USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 665 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 77 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.15) USER MOD Set 1.2: A 81 MET CE :methyl -131:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.569 USER MOD Set 2.2: A 70 THR OG1 : rot -157:sc= -0.929! USER MOD Set 3.1: A 59 SER OG : rot 30:sc= -2.08! USER MOD Set 3.2: A 66 SER OG : rot 180:sc= -2.22! USER MOD Set 4.1: A 8 GLN : amide:sc= -1.46 K(o=-1.6,f=-0.6) USER MOD Set 4.2: A 20 MET CE :methyl -130:sc= -0.129 (180deg=-0.675) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -48:sc= 0.78 USER MOD Single : A 19 SER OG : rot -165:sc= 0.976 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -107:sc= -0.778 (180deg=-3.07!) USER MOD Single : A 41 GLN : amide:sc= -0.276 K(o=-0.28,f=-0.93) USER MOD Single : A 43 ASN : amide:sc= -0.0316 K(o=-0.032,f=-3.8!) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.0561 (180deg=-0.466) USER MOD Single : A 46 GLN : amide:sc= 0.425 K(o=0.43,f=-2.3!) USER MOD Single : A 47 GLN : amide:sc= -0.692 K(o=-0.69,f=0) USER MOD Single : A 49 SER OG : rot -84:sc= 0.844 USER MOD Single : A 51 CYS SG : rot -60:sc= -2.81 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0707) USER MOD Single : A 54 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.17) USER MOD Single : A 56 SER OG : rot 180:sc= 0.425 USER MOD Single : A 68 SER OG : rot -43:sc= 1.19 USER MOD Single : A 75 SER OG : rot -78:sc= 0.606 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 138:sc= 1.33 (180deg=0.121) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 15.835 2.379 6.970 1.00 0.00 N ATOM 2 CA ILE A 5 16.382 2.692 5.660 1.00 0.00 C ATOM 3 C ILE A 5 15.343 3.429 4.824 1.00 0.00 C ATOM 4 O ILE A 5 14.146 3.318 5.075 1.00 0.00 O ATOM 5 CB ILE A 5 16.829 1.399 4.932 1.00 0.00 C ATOM 6 CG1 ILE A 5 17.539 1.733 3.615 1.00 0.00 C ATOM 7 CG2 ILE A 5 15.634 0.488 4.685 1.00 0.00 C ATOM 8 CD1 ILE A 5 18.063 0.524 2.874 1.00 0.00 C ATOM 0 HA ILE A 5 17.254 3.333 5.793 1.00 0.00 H new ATOM 0 HB ILE A 5 17.537 0.872 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 5 16.847 2.271 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 5 18.370 2.407 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.965 -0.416 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 5 15.179 0.219 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.902 1.008 4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.551 0.845 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 5 18.781 -0.004 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.235 -0.142 2.632 1.00 0.00 H new ATOM 20 N SER A 6 15.803 4.207 3.862 1.00 0.00 N ATOM 21 CA SER A 6 14.911 4.872 2.936 1.00 0.00 C ATOM 22 C SER A 6 14.877 4.104 1.620 1.00 0.00 C ATOM 23 O SER A 6 15.903 3.578 1.184 1.00 0.00 O ATOM 24 CB SER A 6 15.370 6.313 2.711 1.00 0.00 C ATOM 25 OG SER A 6 15.495 6.995 3.947 1.00 0.00 O ATOM 0 H SER A 6 16.793 4.393 3.703 1.00 0.00 H new ATOM 0 HA SER A 6 13.904 4.895 3.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.326 6.318 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.655 6.833 2.073 1.00 0.00 H new ATOM 0 HG SER A 6 15.791 7.915 3.785 1.00 0.00 H new ATOM 31 N SER A 7 13.694 4.019 1.021 1.00 0.00 N ATOM 32 CA SER A 7 13.506 3.345 -0.260 1.00 0.00 C ATOM 33 C SER A 7 13.654 1.827 -0.123 1.00 0.00 C ATOM 34 O SER A 7 13.571 1.279 0.979 1.00 0.00 O ATOM 35 CB SER A 7 14.480 3.900 -1.307 1.00 0.00 C ATOM 36 OG SER A 7 14.360 5.311 -1.414 1.00 0.00 O ATOM 0 H SER A 7 12.838 4.415 1.409 1.00 0.00 H new ATOM 0 HA SER A 7 12.488 3.543 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.502 