890 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.547 -12.427 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.322 -12.315 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.494 -9.649 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.401 -9.970 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.330 -8.553 -0.348 1.00 0.00 H new ATOM 443 N SER A 28 -5.369 -10.311 4.330 1.00 0.00 N ATOM 444 CA SER A 28 -5.240 -9.680 5.612 1.00 0.00 C ATOM 445 C SER A 28 -3.821 -9.867 6.115 1.00 0.00 C ATOM 446 O SER A 28 -3.207 -8.941 6.629 1.00 0.00 O ATOM 447 CB SER A 28 -6.274 -10.238 6.583 1.00 0.00 C ATOM 448 OG SER A 28 -6.943 -11.363 6.039 1.00 0.00 O ATOM 0 H SER A 28 -6.007 -11.106 4.304 1.00 0.00 H new ATOM 0 HA SER A 28 -5.432 -8.611 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.784 -10.520 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.001 -9.463 6.827 1.00 0.00 H new ATOM 0 HG SER A 28 -7.570 -11.067 5.347 1.00 0.00 H new ATOM 454 N LYS A 29 -3.291 -11.063 5.906 1.00 0.00 N ATOM 455 CA LYS A 29 -1.920 -11.372 6.293 1.00 0.00 C ATOM 456 C LYS A 29 -0.966 -10.352 5.699 1.00 0.00 C ATOM 457 O LYS A 29 -0.009 -9.933 6.350 1.00 0.00 O ATOM 458 CB LYS A 29 -1.534 -12.781 5.839 1.00 0.00 C ATOM 459 CG LYS A 29 -1.909 -13.866 6.838 1.00 0.00 C ATOM 460 CD LYS A 29 -0.714 -14.733 7.203 1.00 0.00 C ATOM 461 CE LYS A 29 -0.075 -15.349 5.969 1.00 0.00 C ATOM 462 NZ LYS A 29 0.523 -16.683 6.258 1.00 0.00 N ATOM 0 H LYS A 29 -3.790 -11.838 5.469 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.852 -11.330 7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.019 -12.993 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.459 -12.816 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.314 -13.406 7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.697 -14.491 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.024 -14.132 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.031 -15.524 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.825 -15.450 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.697 -14.680 5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.948 -17.068 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.257 -16.584 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.218 -17.329 6.597 1.00 0.00 H new ATOM 476 N LEU A 30 -1.236 -9.931 4.467 1.00 0.00 N ATOM 477 CA LEU A 30 -0.394 -8.937 3.830 1.00 0.00 C ATOM 478 C LEU A 30 -0.535 -7.617 4.559 1.00 0.00 C ATOM 479 O LEU A 30 0.411 -7.137 5.183 1.00 0.00 O ATOM 480 CB LEU A 30 -0.764 -8.774 2.354 1.00 0.00 C ATOM 481 CG LEU A 30 0.152 -9.484 1.348 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.385 -8.594 0.140 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.482 -9.877 1.981 1.00 0.00 C ATOM 0 H LEU A 30 -2.019 -10.259 3.902 1.00 0.00 H new ATOM 0 HA LEU A 30 0.643 -9.268 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.780 -9.142 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.774 -7.710 2.118 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.345 -10.400 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.036 -9.106 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.569 -8.373 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.856 -7.664 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.104 -10.377 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.992 -8.983 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.301 -10.552 2.818 1.00 0.00 H new ATOM 495 N VAL A 31 -1.734 -7.049 4.505 1.00 0.00 N ATOM 496 CA VAL A 31 -2.010 -5.800 5.197 1.00 0.00 C ATOM 497 C VAL A 31 -1.485 -5.894 6.627 1.00 0.00 C ATOM 498 O VAL A 31 -0.994 -4.924 7.177 1.00 0.00 O ATOM 499 CB VAL A 31 -3.520 -5.451 5.205 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.818 -4.328 4.223 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.380 -6.662 4.884 1.00 0.00 C ATOM 0 H VAL A 31 -2.527 -7.433 3.991 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.502 -4.999 4.660 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.768 -5.119 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.883 -4.099 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.250 -3.440 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.534 -4.639 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.432 -6.376 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.121 -7.040 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.205 -7.440 5.627 1.00 0.00 H new ATOM 511 N VAL A 32 -1.545 -7.089 7.208 1.00 0.00 N ATOM 512 CA VAL A 32 -1.027 -7.293 8.557 1.00 0.00 C ATOM 513 C VAL A 32 0.446 -6.927 8.600 1.00 0.00 C ATOM 514 O VAL A 32 0.824 -5.882 9.129 1.00 0.00 O ATOM 515 CB VAL A 32 -1.208 -8.748 9.031 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.567 -8.961 10.396 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.684 -9.122 9.068 1.00 0.00 C ATOM 0 H VAL A 32 -1.942 -7.921 6.772 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.595 -6.650 9.229 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.706 -9.400 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.709 -9.996 10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.499 -8.744 10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.032 -8.296 11.124 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.790 -10.153 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.210 -8.460 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.110 -9.021 8.070 1.00 0.00 H new ATOM 527 N GLN A 33 1.270 -7.784 8.014 1.00 0.00 N ATOM 528 CA GLN A 33 2.702 -7.546 7.953 1.00 0.00 C ATOM 529 C GLN A 33 2.964 -6.131 7.481 1.00 0.00 C ATOM 530 O GLN A 33 3.688 -5.367 8.118 1.00 0.00 O ATOM 531 CB GLN A 33 3.368 -8.545 7.009 1.00 0.00 C ATOM 532 CG GLN A 33 4.581 -9.211 7.615 1.00 0.00 C ATOM 533 CD GLN A 33 5.190 -10.260 6.705 1.00 0.00 C ATOM 534 OE1 GLN A 33 4.695 -11.383 6.614 1.00 0.00 O ATOM 535 NE2 GLN A 33 6.272 -9.898 6.026 1.00 0.00 N ATOM 0 H GLN A 33 0.968 -8.653 7.573 1.00 0.00 H new ATOM 0 HA GLN A 33 3.125 -7.677 8.949 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.643 -9.309 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.662 -8.031 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.331 -8.453 7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.301 -9.675 8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.649 -8.956 6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.726 -10.562 5.399 1.00 0.00 H new ATOM 544 N CYS A 34 2.333 -5.786 6.373 1.00 0.00 N ATOM 545 CA CYS A 34 2.452 -4.455 5.808 1.00 0.00 C ATOM 546 C CYS A 34 2.135 -3.421 6.882 1.00 0.00 C ATOM 547 O CYS A 34 2.808 -2.396 7.001 1.00 0.00 O ATOM 548 CB CYS A 34 1.496 -4.288 4.625 1.00 0.00 C ATOM 549 SG CYS A 34 2.080 -5.049 3.091 1.00 0.00 S ATOM 0 H CYS A 34 1.729 -6.415 5.844 1.00 0.00 H new ATOM 0 HA CYS A 34 3.471 -4.310 5.450 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.531 -4.720 4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.332 -3.224 4.451 1.00 0.00 H new ATOM 0 HG CYS A 34 1.204 -4.857 2.150 1.00 0.00 H new ATOM 555 N ALA A 35 1.112 -3.715 7.685 1.00 0.00 N ATOM 556 CA ALA A 35 0.714 -2.825 8.762 1.00 0.00 C ATOM 557 C ALA A 35 1.802 -2.760 9.822 1.00 0.00 C ATOM 558 O ALA A 35 1.979 -1.743 10.491 1.00 0.00 O ATOM 559 CB ALA A 35 -0.609 -3.275 9.365 1.00 0.00 C ATOM 0 H ALA A 35 0.549 -4.562 7.606 1.00 0.00 H new ATOM 0 HA ALA A 35 0.575 -1.824 8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.891 -2.597 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.381 -3.266 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.503 -4.285 9.762 1.00 0.00 H new ATOM 565 N GLY A 36 2.542 -3.852 9.951 1.00 0.00 N ATOM 566 CA GLY A 36 3.625 -3.908 10.909 1.00 0.00 C ATOM 567 C GLY A 36 4.877 -3.252 10.372 1.00 0.00 C ATOM 568 O GLY A 36 5.697 -2.740 11.133 1.00 0.00 O ATOM 0 H GLY A 36 2.410 -4.704 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.321 -3.413 11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.837 -4.947 11.159 1.00 0.00 H new ATOM 572 N LYS A 37 5.016 -3.256 9.049 1.00 0.00 N ATOM 573 CA LYS A 37 6.162 -2.646 8.408 1.00 0.00 C ATOM 574 C LYS A 37 6.010 -1.128 8.385 1.00 0.00 C ATOM 575 O LYS A 37 6.978 -0.402 8.162 1.00 0.00 O ATOM 576 CB LYS A 37 6.333 -3.191 6.985 1.00 0.00 C ATOM 577 CG LYS A 37 6.515 -4.701 6.917 1.00 0.00 C ATOM 578 CD LYS A 37 7.648 -5.179 7.811 1.00 0.00 C ATOM 579 CE LYS A 37 7.358 -6.554 8.389 1.00 0.00 C ATOM 580 NZ LYS A 37 8.094 -7.630 7.668 1.00 0.00 N ATOM 0 H LYS A 37 4.346 -3.677 8.406 1.00 0.00 H new ATOM 0 HA LYS A 37 7.055 -2.896 8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.460 -2.914 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.196 -2.710 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.588 -5.192 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.717 -4.996 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.575 -5.212 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.799 -4.466 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.635 -6.570 9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.287 -6.750 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.731 -8.558 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.958 -7.517 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.108 -7.567 7.892 1.00 0.00 H new ATOM 594 N LEU A 38 4.789 -0.650 8.631 1.00 0.00 N ATOM 595 CA LEU A 38 4.523 0.781 8.650 1.00 0.00 C ATOM 596 C LEU A 38 5.029 1.388 9.947 1.00 0.00 C ATOM 597 O LEU A 38 5.544 2.501 9.954 1.00 0.00 O ATOM 598 CB LEU A 38 3.024 1.041 8.488 1.00 0.00 C ATOM 599 CG LEU A 38 2.542 1.222 7.044 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.852 2.627 6.551 1.00 0.00 C ATOM 601 CD2 LEU A 38 3.170 0.177 6.125 1.00 0.00 C ATOM 0 H LEU A 38 3.974 -1.234 8.819 1.00 0.00 H new ATOM 0 HA LEU A 38 5.048 1.249 7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.478 0.210 8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.764 1.935 9.055 1.00 0.00 H new ATOM 0 HG LEU A 38 1.461 1.081 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.503 2.738 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.348 3.355 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.928 2.797 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.812 0.326 