3.638 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.281 3.440 -2.275 1.00 0.00 H new ATOM 0 HG SER A 7 14.991 5.643 -2.086 1.00 0.00 H new ATOM 42 N GLN A 8 13.837 1.161 -1.253 1.00 0.00 N ATOM 43 CA GLN A 8 13.928 -0.294 -1.314 1.00 0.00 C ATOM 44 C GLN A 8 15.040 -0.859 -0.423 1.00 0.00 C ATOM 45 O GLN A 8 16.216 -0.529 -0.578 1.00 0.00 O ATOM 46 CB GLN A 8 14.162 -0.734 -2.762 1.00 0.00 C ATOM 47 CG GLN A 8 14.070 -2.237 -2.972 1.00 0.00 C ATOM 48 CD GLN A 8 12.664 -2.767 -2.767 1.00 0.00 C ATOM 49 OE1 GLN A 8 11.878 -2.867 -3.706 1.00 0.00 O ATOM 50 NE2 GLN A 8 12.339 -3.111 -1.535 1.00 0.00 N ATOM 0 H GLN A 8 13.927 1.616 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 8 12.983 -0.689 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.431 -0.242 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.147 -0.392 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.403 -2.481 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.748 -2.739 -2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.020 -3.013 -0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.407 -3.475 -1.336 1.00 0.00 H new ATOM 59 N LEU A 9 14.639 -1.697 0.520 1.00 0.00 N ATOM 60 CA LEU A 9 15.560 -2.517 1.295 1.00 0.00 C ATOM 61 C LEU A 9 15.565 -3.925 0.720 1.00 0.00 C ATOM 62 O LEU A 9 14.630 -4.683 0.950 1.00 0.00 O ATOM 63 CB LEU A 9 15.116 -2.580 2.764 1.00 0.00 C ATOM 64 CG LEU A 9 16.031 -3.374 3.700 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.391 -2.706 3.831 1.00 0.00 C ATOM 66 CD2 LEU A 9 15.381 -3.536 5.064 1.00 0.00 C ATOM 0 H LEU A 9 13.659 -1.829 0.772 1.00 0.00 H new ATOM 0 HA LEU A 9 16.557 -2.079 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.034 -1.562 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.118 -3.017 2.805 1.00 0.00 H new ATOM 0 HG LEU A 9 16.183 -4.363 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.021 -3.291 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.863 -2.646 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.266 -1.702 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.044 -4.103 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.196 -2.553 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.436 -4.068 4.956 1.00 0.00 H new ATOM 78 N GLY A 10 16.590 -4.273 -0.040 1.00 0.00 N ATOM 79 CA GLY A 10 16.647 -5.611 -0.606 1.00 0.00 C ATOM 80 C GLY A 10 17.995 -6.294 -0.431 1.00 0.00 C ATOM 81 O GLY A 10 18.605 -6.697 -1.421 1.00 0.00 O ATOM 0 H GLY A 10 17.375 -3.666 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.876 -6.225 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.413 -5.556 -1.669 1.00 0.00 H new ATOM 85 N PRO A 11 18.492 -6.453 0.812 1.00 0.00 N ATOM 86 CA PRO A 11 19.743 -7.161 1.072 1.00 0.00 C ATOM 87 C PRO A 11 19.547 -8.671 1.022 1.00 0.00 C ATOM 88 O PRO A 11 20.323 -9.391 0.395 1.00 0.00 O ATOM 89 CB PRO A 11 20.139 -6.718 2.493 1.00 0.00 C ATOM 90 CG PRO A 11 19.112 -5.715 2.914 1.00 0.00 C ATOM 91 CD PRO A 11 17.902 -5.960 2.058 1.00 0.00 C ATOM 0 HA PRO A 11 20.505 -6.932 0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.157 -7.568 3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.137 -6.281 2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.869 -5.828 3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.484 -4.699 2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.229 -6.691 2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.324 -5.049 1.901 1.00 0.00 H new ATOM 99 N ILE A 12 18.492 -9.140 1.677 1.00 0.00 N ATOM 100 CA ILE A 12 18.182 -10.558 1.705 1.00 0.00 C ATOM 101 C ILE A 12 17.432 -10.974 0.445 1.00 0.00 C ATOM 102 O ILE A 12 