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.255 0.278 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.891 -0.821 6.465 1.00 0.00 H new ATOM 613 N THR A 39 4.903 0.635 11.039 1.00 0.00 N ATOM 614 CA THR A 39 5.366 1.084 12.338 1.00 0.00 C ATOM 615 C THR A 39 6.730 1.698 12.226 1.00 0.00 C ATOM 616 O THR A 39 6.981 2.807 12.699 1.00 0.00 O ATOM 617 CB THR A 39 5.431 -0.088 13.290 1.00 0.00 C ATOM 618 OG1 THR A 39 6.471 -0.977 12.925 1.00 0.00 O ATOM 619 CG2 THR A 39 4.153 -0.870 13.341 1.00 0.00 C ATOM 0 H THR A 39 4.481 -0.293 11.042 1.00 0.00 H new ATOM 0 HA THR A 39 4.667 1.831 12.714 1.00 0.00 H new ATOM 0 HB THR A 39 5.617 0.343 14.274 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.168 -1.552 12.191 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.261 -1.698 14.041 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.342 -0.220 13.670 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.926 -1.261 12.349 1.00 0.00 H new ATOM 627 N ALA A 40 7.606 0.964 11.581 1.00 0.00 N ATOM 628 CA ALA A 40 8.960 1.425 11.382 1.00 0.00 C ATOM 629 C ALA A 40 9.022 2.468 10.273 1.00 0.00 C ATOM 630 O ALA A 40 10.014 2.553 9.547 1.00 0.00 O ATOM 631 CB ALA A 40 9.904 0.278 11.054 1.00 0.00 C ATOM 0 H ALA A 40 7.406 0.046 11.185 1.00 0.00 H new ATOM 0 HA ALA A 40 9.282 1.877 12.320 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.913 0.666 10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.904 -0.439 11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.573 -0.216 10.140 1.00 0.00 H new ATOM 637 N SER A 41 7.962 3.265 10.134 1.00 0.00 N ATOM 638 CA SER A 41 7.920 4.289 9.103 1.00 0.00 C ATOM 639 C SER A 41 9.169 5.155 9.161 1.00 0.00 C ATOM 640 O SER A 41 9.572 5.743 8.157 1.00 0.00 O ATOM 641 CB SER A 41 6.656 5.134 9.234 1.00 0.00 C ATOM 642 OG SER A 41 6.716 6.273 8.393 1.00 0.00 O ATOM 0 H SER A 41 7.129 3.218 10.721 1.00 0.00 H new ATOM 0 HA SER A 41 7.895 3.800 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.784 4.533 8.976 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.531 5.449 10.270 1.00 0.00 H new ATOM 0 HG SER A 41 5.877 6.356 7.894 1.00 0.00 H new ATOM 648 N ASN A 42 9.814 5.191 10.330 1.00 0.00 N ATOM 649 CA ASN A 42 11.053 5.940 10.486 1.00 0.00 C ATOM 650 C ASN A 42 11.999 5.562 9.351 1.00 0.00 C ATOM 651 O ASN A 42 12.806 6.368 8.890 1.00 0.00 O ATOM 652 CB ASN A 42 11.695 5.627 11.837 1.00 0.00 C ATOM 653 CG ASN A 42 12.288 6.857 12.499 1.00 0.00 C ATOM 654 OD1 ASN A 42 11.665 7.472 13.363 1.00 0.00 O ATOM 655 ND2 ASN A 42 13.501 7.220 12.095 1.00 0.00 N ATOM 0 H ASN A 42 9.498 4.713 11.174 1.00 0.00 H new ATOM 0 HA ASN A 42 10.843 7.009 10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.947 5.188 12.498 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.477 4.880 11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.951 8.038 12.505 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.982 6.680 11.375 1.00 0.00 H new ATOM 662 N SER A 43 11.838 4.327 8.877 1.00 0.00 N ATOM 663 CA SER A 43 12.597 3.813 7.774 1.00 0.00 C ATOM 664 C SER A 43 11.777 4.032 6.516 1.00 0.00 C ATOM 665 O SER A 43 11.312 3.082 5.885 1.00 0.00 O ATOM 666 CB SER A 43 12.897 2.326 7.969 1.00 0.00 C ATOM 667 OG SER A 43 14.171 2.135 8.561 1.00 0.00 O ATOM 0 H SER A 43 11.167 3.662 9.262 1.00 0.00 H new ATOM 0 HA SER A 43 13.555 4.328 7.700 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.129 1.877 8.599 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.860 1.815 7.007 1.00 0.00 H new ATOM 0 HG SER A 43 14.338 1.176 8.676 1.00 0.00 H new ATOM 673 N GLU A 44 11.574 5.302 6.179 1.00 0.00 N ATOM 674 CA GLU A 44 10.773 5.661 5.019 1.00 0.00 C ATOM 675 C GLU A 44 11.331 5.007 3.775 1.00 0.00 C ATOM 676 O GLU A 44 10.612 4.751 2.818 1.00 0.00 O ATOM 677 CB GLU A 44 10.753 7.176 4.845 1.00 0.00 C ATOM 678 CG GLU A 44 12.072 7.759 4.366 1.00 0.00 C ATOM 679 CD GLU A 44 13.127 7.789 5.455 1.00 0.00 C ATOM 680 OE1 GLU A 44 13.050 8.675 6.333 1.00 0.00 O ATOM 681 OE2 GLU A 44 14.031 6.928 5.429 1.00 0.00 O ATOM 0 H GLU A 44 11.953 6.097 6.693 1.00 0.00 H new ATOM 0 HA GLU A 44 9.754 5.308 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.971 7.440 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.487 7.637 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.440 7.172 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.905 8.772 3.999 1.00 0.00 H new ATOM 688 N ASN A 45 12.611 4.710 3.818 1.00 0.00 N ATOM 689 CA ASN A 45 13.265 4.047 2.703 1.00 0.00 C ATOM 690 C ASN A 45 12.785 2.607 2.620 1.00 0.00 C ATOM 691 O ASN A 45 12.629 2.034 1.539 1.00 0.00 O ATOM 692 CB ASN A 45 14.787 4.096 2.860 1.00 0.00 C ATOM 693 CG ASN A 45 15.438 5.051 1.880 1.00 0.00 C ATOM 694 OD1 ASN A 45 16.054 6.106 2.402 1.00 0.00 O flip ATOM 695 ND2 ASN A 45 15.391 4.844 0.668 1.00 0.00 N flip ATOM 0 H ASN A 45 13.221 4.915 4.609 1.00 0.00 H new ATOM 0 HA ASN A 45 13.007 4.566 1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.035 4.399 3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.197 3.096 2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.907 4.021 0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.836 5.496 0.022 1.00 0.00 H new ATOM 702 N SER A 46 12.524 2.050 3.784 1.00 0.00 N ATOM 703 CA SER A 46 12.028 0.696 3.904 1.00 0.00 C ATOM 704 C SER A 46 10.532 0.676 3.663 1.00 0.00 C ATOM 705 O SER A 46 9.971 -0.303 3.173 1.00 0.00 O ATOM 706 CB SER A 46 12.355 0.147 5.286 1.00 0.00 C ATOM 707 OG SER A 46 12.373 -1.270 5.285 1.00 0.00 O ATOM 0 H SER A 46 12.651 2.526 4.677 1.00 0.00 H new ATOM 0 HA SER A 46 12.510 0.065 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.325 0.525 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.617 0.503 6.005 1.00 0.00 H new ATOM 0 HG SER A 46 12.587 -1.595 6.184 1.00 0.00 H new ATOM 713 N TYR A 47 9.907 1.799 3.984 1.00 0.00 N ATOM 714 CA TYR A 47 8.507 1.988 3.791 1.00 0.00 C ATOM 715 C TYR A 47 8.309 2.395 2.346 1.00 0.00 C ATOM 716 O TYR A 47 7.234 2.236 1.794 1.00 0.00 O ATOM 717 CB TYR A 47 7.983 3.025 4.800 1.00 0.00 C ATOM 718 CG TYR A 47 6.911 3.932 4.266 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.192 4.802 3.239 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.624 3.902 4.781 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.216 5.632 2.722 1.00 0.00 C ATOM 722 CE2 TYR A 47 4.640 4.729 4.280 1.00 0.00 C ATOM 723 CZ TYR A 47 4.940 5.590 3.248 1.00 0.00 C ATOM 724 OH TYR A 47 3.957 6.402 2.736 1.00 0.00 O ATOM 0 H TYR A 47 10.379 2.606 4.391 1.00 0.00 H new ATOM 0 HA TYR A 47 7.934 1.079 3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.594 2.499 5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.819 3.635 5.142 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.191 4.837 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.388 3.221 5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.449 6.308 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.643 4.701 4.694 1.00 0.00 H new ATOM 0 HH TYR A 47 3.086 5.964 2.835 1.00 0.00 H new ATOM 734 N ILE A 48 9.404 2.897 1.748 1.00 0.00 N ATOM 735 CA ILE A 48 9.442 3.312 0.354 1.00 0.00 C ATOM 736 C ILE A 48 9.344 2.070 -0.515 1.00 0.00 C ATOM 737 O ILE A 48 8.675 2.059 -1.545 1.00 0.00 O ATOM 738 CB ILE A 48 10.764 4.080 0.048 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.640 5.595 0.298 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.250 3.827 -1.375 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.283 6.050 0.792 1.00 0.00 C ATOM 0 H ILE A 48 10.292 3.023 2.234 1.00 0.00 H new ATOM 0 HA ILE A 48 8.609 3.983 0.145 1.00 0.00 H new ATOM 0 HB ILE A 48 11.503 3.686 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.394 5.891 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.869 6.121 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.173 4.380 -1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.434 2.761 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.491 4.158 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.293 7.130 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.522 5.791 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.056 5.557 1.737 1.00 0.00 H new ATOM 753 N GLU A 49 9.999 1.008 -0.064 1.00 0.00 N ATOM 754 CA GLU A 49 9.961 -0.252 -0.767 1.00 0.00 C ATOM 755 C GLU A 49 8.579 -0.830 -0.607 1.00 0.00 C ATOM 756 O GLU A 49 7.898 -1.113 -1.590 1.00 0.00 O ATOM 757 CB GLU A 49 11.030 -1.208 -0.234 1.00 0.00 C ATOM 758 CG GLU A 49 12.291 -0.498 0.239 1.00 0.00 C ATOM 759 CD GLU A 49 13.556 -1.112 -0.331 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.707 -2.349 -0.240 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.393 -0.357 -0.867 1.00 0.00 O ATOM 0 H GLU A 49 10.561 1.002 0.787 1.00 0.00 H new ATOM 0 HA GLU A 49 10.177 -0.100 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.613 -1.783 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.294 -1.920 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.241 0.553 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.335 -0.530 1.328 1.00 0.00 H new ATOM 768 N VAL A 50 8.141 -0.936 0.643 1.00 0.00 N ATOM 769 CA VAL A 50 6.802 -1.410 0.915 1.00 0.00 C ATOM 770 C VAL A 50 5.819 -0.450 0.261 1.00 0.00 C ATOM 771 O VAL A 50 4.705 -0.823 -0.107 1.00 0.00 O ATOM 772 CB VAL A 50 6.512 -1.511 2.430 1.00 0.00 C ATOM 773 CG1 VAL A 50 5.081 -1.967 2.681 1.00 0.00 C ATOM 774 CG2 VAL A 50 7.498 -2.453 3.102 1.00 0.00 C ATOM 0 H VAL A 50 8.691 -0.702 1.470 1.00 0.00 H new ATOM 0 HA VAL A 50 6.698 -2.416 0.507 1.00 0.00 H new ATOM 0 HB VAL A 50 6.632 -0.518 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.902 -2.030 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.388 -1.251 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.927 -2.947 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.277 -2.511 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.412 -3.445 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.512 -2.079 2.961 1.00 0.00 H new ATOM 784 N ILE A 51 6.277 0.791 0.087 1.00 0.00 N ATOM 785 CA ILE A 51 5.500 1.821 -0.554 1.00 0.00 C ATOM 786 C ILE A 51 5.330 1.463 -2.022 1.00 0.00 C ATOM 787 O ILE A 51 4.292 1.731 -2.629 1.00 0.00 O ATOM 788 CB ILE A 51 6.183 3.201 -0.367 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.218 4.158 0.325 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.670 3.791 -1.683 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.830 4.177 -0.286 1.00 0.00 C ATOM 0 H ILE A 51 7.201 1.098 0.392 1.00 0.00 H new ATOM 0 HA ILE A 51 4.512 1.890 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 51 7.066 3.054 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.138 3.881 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.633 5.165 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.140 4.757 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.395 3.116 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.824 3.923 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.202 4.881 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.896 4.484 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.393 3.180 -0.228 1.00 0.00 H new ATOM 803 N SER A 52 6.359 0.813 -2.574 1.00 0.00 N ATOM 804 CA SER A 52 6.323 0.377 -3.950 1.00 0.00 C ATOM 805 C SER A 52 5.367 -0.793 -4.080 1.00 0.00 C ATOM 806 O SER A 52 4.690 -0.961 -5.095 1.00 0.00 O ATOM 807 CB SER A 52 7.713 -0.039 -4.424 1.00 0.00 C ATOM 808 OG SER A 52 8.252 0.920 -5.318 1.00 0.00 O ATOM 0 H SER A 52 7.221 0.583 -2.080 1.00 0.00 H new ATOM 0 HA SER A 52 5.982 1.205 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.375 -0.154 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.658 -1.010 -4.916 1.00 0.00 H new ATOM 0 HG SER A 52 9.221 0.791 -5.391 1.00 0.00 H new ATOM 814 N LEU A 53 5.330 -1.601 -3.028 1.00 0.00 N ATOM 815 CA LEU A 53 4.476 -2.768 -2.983 1.00 0.00 C ATOM 816 C LEU A 53 3.079 -2.404 -2.499 1.00 0.00 C ATOM 817 O LEU A 53 2.163 -3.201 -2.578 1.00 0.00 O ATOM 818 CB LEU A 53 5.081 -3.843 -2.081 1.00 0.00 C ATOM 819 CG LEU A 53 6.587 -3.730 -1.885 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.103 -4.845 -0.989 1.00 0.00 C ATOM 821 CD2 LEU A 53 7.301 -3.738 -3.227 1.00 0.00 C ATOM 0 H LEU A 53 5.891 -1.462 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 53 4.397 -3.163 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.596 -3.796 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.855 -4.822 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 53 6.797 -2.781 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.181 -4.742 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.618 -4.783 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.881 -5.810 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.376 -3.656 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.081 -4.668 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.958 -2.895 -3.827 1.00 0.00 H new ATOM 833 N LEU A 54 2.916 -1.211 -1.965 1.00 0.00 N ATOM 834 CA LEU A 54 1.617 -0.802 -1.477 1.00 0.00 C ATOM 835 C LEU A 54 0.697 -0.337 -2.599 1.00 0.00 C ATOM 836 O LEU A 54 -0.423 -0.833 -2.732 1.00 0.00 O ATOM 837 CB LEU A 54 1.770 0.228 -0.368 1.00 0.00 C ATOM 838 CG LEU A 54 2.207 -0.373 0.980 1.00 0.00 C ATOM 839 CD1 LEU A 54 1.240 0.031 2.082 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.308 -1.906 0.897 1.00 0.00 C ATOM 0 H LEU A 54 3.656 -0.517 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 54 1.125 -1.674 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.501 0.975 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.821 0.747 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 54 3.195 0.021 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.564 -0.403 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.221 1.117 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.241 -0.332 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.619 -2.303 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.336 -2.321 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.041 -2.182 0.139 1.00 0.00 H new ATOM 852 N SER A 55 1.164 0.605 -3.409 1.00 0.00 N ATOM 853 CA SER A 55 0.359 1.111 -4.515 1.00 0.00 C ATOM 854 C SER A 55 0.244 0.077 -5.632 1.00 0.00 C ATOM 855 O SER A 55 -0.761 0.028 -6.343 1.00 0.00 O ATOM 856 CB SER A 55 0.948 2.405 -5.065 1.00 0.00 C ATOM 857 OG SER A 55 2.353 2.448 -4.886 1.00 0.00 O ATOM 0 H SER A 55 2.087 1.031 -3.323 1.00 0.00 H new ATOM 0 HA SER A 55 -0.640 1.314 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.711 2.493 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.489 3.258 -4.564 1.00 0.00 H new ATOM 0 HG SER A 55 2.703 3.288 -5.249 1.00 0.00 H new ATOM 863 N ARG A 56 1.276 -0.744 -5.784 1.00 0.00 N ATOM 864 CA ARG A 56 1.288 -1.775 -6.819 1.00 0.00 C ATOM 865 C ARG A 56 1.237 -3.177 -6.212 1.00 0.00 C ATOM 866 O ARG A 56 1.106 -4.165 -6.931 1.00 0.00 O ATOM 867 CB ARG A 56 2.536 -1.632 -7.692 1.00 0.00 C ATOM 868 CG ARG A 56 2.419 -2.322 -9.042 1.00 0.00 C ATOM 869 CD ARG A 56 3.316 -3.548 -9.128 1.00 0.00 C ATOM 870 NE ARG A 56 4.024 -3.621 -10.405 1.00 0.00 N ATOM 871 CZ ARG A 56 3.471 -4.053 -11.536 1.00 0.00 C ATOM 872 NH1 ARG A 56 2.204 -4.449 -11.554 1.00 0.00 N ATOM 873 NH2 ARG A 56 4.186 -4.090 -12.651 1.00 0.00 N ATOM 0 H ARG A 56 2.115 -0.717 -5.205 1.00 0.00 H new ATOM 0 HA ARG A 56 0.398 -1.639 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.738 -0.573 -7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.392 -2.043 -7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.383 -2.616 -9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.685 -1.621 -9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.040 -3.525 -8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.714 -4.447 -8.995 1.00 0.00 H new ATOM 0 HE ARG A 56 4.999 -3.323 -10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.649 -4.423 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.785 -4.779 -12.423 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.160 -3.787 -12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.762 -4.421 -13.518 1.00 0.00 H new ATOM 887 N GLY A 57 1.345 -3.258 -4.888 1.00 0.00 N ATOM 888 CA GLY A 57 1.313 -4.546 -4.214 1.00 0.00 C ATOM 889 C GLY A 57 -0.083 -4.955 -3.803 1.00 0.00 C ATOM 890 O GLY A 57 -0.374 -6.144 -3.666 1.00 0.00 O ATOM 0 H GLY A 57 1.454 -2.454 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.731 -5.307 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.950 -4.505 -3.331 1.00 0.00 H new ATOM 894 N ILE A 58 -0.948 -3.971 -3.591 1.00 0.00 N ATOM 895 CA ILE A 58 -2.313 -4.238 -3.178 1.00 0.00 C ATOM 896 C ILE A 58 -3.156 -4.747 -4.345 1.00 0.00 C ATOM 897 O ILE A 58 -4.115 -5.494 -4.153 1.00 0.00 O ATOM 898 CB ILE A 58 -2.942 -2.968 -2.551 1.00 0.00 C ATOM 899 CG1 ILE A 58 -3.655 -3.313 -1.251 1.00 0.00 C ATOM 900 CG2 ILE A 58 -3.895 -2.258 -3.504 1.00 0.00 C ATOM 901 CD1 ILE A 58 -3.860 -2.113 -0.356 1.00 0.00 C ATOM 0 H ILE A 58 -0.725 -2.982 -3.699 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.293 -5.024 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.124 -2.279 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.623 -3.758 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.077 -4.066 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.308 -1.375 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.355 -1.957 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.706 -2.933 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.373 -2.422 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.893 -1.681 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.462 -1.369 -0.877 1.00 0.00 H new ATOM 913 N SER A 59 -2.797 -4.327 -5.554 1.00 0.00 N ATOM 914 CA SER A 59 -3.528 -4.733 -6.750 1.00 0.00 C ATOM 915 C SER A 59 -2.819 -5.860 -7.495 1.00 0.00 C ATOM 916 O SER A 59 -3.459 -6.667 -8.169 1.00 0.00 O ATOM 917 CB SER A 59 -3.722 -3.535 -7.681 1.00 0.00 C ATOM 918 OG SER A 59 -2.477 -3.057 -8.162 1.00 0.00 O ATOM 0 H SER A 59 -2.007 -3.707 -5.732 1.00 0.00 H new ATOM 0 HA SER A 59 -4.500 -5.107 -6.429 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.354 -3.822 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.241 -2.737 -7.149 1.00 0.00 H new ATOM 0 HG SER A 59 -2.599 -2.666 -9.053 1.00 0.00 H new ATOM 924 N SER A 60 -1.501 -5.906 -7.380 1.00 0.00 N ATOM 925 CA SER A 60 -0.712 -6.931 -8.054 1.00 0.00 C ATOM 926 C SER A 60 -0.839 -8.281 -7.355 1.00 0.00 C ATOM 927 O SER A 60 -1.238 -9.272 -7.967 1.00 0.00 O ATOM 928 CB SER A 60 0.760 -6.520 -8.120 1.00 0.00 C ATOM 929 OG SER A 60 1.534 -7.498 -8.791 1.00 0.00 O ATOM 0 H SER A 60 -0.953 -5.247 -6.827 1.00 0.00 H new ATOM 0 HA SER A 60 -1.102 -7.031 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.851 -5.564 -8.635 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.146 -6.376 -7.111 1.00 0.00 H new ATOM 0 HG SER A 60 2.470 -7.210 -8.821 1.00 0.00 H new ATOM 935 N TYR A 61 -0.491 -8.316 -6.072 1.00 0.00 N ATOM 936 CA TYR A 61 -0.559 -9.549 -5.292 1.00 0.00 C ATOM 937 C TYR A 61 -1.938 -10.194 -5.401 1.00 0.00 C ATOM 938 O TYR A 61 -2.889 -9.767 -4.746 1.00 0.00 O ATOM 939 CB TYR A 61 -0.227 -9.271 -3.825 1.00 0.00 C ATOM 940 CG TYR A 61 1.255 -9.131 -3.556 1.00 0.00 C ATOM 941 CD1 TYR A 61 1.955 -8.007 -3.975 1.00 0.00 C ATOM 942 CD2 TYR A 61 1.955 -10.126 -2.883 1.00 0.00 C ATOM 943 CE1 TYR A 61 3.309 -7.878 -3.732 1.00 0.00 C ATOM 944 CE2 TYR A 61 3.309 -10.004 -2.637 1.00 0.00 C ATOM 945 CZ TYR A 61 3.981 -8.878 -3.063 1.00 0.00 C ATOM 946 OH TYR A 61 5.330 -8.753 -2.819 1.00 0.00 O ATOM 0 H TYR A 61 -0.159 -7.505 -5.550 1.00 0.00 H new ATOM 0 HA TYR A 61 0.177 -10.243 -5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.732 -8.357 -3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.624 -10.080 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.432 -7.221 -4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.432 -11.009 -2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.838 -6.997 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.838 -10.787 -2.114 1.00 0.00 H new ATOM 0 HH TYR A 61 5.650 -9.544 -2.337 1.00 0.00 H new ATOM 956 N TYR A 62 -2.037 -11.225 -6.235 1.00 0.00 N ATOM 957 CA TYR A 62 -3.297 -11.932 -6.434 1.00 0.00 C ATOM 958 C TYR A 62 -4.356 -11.001 -7.016 1.00 0.00 C ATOM 959 O TYR A 62 -4.735 -10.010 -6.392 1.00 0.00 O ATOM 960 CB TYR A 62 -3.790 -12.524 -5.113 1.00 0.00 C ATOM 961 CG TYR A 62 -4.638 -13.764 -5.285 1.00 0.00 C ATOM 962 CD1 TYR A 62 -5.988 -13.667 -5.603 1.00 0.00 C ATOM 963 CD2 TYR A 62 -4.091 -15.031 -5.131 1.00 0.00 C ATOM 964 CE1 TYR A 62 -6.767 -14.796 -5.762 1.00 0.00 C ATOM 965 CE2 TYR A 62 -4.864 -16.166 -5.289 1.00 0.00 C ATOM 966 CZ TYR A 62 -6.201 -16.044 -5.604 1.00 0.00 C ATOM 967 OH TYR A 62 -6.973 -17.171 -5.761 1.00 0.00 O ATOM 0 H TYR A 62 -1.259 -11.589 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.122 -12.742 -7.142 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.929 -12.766 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.368 -11.770 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.435 -12.692 -5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.044 -15.131 -4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -7.814 -14.702 -6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.423 -17.144 -5.166 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.421 -17.968 -5.617 1.00 0.00 H new ATOM 977 N LEU A 63 -4.828 -11.325 -8.214 1.00 0.00 N ATOM 978 CA LEU A 63 -5.842 -10.516 -8.880 1.00 0.00 C ATOM 979 C LEU A 63 -6.804 -11.394 -9.676 1.00 0.00 C ATOM 980 O LEU A 63 -6.591 -11.650 -10.861 1.00 0.00 O ATOM 981 CB LEU A 63 -5.179 -9.491 -9.803 1.00 0.00 C ATOM 982 CG LEU A 63 -5.644 -8.047 -9.608 1.00 0.00 C ATOM 983 CD1 LEU A 63 -4.946 -7.123 -10.595 1.00 0.00 C ATOM 984 CD2 LEU A 63 -7.154 -7.949 -9.761 1.00 0.00 C ATOM 0 H LEU A 63 -4.525 -12.142 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.413 -9.989 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.100 -9.533 -9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.367 -9.781 -10.837 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.379 -7.733 -8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.290 -6.100 -10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.868 -7.171 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.179 -7.435 -11.613 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.468 -6.915 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.441 -8.282 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.637 -8.580 -9.015 1.00 0.00 H new ATOM 996 N SER A 64 -7.864 -11.849 -9.017 1.00 0.00 N ATOM 997 CA SER A 64 -8.859 -12.697 -9.666 1.00 0.00 C ATOM 998 C SER A 64 -10.130 -11.911 -9.996 1.00 0.00 C ATOM 999 O SER A 64 -11.119 -12.482 -10.453 1.00 0.00 O ATOM 1000 CB SER A 64 -9.202 -13.890 -8.772 1.00 0.00 C ATOM 1001 OG SER A 64 -9.543 -15.027 -9.546 1.00 0.00 O ATOM 0 H SER A 64 -8.057 -11.646 -8.036 1.00 0.00 H new ATOM 0 HA SER A 64 -8.430 -13.059 -10.601 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.352 -14.124 -8.131 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.033 -13.630 -8.117 1.00 0.00 H new ATOM 0 HG SER A 64 -9.756 -15.776 -8.951 1.00 0.00 H new ATOM 1007 N HIS A 65 -10.095 -10.599 -9.765 1.00 0.00 N ATOM 1008 CA HIS A 65 -11.243 -9.741 -10.044 1.00 0.00 C ATOM 1009 C HIS A 65 -12.444 -10.131 -9.189 1.00 0.00 C ATOM 1010 O HIS A 65 -12.883 -11.280 -9.202 1.00 0.00 O ATOM 1011 CB HIS A 65 -11.613 -9.814 -11.527 1.00 0.00 C ATOM 1012 CG HIS A 65 -12.720 -8.882 -11.916 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -12.780 -7.569 -11.496 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -13.811 -9.077 -12.693 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -13.863 -6.999 -11.998 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -14.504 -7.892 -12.728 1.00 0.00 N ATOM 0 H HIS A 65 -9.285 -10.109 -9.386 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.964 -8.717 -9.794 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.730 -9.586 -12.125 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.907 -10.835 -11.770 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.086 -9.994 -13.193 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.170 -5.976 -11.838 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.373 -7.729 -13.236 1.00 0.00 H new ATOM 1025 N LYS A 66 -12.974 -9.162 -8.449 1.00 0.00 N ATOM 1026 CA LYS A 66 -14.130 -9.399 -7.591 1.00 0.00 C ATOM 1027 C LYS A 66 -13.820 -10.445 -6.524 1.00 0.00 C ATOM 1028 O LYS A 66 -12.831 -11.171 -6.620 1.00 0.00 O ATOM 1029 CB LYS A 66 -15.326 -9.855 -8.430 1.00 0.00 C ATOM 1030 CG LYS A 66 -16.226 -8.716 -8.877 1.00 0.00 C ATOM 1031 CD LYS A 66 -17.097 -8.217 -7.736 1.00 0.00 C ATOM 1032 CE LYS A 66 -17.614 -6.813 -8.003 1.00 0.00 C ATOM 1033 NZ LYS A 66 -18.237 -6.212 -6.791 1.00 0.00 N ATOM 0 H LYS A 66 -12.621 -8.205 -8.426 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.374 -8.461 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.961 -10.385 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.915 -10.566 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.616 -7.896 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.858 -9.051 -9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.939 -8.895 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.524 -8.225 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.792 -6.181 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.345 -6.843 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.577 -5.255 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.037 -6.801 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.532 -6.160 -6.028 1.00 0.00 H new ATOM 1047 N ARG A 67 -14.682 -10.518 -5.513 1.00 0.00 N ATOM 1048 CA ARG A 67 -14.516 -11.477 -4.424 1.00 0.00 C ATOM 1049 C ARG A 67 -13.304 -11.136 -3.562 1.00 0.00 C ATOM 1050 O ARG A 67 -13.443 -10.807 -2.384 1.00 0.00 O ATOM 1051 CB ARG A 67 -14.380 -12.897 -4.982 1.00 0.00 C ATOM 1052 CG ARG A 67 -15.422 -13.864 -4.444 1.00 0.00 C ATOM 1053 CD ARG A 67 -16.578 -14.036 -5.417 1.00 0.00 C ATOM 1054 NE ARG A 67 -17.533 -12.933 -5.337 1.00 0.00 N ATOM 1055 CZ ARG A 67 -18.364 -12.746 -4.313 1.00 0.00 C ATOM 1056 NH1 ARG A 67 -18.354 -13.578 -3.280 1.00 0.00 N ATOM 1057 NH2 ARG A 67 -19.206 -11.721 -4.324 1.00 0.00 N ATOM 0 H ARG A 67 -15.505 -9.922 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 67 -15.404 -11.423 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.457 -12.860 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.386 -13.278 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.958 -14.832 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.800 -13.499 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.189 -14.105 -6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.091 -14.975 -5.208 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.565 -12.268 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.707 -14.367 -3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.993 -13.429 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.216 -11.078 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.843 -11.576 -3.541 1.00 0.00 H new ATOM 1071 N ILE A 68 -12.117 -11.218 -4.153 1.00 0.00 N ATOM 1072 CA ILE A 68 -10.885 -10.918 -3.431 1.00 0.00 C ATOM 1073 C ILE A 68 -10.499 -9.453 -3.590 1.00 0.00 C ATOM 1074 O ILE A 68 -10.767 -8.838 -4.621 1.00 0.00 O ATOM 1075 CB ILE A 68 -9.703 -11.805 -3.889 1.00 0.00 C ATOM 1076 CG1 ILE A 68 -9.778 -12.094 -5.396 1.00 0.00 C ATOM 1077 CG2 ILE A 68 -9.669 -13.098 -3.085 1.00 0.00 C ATOM 1078 CD1 ILE A 68 -10.632 -13.295 -5.756 1.00 0.00 C ATOM 0 H ILE A 68 -11.981 -11.489 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.088 -11.132 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.776 -11.261 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.174 -11.215 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.768 -12.253 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.832 -13.712 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.550 -12.865 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.601 -13.643 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.632 -13.430 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.225 -14.187 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.653 -13.132 -5.410 1.00 0.00 H new ATOM 1090 N ILE A 69 -9.870 -8.900 -2.555 1.00 0.00 N ATOM 1091 CA ILE A 69 -9.447 -7.505 -2.568 1.00 0.00 C ATOM 1092 C ILE A 69 -10.649 -6.565 -2.516 1.00 0.00 C ATOM 1093 O ILE A 69 -11.060 -6.012 -3.535 1.00 0.00 O ATOM 1094 CB ILE A 69 -8.607 -7.176 -3.820 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -7.463 -8.183 -3.977 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -8.069 -5.753 -3.738 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -6.362 -8.022 -2.951 1.00 0.00 C ATOM 0 H ILE A 69 -9.642 -9.400 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.831 -7.357 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.247 -7.249 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.868 -9.193 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.035 -8.080 -4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.479 -5.535 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.902 -5.052 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.441 -5.652 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.589 -8.770 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.929 -7.025 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.774 -8.155 -1.951 1.00 0.00 H new ATOM 1109 N PRO A 70 -11.232 -6.371 -1.319 1.00 0.00 N ATOM 1110 CA PRO A 70 -12.390 -5.492 -1.147 1.00 0.00 C ATOM 1111 C PRO A 70 -12.021 -4.018 -1.300 1.00 0.00 C ATOM 1112 O PRO A 70 -10.877 -3.685 -1.606 1.00 0.00 O ATOM 1113 CB PRO A 70 -12.861 -5.785 0.275 1.00 0.00 C ATOM 1114 CG PRO A 70 -11.665 -6.315 0.987 1.00 0.00 C ATOM 1115 CD PRO A 70 -10.807 -6.989 -0.050 1.00 0.00 C ATOM 0 HA PRO A 70 -13.155 -5.675 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.238 -4.883 0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.674 -6.511 0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.118 -5.510 1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.959 -7.021 1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.747 -6.823 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -10.964 -8.068 -0.059 1.00 0.00 H new ATOM 1123 N SER A 71 -12.995 -3.138 -1.084 1.00 0.00 N ATOM 1124 CA SER A 71 -12.765 -1.700 -1.198 1.00 0.00 C ATOM 1125 C SER A 71 -11.641 -1.253 -0.269 1.00 0.00 C ATOM 1126 O SER A 71 -10.826 -0.403 -0.628 1.00 0.00 O ATOM 1127 CB SER A 71 -14.047 -0.928 -0.876 1.00 0.00 C ATOM 1128 OG SER A 71 -14.814 -0.702 -2.046 1.00 0.00 O ATOM 0 H SER A 71 -13.949 -3.394 -0.830 1.00 0.00 H new ATOM 0 HA SER A 71 -12.470 -1.486 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.639 -1.487 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.794 0.026 -0.413 1.00 0.00 H new ATOM 0 HG SER A 71 -15.628 -0.209 -1.813 1.00 0.00 H new ATOM 1134 N SER A 72 -11.603 -1.833 0.929 1.00 0.00 N ATOM 1135 CA SER A 72 -10.577 -1.500 1.921 1.00 0.00 C ATOM 1136 C SER A 72 -9.166 -1.871 1.458 1.00 0.00 C ATOM 1137 O SER A 72 -8.253 -1.979 2.275 1.00 0.00 O ATOM 1138 CB SER A 72 -10.887 -2.190 3.246 1.00 0.00 C ATOM 1139 OG SER A 72 -10.567 -1.354 4.343 1.00 0.00 O ATOM 0 H SER A 72 -12.272 -2.538 1.239 1.00 0.00 H new ATOM 0 HA SER A 72 -10.599 -0.418 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.944 -2.455 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.322 -3.120 3.316 1.00 0.00 H new ATOM 0 HG SER A 72 -11.329 -1.314 4.957 1.00 0.00 H new ATOM 1145 N MET A 73 -8.981 -2.048 0.156 1.00 0.00 N ATOM 1146 CA MET A 73 -7.674 -2.381 -0.393 1.00 0.00 C ATOM 1147 C MET A 73 -7.226 -1.285 -1.349 1.00 0.00 C ATOM 1148 O MET A 73 -6.046 -0.956 -1.443 1.00 0.00 O ATOM 1149 CB MET A 73 -7.724 -3.721 -1.129 1.00 0.00 C ATOM 1150 CG MET A 73 -8.274 -4.858 -0.287 1.00 0.00 C ATOM 1151 SD MET A 73 -6.984 -5.782 0.571 1.00 0.00 S ATOM 1152 CE MET A 73 -5.864 -4.461 1.031 1.00 0.00 C ATOM 0 H MET A 73 -9.722 -1.966 -0.540 1.00 0.00 H new ATOM 0 HA MET A 73 -6.961 -2.463 0.428 1.00 0.00 H new ATOM 0 HB2 MET A 73 -8.338 -3.612 -2.023 1.00 0.00 H new ATOM 0 HB3 MET A 73 -6.719 -3.980 -1.462 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.974 -4.456 0.445 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.837 -5.538 -0.926 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.928 -4.887 1.393 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.665 -3.834 0.162 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.317 -3.858 1.818 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.199 -0.726 -2.049 1.00 0.00 N ATOM 1163 CA LEU A 74 -7.963 0.336 -3.006 1.00 0.00 C ATOM 1164 C LEU A 74 -7.779 1.675 -2.302 1.00 0.00 C ATOM 1165 O LEU A 74 -7.104 2.562 -2.811 1.00 0.00 O ATOM 1166 CB LEU A 74 -9.164 0.405 -3.953 1.00 0.00 C ATOM 1167 CG LEU A 74 -9.409 1.749 -4.649 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -8.634 1.829 -5.955 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -10.898 1.952 -4.894 1.00 0.00 C ATOM 0 H LEU A 74 -9.178 -0.999 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.050 0.125 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.038 -0.359 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.059 0.145 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.053 2.546 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.823 2.791 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.568 1.727 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.955 1.026 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.058 2.910 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.275 1.149 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.428 1.942 -3.942 1.00 0.00 H new ATOM 1181 N THR A 75 -8.411 1.819 -1.146 1.00 0.00 N ATOM 1182 CA THR A 75 -8.352 3.057 -0.387 1.00 0.00 C ATOM 1183 C THR A 75 -7.011 3.244 0.308 1.00 0.00 C ATOM 1184 O THR A 75 -6.647 4.361 0.676 1.00 0.00 O ATOM 1185 CB THR A 75 -9.502 3.094 0.625 1.00 0.00 C ATOM 1186 OG1 THR A 75 -10.561 3.905 0.149 1.00 0.00 O ATOM 1187 CG2 THR A 75 -9.115 3.611 1.999 1.00 0.00 C ATOM 0 H THR A 75 -8.974 1.087 -0.712 1.00 0.00 H new ATOM 0 HA THR A 75 -8.458 3.886 -1.087 1.00 0.00 H new ATOM 0 HB THR A 75 -9.804 2.052 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.287 3.915 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.989 3.603 2.650 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.340 2.972 2.423 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.737 4.630 1.911 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.273 2.165 0.487 1.00 0.00 N ATOM 1196 CA ILE A 76 -4.978 2.269 1.130 1.00 0.00 C ATOM 1197 C ILE A 76 -3.917 2.581 0.090 1.00 0.00 C ATOM 1198 O ILE A 76 -3.204 3.578 0.194 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.608 0.984 1.905 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.425 0.895 3.195 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.115 0.940 2.213 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.669 0.044 3.061 1.00 0.00 C ATOM 0 H ILE A 76 -6.541 1.223 0.202 1.00 0.00 H new ATOM 0 HA ILE A 76 -5.030 3.079 1.858 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.845 0.125 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.797 0.486 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.713 1.900 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.883 0.025 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.550 0.960 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.843 1.804 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.201 0.024 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.317 0.465 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.387 -0.971 2.782 1.00 0.00 H new ATOM 1214 N TYR A 77 -3.839 1.740 -0.931 1.00 0.00 N ATOM 1215 CA TYR A 77 -2.887 1.949 -2.007 1.00 0.00 C ATOM 1216 C TYR A 77 -3.098 3.332 -2.600 1.00 0.00 C ATOM 1217 O TYR A 77 -2.153 4.004 -3.010 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.045 0.845 -3.059 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.783 1.234 -4.328 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.351 2.283 -5.131 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -4.911 0.532 -4.720 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -4.027 2.622 -6.289 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -5.595 0.863 -5.874 1.00 0.00 C ATOM 1224 CZ TYR A 77 -5.150 1.909 -6.655 1.00 0.00 C ATOM 1225 OH TYR A 77 -5.825 2.242 -7.806 1.00 0.00 O ATOM 0 H TYR A 77 -4.422 0.910 -1.035 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.867 1.897 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.052 0.489 -3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.569 0.006 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.473 2.843 -4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.262 -0.289 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.678 3.439 -6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.474 0.305 -6.163 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.311 1.943 -8.585 1.00 0.00 H new ATOM 1235 N THR A 78 -4.354 3.755 -2.624 1.00 0.00 N ATOM 1236 CA THR A 78 -4.699 5.061 -3.140 1.00 0.00 C ATOM 1237 C THR A 78 -4.102 6.129 -2.235 1.00 0.00 C ATOM 1238 O THR A 78 -3.449 7.057 -2.690 1.00 0.00 O ATOM 1239 CB THR A 78 -6.226 5.216 -3.222 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.592 6.094 -4.270 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.848 5.733 -1.951 1.00 0.00 C ATOM 0 H THR A 78 -5.148 3.208 -2.291 1.00 0.00 H new ATOM 0 HA THR A 78 -4.293 5.174 -4.145 1.00 0.00 H new ATOM 0 HB THR A 78 -6.602 4.209 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.975 5.578 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.927 5.817 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.634 5.043 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.434 6.713 -1.716 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.319 5.946 -0.942 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.821 6.855 0.078 1.00 0.00 C ATOM 1251 C GLN A 79 -2.320 6.990 -0.057 1.00 0.00 C ATOM 1252 O GLN A 79 -1.740 8.056 0.151 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.177 6.336 1.472 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.538 6.801 1.966 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.445 8.028 2.850 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -4.596 8.973 2.463 1.00 0.00 O flip ATOM 1257 NE2 GLN A 79 -6.127 8.126 3.870 1.00 0.00 N flip ATOM 0 H GLN A 79 -4.849 5.158 -0.569 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.286 7.832 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.157 5.246 1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.413 6.662 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.176 7.021 1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.016 5.993 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.767 7.375 4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.052 8.958 4.455 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.711 5.882 -0.430 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.288 5.797 -0.637 1.00 0.00 C ATOM 1268 C ILE A 80 0.180 6.867 -1.627 1.00 0.00 C ATOM 1269 O ILE A 80 1.057 7.669 -1.310 1.00 0.00 O ATOM 1270 CB ILE A 80 0.040 4.378 -1.136 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.666 3.564 -0.021 1.00 0.00 C ATOM 1272 CG2 ILE A 80 0.903 4.376 -2.370 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.339 2.680 0.662 1.00 0.00 C ATOM 0 H ILE A 80 -2.203 5.005 -0.599 1.00 0.00 H new ATOM 0 HA ILE A 80 0.242 5.982 0.297 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.901 3.911 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.471 2.952 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.115 4.236 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.101 3.348 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.388 4.900 -3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.846 4.878 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.152 2.115 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.131 3.294 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.769 1.989 -0.064 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.431 6.888 -2.811 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.088 7.880 -3.829 1.00 0.00 C ATOM 1287 C GLN A 81 -0.325 9.285 -3.286 1.00 0.00 C ATOM 1288 O GLN A 81 0.355 10.238 -3.654 1.00 0.00 O ATOM 1289 CB GLN A 81 -0.925 7.663 -5.091 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.443 6.505 -5.950 1.00 0.00 C ATOM 1291 CD GLN A 81 -0.160 6.918 -7.381 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -1.039 7.425 -8.079 1.00 0.00 O ATOM 1293 NE2 GLN A 81 1.074 6.706 -7.825 1.00 0.00 N ATOM 0 H GLN A 81 -1.162 6.233 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 81 0.965 7.766 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.961 7.484 -4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.912 8.576 -5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.462 6.084 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.196 5.716 -5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.771 6.283 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.325 6.966 -8.779 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.293 9.386 -2.392 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.647 10.650 -1.755 1.00 0.00 C ATOM 1304 C LYS A 82 -0.532 11.133 -0.886 1.00 0.00 C ATOM 1305 O LYS A 82 -0.371 12.327 -0.673 1.00 0.00 O ATOM 1306 CB LYS A 82 -2.876 10.487 -0.874 1.00 0.00 C ATOM 1307 CG LYS A 82 -3.901 9.578 -1.444 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.395 10.094 -2.766 1.00 0.00 C ATOM 1309 CE LYS A 82 -4.611 8.983 -3.764 1.00 0.00 C ATOM 1310 NZ LYS A 82 -5.332 9.450 -4.980 1.00 0.00 N ATOM 0 H LYS A 82 -1.859 8.595 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.846 11.366 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.567 10.107 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.324 11.466 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.479 8.581 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.736 9.484 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.330 10.634 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.675 10.807 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.647 8.565 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.178 8.180 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.022 8.894 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.356 9.328 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.122 10.455 -5.143 1.00 0.00 H new ATOM 1324 N ASP A 83 0.247 10.202 -0.391 1.00 0.00 N ATOM 1325 CA ASP A 83 1.350 10.555 0.443 1.00 0.00 C ATOM 1326 C ASP A 83 2.470 11.017 -0.464 1.00 0.00 C ATOM 1327 O ASP A 83 3.334 11.815 -0.097 1.00 0.00 O ATOM 1328 CB ASP A 83 1.785 9.365 1.299 1.00 0.00 C ATOM 1329 CG ASP A 83 0.636 8.766 2.085 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.243 9.534 2.528 1.00 0.00 O ATOM 1331 OD2 ASP A 83 0.615 7.530 2.257 1.00 0.00 O ATOM 0 H ASP A 83 0.132 9.202 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 83 1.072 11.352 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.220 8.599 0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.566 9.684 1.989 1.00 0.00 H new ATOM 1336 N ILE A 84 2.406 10.483 -1.676 1.00 0.00 N ATOM 1337 CA ILE A 84 3.352 10.761 -2.723 1.00 0.00 C ATOM 1338 C ILE A 84 3.165 12.164 -3.300 1.00 0.00 C ATOM 1339 O ILE A 84 4.084 12.983 -3.262 1.00 0.00 O ATOM 1340 CB ILE A 84 3.187 9.718 -3.841 1.00 0.00 C ATOM 1341 CG1 ILE A 84 3.266 8.294 -3.286 1.00 0.00 C ATOM 1342 CG2 ILE A 84 4.232 9.921 -4.893 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.224 8.153 -2.133 1.00 0.00 C ATOM 0 H ILE A 84 1.674 9.830 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 84 4.354 10.709 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 84 2.201 9.852 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.273 7.982 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.569 7.617 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.106 9.177 -5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.131 10.920 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.221 9.814 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.230 7.119 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.226 8.434 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.910 8.805 -1.317 1.00 0.00 H new ATOM 1355 N LYS A 85 1.976 12.441 -3.836 1.00 0.00 N ATOM 1356 CA LYS A 85 1.701 13.752 -4.411 1.00 0.00 C ATOM 1357 C LYS A 85 1.638 14.800 -3.327 1.00 0.00 C ATOM 1358 O LYS A 85 1.972 15.964 -3.548 1.00 0.00 O ATOM 1359 CB LYS A 85 0.371 13.803 -5.177 1.00 0.00 C ATOM 1360 CG LYS A 85 -0.142 12.480 -5.697 1.00 0.00 C ATOM 1361 CD LYS A 85 0.703 11.963 -6.850 1.00 0.00 C ATOM 1362 CE LYS A 85 1.579 10.810 -6.417 1.00 0.00 C ATOM 1363 NZ LYS A 85 2.251 10.154 -7.574 1.00 0.00 N ATOM 0 H LYS A 85 1.199 11.782 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 85 2.517 13.947 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.387 14.233 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.486 14.483 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.143 11.748 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.175 12.594 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.053 11.643 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.325 12.770 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.333 11.170 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.975 10.076 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.630 9.232 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.563 10.015 -8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.029 10.756 -7.911 1.00 0.00 H new ATOM 1377 N ASN A 86 1.167 14.389 -2.161 1.00 0.00 N ATOM 1378 CA ASN A 86 1.021 15.321 -1.059 1.00 0.00 C ATOM 1379 C ASN A 86 2.372 15.811 -0.565 1.00 0.00 C ATOM 1380 O ASN A 86 2.500 16.937 -0.083 1.00 0.00 O ATOM 1381 CB ASN A 86 0.235 14.701 0.098 1.00 0.00 C ATOM 1382 CG ASN A 86 0.039 15.668 1.251 1.00 0.00 C ATOM 1383 OD1 ASN A 86 1.086 15.861 2.047 1.00 0.00 O flip ATOM 1384 ND2 ASN A 86 -1.039 16.235 1.425 1.00 0.00 N flip ATOM 0 H ASN A 86 0.883 13.431 -1.956 1.00 0.00 H new ATOM 0 HA ASN A 86 0.460 16.175 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.738 14.370 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.760 13.815 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.817 16.058 0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.155 16.882 2.205 1.00 0.00 H new ATOM 1391 N GLY A 87 3.371 14.954 -0.673 1.00 0.00 N ATOM 1392 CA GLY A 87 4.699 15.308 -0.217 1.00 0.00 C ATOM 1393 C GLY A 87 4.956 14.790 1.179 1.00 0.00 C ATOM 1394 O GLY A 87 5.729 15.374 1.939 1.00 0.00 O ATOM 0 H GLY A 87 3.288 14.017 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.442 14.899 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.814 16.392 -0.232 1.00 0.00 H new ATOM 1398 N ASN A 88 4.322 13.670 1.497 1.00 0.00 N ATOM 1399 CA ASN A 88 4.488 13.030 2.784 1.00 0.00 C ATOM 1400 C ASN A 88 5.594 11.999 2.666 1.00 0.00 C ATOM 1401 O ASN A 88 6.207 11.584 3.648 1.00 0.00 O ATOM 1402 CB ASN A 88 3.180 12.367 3.221 1.00 0.00 C ATOM 1403 CG ASN A 88 2.457 13.162 4.291 1.00 0.00 C ATOM 1404 OD1 ASN A 88 3.081 13.853 5.096 1.00 0.00 O ATOM 1405 ND2 ASN A 88 1.132 13.070 4.304 1.00 0.00 N ATOM 0 H ASN A 88 3.681 13.185 0.869 1.00 0.00 H new ATOM 0 HA ASN A 88 4.754 13.771 3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.528 12.251 2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.391 11.366 3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.592 13.584 5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.655 12.485 3.618 1.00 0.00 H new ATOM 1412 N ILE A 89 5.818 11.599 1.423 1.00 0.00 N ATOM 1413 CA ILE A 89 6.800 10.628 1.049 1.00 0.00 C ATOM 1414 C ILE A 89 7.935 11.322 0.312 1.00 0.00 C ATOM 1415 O ILE A 89 7.806 12.482 -0.082 1.00 0.00 O ATOM 1416 CB ILE A 89 6.093 9.632 0.129 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.976 8.889 0.870 1.00 0.00 C ATOM 1418 CG2 ILE A 89 7.066 8.680 -0.473 1.00 0.00 C ATOM 1419 CD1 ILE A 89 5.178 8.756 2.369 1.00 0.00 C ATOM 0 H ILE A 89 5.294 11.964 0.628 1.00 0.00 H new ATOM 0 HA ILE A 89 7.223 10.120 1.916 1.00 0.00 H new ATOM 0 HB ILE A 89 5.632 10.196 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.034 9.407 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.878 7.891 0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.538 7.982 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.803 9.233 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.571 8.127 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.336 8.216 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.100 8.208 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.243 9.748 2.817 1.00 0.00 H new ATOM 1431 N ASP A 90 9.035 10.620 0.114 1.00 0.00 N ATOM 1432 CA ASP A 90 10.164 11.190 -0.587 1.00 0.00 C ATOM 1433 C ASP A 90 10.355 10.444 -1.886 1.00 0.00 C ATOM 1434 O ASP A 90 11.223 9.581 -2.007 1.00 0.00 O ATOM 1435 CB ASP A 90 11.421 11.121 0.271 1.00 0.00 C ATOM 1436 CG ASP A 90 11.303 11.949 1.537 1.00 0.00 C ATOM 1437 OD1 ASP A 90 10.460 12.870 1.568 1.00 0.00 O ATOM 1438 OD2 ASP A 90 12.055 11.677 2.496 1.00 0.00 O ATOM 0 H ASP A 90 9.168 9.659 0.428 1.00 0.00 H new ATOM 0 HA ASP A 90 9.972 12.242 -0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.620 10.083 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.274 11.471 -0.310 1.00 0.00 H new ATOM 1443 N THR A 91 9.497 10.759 -2.848 1.00 0.00 N ATOM 1444 CA THR A 91 9.510 10.102 -4.135 1.00 0.00 C ATOM 1445 C THR A 91 10.877 10.083 -4.793 1.00 0.00 C ATOM 1446 O THR A 91 11.075 9.366 -5.768 1.00 0.00 O ATOM 1447 CB THR A 91 8.458 10.710 -5.039 1.00 0.00 C ATOM 1448 OG1 THR A 91 8.199 12.058 -4.695 1.00 0.00 O ATOM 1449 CG2 THR A 91 7.163 9.951 -4.975 1.00 0.00 C ATOM 0 H THR A 91 8.777 11.476 -2.752 1.00 0.00 H new ATOM 0 HA THR A 91 9.265 9.054 -3.961 1.00 0.00 H new ATOM 0 HB THR A 91 8.860 10.657 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.456 12.096 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.434 10.418 -5.637 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.329 8.920 -5.288 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.784 9.963 -3.953 1.00 0.00 H new ATOM 1457 N GLU A 92 11.833 10.815 -4.242 1.00 0.00 N ATOM 1458 CA GLU A 92 13.175 10.798 -4.780 1.00 0.00 C ATOM 1459 C GLU A 92 13.761 9.432 -4.489 1.00 0.00 C ATOM 1460 O GLU A 92 14.346 8.785 -5.356 1.00 0.00 O ATOM 1461 CB GLU A 92 14.016 11.915 -4.162 1.00 0.00 C ATOM 1462 CG GLU A 92 13.272 13.239 -4.060 1.00 0.00 C ATOM 1463 CD GLU A 92 13.649 14.028 -2.821 1.00 0.00 C ATOM 1464 OE1 GLU A 92 13.473 13.498 -1.704 1.00 0.00 O ATOM 1465 OE2 GLU A 92 14.120 15.175 -2.969 1.00 0.00 O ATOM 0 H GLU A 92 11.703 11.420 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 92 13.165 10.975 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.339 11.610 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.916 12.057 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.483 13.839 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.199 13.048 -4.052 1.00 0.00 H new ATOM 1472 N LYS A 93 13.533 8.979 -3.264 1.00 0.00 N ATOM 1473 CA LYS A 93 13.965 7.666 -2.836 1.00 0.00 C ATOM 1474 C LYS A 93 13.183 6.617 -3.606 1.00 0.00 C ATOM 1475 O LYS A 93 13.747 5.709 -4.217 1.00 0.00 O ATOM 1476 CB LYS A 93 13.734 7.503 -1.333 1.00 0.00 C ATOM 1477 CG LYS A 93 14.745 8.255 -0.490 1.00 0.00 C ATOM 1478 CD LYS A 93 14.081 9.305 0.382 1.00 0.00 C ATOM 1479 CE LYS A 93 13.356 8.680 1.567 1.00 0.00 C ATOM 1480 NZ LYS A 93 14.267 8.491 2.731 1.00 0.00 N ATOM 0 H LYS A 93 13.045 9.513 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 93 15.030 7.545 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.732 7.853 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.774 6.444 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.289 7.551 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.477 8.733 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.834 10.005 0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.373 9.879 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.520 9.315 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.938 7.718 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.234 7.499 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.239 8.735 2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.965 9.107 3.512 1.00 0.00 H new ATOM 1494 N LEU A 94 11.869 6.787 -3.589 1.00 0.00 N ATOM 1495 CA LEU A 94 10.953 5.920 -4.288 1.00 0.00 C ATOM 1496 C LEU A 94 11.337 5.815 -5.753 1.00 0.00 C ATOM 1497 O LEU A 94 11.229 4.755 -6.366 1.00 0.00 O ATOM 1498 CB LEU A 94 9.554 6.502 -4.165 1.00 0.00 C ATOM 1499 CG LEU A 94 8.949 6.424 -2.769 1.00 0.00 C ATOM 1500 CD1 LEU A 94 9.365 7.589 -1.888 1.00 0.00 C ATOM 1501 CD2 LEU A 94 7.435 6.355 -2.867 1.00 0.00 C ATOM 0 H LEU A 94 11.411 7.543 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 94 10.988 4.922 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.582 7.546 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.896 5.980 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 94 9.331 5.518 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.906 7.484 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.450 7.596 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.038 8.524 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.008 6.299 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.062 7.246 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.147 5.470 -3.434 1.00 0.00 H new ATOM 1513 N ARG A 95 11.779 6.938 -6.305 1.00 0.00 N ATOM 1514 CA ARG A 95 12.174 7.006 -7.695 1.00 0.00 C ATOM 1515 C ARG A 95 13.475 6.266 -7.935 1.00 0.00 C ATOM 1516 O ARG A 95 13.599 5.516 -8.896 1.00 0.00 O ATOM 1517 CB ARG A 95 12.291 8.480 -8.109 1.00 0.00 C ATOM 1518 CG ARG A 95 13.565 8.843 -8.853 1.00 0.00 C ATOM 1519 CD ARG A 95 13.634 8.191 -10.224 1.00 0.00 C ATOM 1520 NE ARG A 95 12.310 7.955 -10.797 1.00 0.00 N ATOM 1521 CZ ARG A 95 11.570 8.903 -11.369 1.00 0.00 C ATOM 1522 NH1 ARG A 95 12.024 10.148 -11.453 1.00 0.00 N ATOM 1523 NH2 ARG A 95 10.375 8.605 -11.860 1.00 0.00 N ATOM 0 H ARG A 95 11.871 7.819 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 95 11.415 6.518 -8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.437 8.733 -8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.223 9.099 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.623 9.926 -8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.429 8.536 -8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.210 8.826 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.167 7.244 -10.146 1.00 0.00 H new ATOM 0 HE ARG A 95 11.931 7.009 -10.756 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.943 10.382 -11.078 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.453 10.870 -11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.023 7.650 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.808 9.331 -12.298 1.00 0.00 H new ATOM 1537 N LYS A 96 14.431 6.482 -7.052 1.00 0.00 N ATOM 1538 CA LYS A 96 15.732 5.831 -7.170 1.00 0.00 C ATOM 1539 C LYS A 96 15.586 4.336 -6.969 1.00 0.00 C ATOM 1540 O LYS A 96 16.034 3.535 -7.790 1.00 0.00 O ATOM 1541 CB LYS A 96 16.730 6.403 -6.154 1.00 0.00 C ATOM 1542 CG LYS A 96 17.092 7.866 -6.376 1.00 0.00 C ATOM 1543 CD LYS A 96 17.122 8.225 -7.850 1.00 0.00 C ATOM 1544 CE LYS A 96 18.265 7.529 -8.570 1.00 0.00 C ATOM 1545 NZ LYS A 96 19.505 8.351 -8.570 1.00 0.00 N ATOM 0 H LYS A 96 14.337 7.100 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 96 16.118 6.023 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.313 6.293 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.642 5.808 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.370 8.500 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 96 18.067 8.070 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.175 7.946 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.225 9.305 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.465 6.570 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 96 17.971 7.317 -9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 20.260 7.840 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 19.322 9.256 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 19.801 8.533 -7.590 1.00 0.00 H new ATOM 1559 N TYR A 97 14.940 3.971 -5.877 1.00 0.00 N ATOM 1560 CA TYR A 97 14.710 2.577 -5.567 1.00 0.00 C ATOM 1561 C TYR A 97 13.858 1.934 -6.657 1.00 0.00 C ATOM 1562 O TYR A 97 14.031 0.761 -6.972 1.00 0.00 O ATOM 1563 CB TYR A 97 14.047 2.461 -4.193 1.00 0.00 C ATOM 1564 CG TYR A 97 12.966 1.423 -4.116 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.274 0.080 -4.244 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.644 1.786 -3.921 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.290 -0.884 -4.176 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.654 0.834 -3.854 1.00 0.00 C ATOM 1569 CZ TYR A 97 10.980 -0.504 -3.982 1.00 0.00 C ATOM 1570 OH TYR A 97 9.996 -1.462 -3.917 1.00 0.00 O ATOM 0 H TYR A 97 14.565 4.625 -5.190 1.00 0.00 H new ATOM 0 HA TYR A 97 15.660 2.045 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.812 2.228 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.625 3.429 -3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.300 -0.218 -4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.387 2.830 -3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.544 -1.929 -4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.626 1.130 -3.702 1.00 0.00 H new ATOM 0 HH TYR A 97 10.090 -1.972 -3.086 1.00 0.00 H new ATOM 1580 N GLU A 98 12.956 2.712 -7.249 1.00 0.00 N ATOM 1581 CA GLU A 98 12.107 2.205 -8.318 1.00 0.00 C ATOM 1582 C GLU A 98 12.938 1.947 -9.564 1.00 0.00 C ATOM 1583 O GLU A 98 12.581 1.115 -10.395 1.00 0.00 O ATOM 1584 CB GLU A 98 10.979 3.192 -8.635 1.00 0.00 C ATOM 1585 CG GLU A 98 9.738 3.002 -7.776 1.00 0.00 C ATOM 1586 CD GLU A 98 8.784 4.177 -7.861 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.990 4.227 -8.824 1.00 0.00 O ATOM 1588 OE2 GLU A 98 8.831 5.046 -6.966 1.00 0.00 O ATOM 0 H GLU A 98 12.796 3.690 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 98 11.659 1.269 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.350 4.208 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.703 3.089 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.220 2.095 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.038 2.857 -6.738 1.00 0.00 H new ATOM 1595 N ILE A 99 14.062 2.647 -9.683 1.00 0.00 N ATOM 1596 CA ILE A 99 14.941 2.459 -10.822 1.00 0.00 C ATOM 1597 C ILE A 99 15.511 1.062 -10.787 1.00 0.00 C ATOM 1598 O ILE A 99 15.472 0.317 -11.766 1.00 0.00 O ATOM 1599 CB ILE A 99 16.119 3.449 -10.826 1.00 0.00 C ATOM 1600 CG1 ILE A 99 15.628 4.865 -10.584 1.00 0.00 C ATOM 1601 CG2 ILE A 99 16.882 3.356 -12.135 1.00 0.00 C ATOM 1602 CD1 ILE A 99 14.539 5.304 -11.541 1.00 0.00 C ATOM 0 H ILE A 99 14.380 3.343 -9.009 1.00 0.00 H new ATOM 0 HA ILE A 99 14.343 2.629 -11.718 1.00 0.00 H new ATOM 0 HB ILE A 99 16.798 3.185 -10.015 1.00 0.00 H new ATOM 0 HG12 ILE A 99 15.254 4.941 -9.563 1.00 0.00 H new ATOM 0 HG13 ILE A 99 16.471 5.551 -10.667 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.712 4.062 -12.123 1.00 0.00 H new ATOM 0 HG22 ILE A 99 17.268 2.344 -12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.215 3.595 -12.963 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.239 6.325 -11.307 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.914 5.261 -12.563 1.00 0.00 H new ATOM 0 HD13 ILE A 99 13.679 4.642 -11.442 1.00 0.00 H new ATOM 1614 N ALA A 100 16.039 0.729 -9.626 1.00 0.00 N ATOM 1615 CA ALA A 100 16.636 -0.576 -9.389 1.00 0.00 C ATOM 1616 C ALA A 100 15.611 -1.690 -9.453 1.00 0.00 C ATOM 1617 O ALA A 100 15.958 -2.871 -9.422 1.00 0.00 O ATOM 1618 CB ALA A 100 17.337 -0.587 -8.039 1.00 0.00 C ATOM 0 H ALA A 100 16.068 1.353 -8.819 1.00 0.00 H new ATOM 0 HA ALA A 100 17.363 -0.756 -10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 100 17.782 -1.567 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 100 18.118 0.173 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.614 -0.374 -7.252 1.00 0.00 H new ATOM 1624 N LYS A 101 14.354 -1.312 -9.509 1.00 0.00 N ATOM 1625 CA LYS A 101 13.281 -2.265 -9.537 1.00 0.00 C ATOM 1626 C LYS A 101 12.594 -2.328 -10.896 1.00 0.00 C ATOM 1627 O LYS A 101 12.394 -3.404 -11.459 1.00 0.00 O ATOM 1628 CB LYS A 101 12.303 -1.875 -8.462 1.00 0.00 C ATOM 1629 CG LYS A 101 12.948 -1.712 -7.098 1.00 0.00 C ATOM 1630 CD LYS A 101 13.200 -3.043 -6.415 1.00 0.00 C ATOM 1631 CE LYS A 101 11.905 -3.706 -5.988 1.00 0.00 C ATOM 1632 NZ LYS A 101 11.454 -4.731 -6.970 1.00 0.00 N ATOM 0 H LYS A 101 14.053 -0.338 -9.536 1.00 0.00 H new ATOM 0 HA LYS A 101 13.681 -3.263 -9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.819 -0.939 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.521 -2.632 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.892 -1.178 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.306 -1.098 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.741 -3.703 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.836 -2.890 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.041 -4.173 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.130 -2.948 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.442 -4.598 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.997 -4.630 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.607 -5.681 -6.575 1.00 0.00 H new ATOM 1646 N GLY A 102 12.226 -1.164 -11.403 1.00 0.00 N ATOM 1647 CA GLY A 102 11.550 -1.082 -12.685 1.00 0.00 C ATOM 1648 C GLY A 102 10.057 -1.340 -12.573 1.00 0.00 C ATOM 1649 O GLY A 102 9.473 -2.021 -13.417 1.00 0.00 O ATOM 0 H GLY A 102 12.384 -0.265 -10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.713 -0.094 -13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.990 -1.806 -13.371 1.00 0.00 H new ATOM 1653 N LEU A 103 9.437 -0.797 -11.526 1.00 0.00 N ATOM 1654 CA LEU A 103 8.006 -0.972 -11.301 1.00 0.00 C ATOM 1655 C LEU A 103 7.245 0.319 -11.562 1.00 0.00 C ATOM 1656 O LEU A 103 6.154 0.532 -11.033 1.00 0.00 O ATOM 1657 CB LEU A 103 7.759 -1.435 -9.873 1.00 0.00 C ATOM 1658 CG LEU A 103 8.014 -0.351 -8.841 1.00 0.00 C ATOM 1659 CD1 LEU A 103 7.193 -0.584 -7.583 1.00 0.00 C ATOM 1660 CD2 LEU A 103 9.492 -0.266 -8.522 1.00 0.00 C ATOM 0 H LEU A 103 9.907 -0.231 -10.819 1.00 0.00 H new ATOM 0 HA LEU A 103 7.644 -1.728 -11.998 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.729 -1.779 -9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.400 -2.290 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 103 7.699 0.603 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.397 0.209 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.132 -0.581 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.460 -1.547 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.660 0.515 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.834 -1.222 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.047 -0.030 -9.430 1.00 0.00 H new ATOM 1672 N MET A 104 7.833 1.173 -12.371 1.00 0.00 N ATOM 1673 CA MET A 104 7.227 2.457 -12.705 1.00 0.00 C ATOM 1674 C MET A 104 5.968 2.266 -13.546 1.00 0.00 C ATOM 1675 O MET A 104 6.019 2.300 -14.776 1.00 0.00 O ATOM 1676 CB MET A 104 8.226 3.338 -13.457 1.00 0.00 C ATOM 1677 CG MET A 104 8.085 4.819 -13.144 1.00 0.00 C ATOM 1678 SD MET A 104 8.668 5.239 -11.490 1.00 0.00 S ATOM 1679 CE MET A 104 7.297 6.221 -10.888 1.00 0.00 C ATOM 0 H MET A 104 8.736 1.006 -12.815 1.00 0.00 H new ATOM 0 HA MET A 104 6.948 2.949 -11.773 1.00 0.00 H new ATOM 0 HB2 MET A 104 9.238 3.018 -13.210 1.00 0.00 H new ATOM 0 HB3 MET A 104 8.096 3.187 -14.529 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.645 5.397 -13.880 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.039 5.109 -13.240 1.00 0.00 H new ATOM 0 HE1 MET A 104 7.508 6.556 -9.872 1.00 0.00 H new ATOM 0 HE2 MET A 104 7.159 7.088 -11.535 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.389 5.618 -10.890 1.00 0.00 H new ATOM 1689 N SER A 105 4.838 2.063 -12.872 1.00 0.00 N ATOM 1690 CA SER A 105 3.564 1.866 -13.554 1.00 0.00 C ATOM 1691 C SER A 105 2.390 2.044 -12.593 1.00 0.00 C ATOM 1692 O SER A 105 1.801 1.068 -12.130 1.00 0.00 O ATOM 1693 CB SER A 105 3.516 0.472 -14.181 1.00 0.00 C ATOM 1694 OG SER A 105 2.189 0.110 -14.520 1.00 0.00 O ATOM 0 H SER A 105 4.780 2.031 -11.854 1.00 0.00 H new ATOM 0 HA SER A 105 3.480 2.619 -14.338 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.141 0.450 -15.073 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.929 -0.258 -13.484 1.00 0.00 H new ATOM 0 HG SER A 105 1.639 0.085 -13.709 1.00 0.00 H new ATOM 1700 N VAL A 106 2.054 3.297 -12.300 1.00 0.00 N ATOM 1701 CA VAL A 106 0.949 3.603 -11.397 1.00 0.00 C ATOM 1702 C VAL A 106 0.341 4.968 -11.698 1.00 0.00 C ATOM 1703 O VAL A 106 0.101 5.760 -10.784 1.00 0.00 O ATOM 1704 CB VAL A 106 1.405 3.561 -9.922 1.00 0.00 C ATOM 1705 CG1 VAL A 106 2.468 4.616 -9.653 1.00 0.00 C ATOM 1706 CG2 VAL A 106 0.217 3.737 -8.988 1.00 0.00 C ATOM 0 H VAL A 106 2.531 4.117 -12.675 1.00 0.00 H new ATOM 0 HA VAL A 106 0.190 2.838 -11.558 1.00 0.00 H new ATOM 0 HB VAL A 106 1.846 2.583 -9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.773 4.567 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.332 4.433 -10.292 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.062 5.605 -9.866 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.559 3.704 -7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.259 4.698 -9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.501 2.935 -9.158 1.00 0.00 H new ATOM 1716 N PRO A 107 0.064 5.276 -12.980 1.00 0.00 N ATOM 1717 CA PRO A 107 -0.527 6.556 -13.345 1.00 0.00 C ATOM 1718 C PRO A 107 -2.046 6.525 -13.307 1.00 0.00 C ATOM 1719 O PRO A 107 -2.721 7.418 -13.818 1.00 0.00 O ATOM 1720 CB PRO A 107 -0.025 6.736 -14.765 1.00 0.00 C ATOM 1721 CG PRO A 107 -0.037 5.351 -15.316 1.00 0.00 C ATOM 1722 CD PRO A 107 0.295 4.430 -14.164 1.00 0.00 C ATOM 0 HA PRO A 107 -0.256 7.362 -12.663 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.671 7.402 -15.338 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.976 7.168 -14.785 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.013 5.109 -15.738 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.692 5.246 -16.119 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.343 3.546 -14.158 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.326 4.079 -14.213 1.00 0.00 H new ATOM 1730 N TYR A 108 -2.556 5.516 -12.638 1.00 0.00 N ATOM 1731 CA TYR A 108 -3.985 5.351 -12.435 1.00 0.00 C ATOM 1732 C TYR A 108 -4.306 5.589 -10.970 1.00 0.00 C ATOM 1733 O TYR A 108 -3.428 5.985 -10.213 1.00 0.00 O ATOM 1734 CB TYR A 108 -4.464 3.973 -12.875 1.00 0.00 C ATOM 1735 CG TYR A 108 -3.831 2.854 -12.108 1.00 0.00 C ATOM 1736 CD1 TYR A 108 -2.512 2.525 -12.324 1.00 0.00 C ATOM 1737 CD2 TYR A 108 -4.553 2.131 -11.178 1.00 0.00 C ATOM 1738 CE1 TYR A 108 -1.911 1.495 -11.630 1.00 0.00 C ATOM 1739 CE2 TYR A 108 -3.970 1.097 -10.473 1.00 0.00 C ATOM 1740 CZ TYR A 108 -2.645 0.781 -10.704 1.00 0.00 C ATOM 1741 OH TYR A 108 -2.054 -0.249 -10.007 1.00 0.00 O ATOM 0 H TYR A 108 -1.991 4.780 -12.215 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.511 6.080 -13.051 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.546 3.918 -12.758 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.251 3.843 -13.936 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.938 3.083 -13.049 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -5.589 2.378 -11.000 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.875 1.249 -11.810 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.544 0.540 -9.748 1.00 0.00 H new ATOM 0 HH TYR A 108 -2.708 -0.647 -9.395 1.00 0.00 H new ATOM 1751 N ILE A 109 -5.547 5.306 -10.575 1.00 0.00 N ATOM 1752 CA ILE A 109 -5.989 5.448 -9.184 1.00 0.00 C ATOM 1753 C ILE A 109 -7.503 5.588 -9.116 1.00 0.00 C ATOM 1754 O ILE A 109 -8.064 6.603 -9.531 1.00 0.00 O ATOM 1755 CB ILE A 109 -5.346 6.645 -8.446 1.00 0.00 C ATOM 1756 CG1 ILE A 109 -5.249 7.869 -9.363 1.00 0.00 C ATOM 1757 CG2 ILE A 109 -3.975 6.264 -7.891 1.00 0.00 C ATOM 1758 CD1 ILE A 109 -5.298 9.182 -8.615 1.00 0.00 C ATOM 0 H ILE A 109 -6.275 4.972 -11.207 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.661 4.539 -8.680 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.989 6.910 -7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.320 7.817 -9.930 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.065 7.839 -10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.540 7.120 -7.376 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -4.083 5.436 -7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.322 5.963 -8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.225 10.007 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.239 9.255 -8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.466 9.232 -7.912 1.00 0.00 H new ATOM 1770 N TYR A 110 -8.162 4.559 -8.592 1.00 0.00 N ATOM 1771 CA TYR A 110 -9.615 4.562 -8.474 1.00 0.00 C ATOM 1772 C TYR A 110 -10.048 4.992 -7.076 1.00 0.00 C ATOM 1773 O TYR A 110 -11.057 4.517 -6.552 1.00 0.00 O ATOM 1774 CB TYR A 110 -10.171 3.173 -8.800 1.00 0.00 C ATOM 1775 CG TYR A 110 -11.167 3.171 -9.938 1.00 0.00 C ATOM 1776 CD1 TYR A 110 -12.146 4.153 -10.031 1.00 0.00 C ATOM 1777 CD2 TYR A 110 -11.128 2.188 -10.919 1.00 0.00 C ATOM 1778 CE1 TYR A 110 -13.059 4.154 -11.069 1.00 0.00 C ATOM 1779 CE2 TYR A 110 -12.037 2.183 -11.960 1.00 0.00 C ATOM 1780 CZ TYR A 110 -13.000 3.167 -12.030 1.00 0.00 C ATOM 1781 OH TYR A 110 -13.907 3.165 -13.066 1.00 0.00 O ATOM 0 H TYR A 110 -7.712 3.713 -8.243 1.00 0.00 H new ATOM 0 HA TYR A 110 -10.016 5.281 -9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.344 2.509 -9.051 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -10.648 2.764 -7.910 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -12.194 4.928 -9.280 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -10.375 1.415 -10.867 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -13.814 4.924 -11.127 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -11.993 1.412 -12.715 1.00 0.00 H new ATOM 0 HH TYR A 110 -13.727 2.404 -13.657 1.00 0.00 H new ATOM 1791 N PHE A 111 -9.278 5.902 -6.486 1.00 0.00 N ATOM 1792 CA PHE A 111 -9.561 6.425 -5.147 1.00 0.00 C ATOM 1793 C PHE A 111 -10.074 5.335 -4.208 1.00 0.00 C ATOM 1794 O PHE A 111 -11.306 5.134 -4.154 1.00 0.00 O ATOM 1795 CB PHE A 111 -10.576 7.566 -5.228 1.00 0.00 C ATOM 1796 CG PHE A 111 -9.999 8.845 -5.767 1.00 0.00 C ATOM 1797 CD1 PHE A 111 -8.748 9.281 -5.362 1.00 0.00 C ATOM 1798 CD2 PHE A 111 -10.707 9.610 -6.680 1.00 0.00 C ATOM 1799 CE1 PHE A 111 -8.212 10.455 -5.857 1.00 0.00 C ATOM 1800 CE2 PHE A 111 -10.177 10.786 -7.178 1.00 0.00 C ATOM 1801 CZ PHE A 111 -8.929 11.208 -6.766 1.00 0.00 C ATOM 1802 OXT PHE A 111 -9.240 4.695 -3.534 1.00 0.00 O ATOM 0 H PHE A 111 -8.443 6.298 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.624 6.802 -4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -11.408 7.257 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -10.983 7.751 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.184 8.696 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -11.684 9.284 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.235 10.783 -5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.739 11.374 -7.889 1.00 0.00 H new ATOM 0 HZ PHE A 111 -8.514 12.126 -7.154 1.00 0.00 H new TER 1812 PHE A 111