16.674 -10.193 -0.135 1.00 0.00 O ATOM 103 CB ILE A 12 17.372 -10.974 2.962 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.077 -10.156 3.119 1.00 0.00 C ATOM 105 CG2 ILE A 12 18.235 -10.857 4.209 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.266 -8.759 3.686 1.00 0.00 C ATOM 0 H ILE A 12 17.837 -8.555 2.196 1.00 0.00 H new ATOM 0 HA ILE A 12 19.139 -11.079 1.748 1.00 0.00 H new ATOM 0 HB ILE A 12 17.077 -12.015 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.596 -10.074 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.394 -10.706 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 12 17.654 -11.152 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 12 19.103 -11.509 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.568 -9.826 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.299 -8.262 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 12 16.715 -8.826 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.920 -8.185 3.029 1.00 0.00 H new ATOM 118 N HIS A 13 17.666 -12.208 0.027 1.00 0.00 N ATOM 119 CA HIS A 13 17.147 -12.723 -1.236 1.00 0.00 C ATOM 120 C HIS A 13 15.768 -13.423 -1.157 1.00 0.00 C ATOM 121 O HIS A 13 15.137 -13.576 -2.202 1.00 0.00 O ATOM 122 CB HIS A 13 18.168 -13.674 -1.862 1.00 0.00 C ATOM 123 CG HIS A 13 19.383 -12.981 -2.395 1.00 0.00 C ATOM 124 ND1 HIS A 13 20.602 -12.980 -1.752 1.00 0.00 N ATOM 125 CD2 HIS A 13 19.559 -12.261 -3.528 1.00 0.00 C ATOM 126 CE1 HIS A 13 21.473 -12.293 -2.466 1.00 0.00 C ATOM 127 NE2 HIS A 13 20.865 -11.845 -3.548 1.00 0.00 N ATOM 0 H HIS A 13 18.221 -12.883 0.552 1.00 0.00 H new ATOM 0 HA HIS A 13 16.985 -11.841 -1.856 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.476 -14.406 -1.115 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.690 -14.226 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 13 18.809 -12.053 -4.277 1.00 0.00 H new ATOM 0 HE1 HIS A 13 22.508 -12.126 -2.209 1.00 0.00 H new ATOM 0 HE2 HIS A 13 21.297 -11.281 -4.280 1.00 0.00 H new ATOM 136 N PRO A 14 15.264 -13.892 0.027 1.00 0.00 N ATOM 137 CA PRO A 14 13.966 -14.587 0.111 1.00 0.00 C ATOM 138 C PRO A 14 12.809 -13.795 -0.504 1.00 0.00 C ATOM 139 O PRO A 14 12.937 -12.596 -0.762 1.00 0.00 O ATOM 140 CB PRO A 14 13.745 -14.764 1.624 1.00 0.00 C ATOM 141 CG PRO A 14 14.681 -13.809 2.252 1.00 0.00 C ATOM 142 CD PRO A 14 15.875 -13.833 1.359 1.00 0.00 C ATOM 0 HA PRO A 14 13.986 -15.521 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.713 -14.548 1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.953 -15.787 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.250 -12.810 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.936 -14.110 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.495 -12.945 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.512 -14.696 1.554 1.00 0.00 H new ATOM 150 N PRO A 15 11.668 -14.466 -0.756 1.00 0.00 N ATOM 151 CA PRO A 15 10.461 -13.826 -1.292 1.00 0.00 C ATOM 152 C PRO A 15 10.109 -12.523 -0.568 1.00 0.00 C ATOM 153 O PRO A 15 10.372 -12.373 0.628 1.00 0.00 O ATOM 154 CB PRO A 15 9.379 -14.878 -1.052 1.00 0.00 C ATOM 155 CG PRO A 15 10.102 -16.175 -1.122 1.00 0.00 C ATOM 156 CD PRO A 15 11.476 -15.917 -0.564 1.00 0.00 C ATOM 0 HA PRO A 15 10.582 -13.539 -2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.901 -14.742 -0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.594 -14.820 -1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.585 -16.941 -0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.160 -16.534 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.538 -16.193 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.236 -16.494 -1.090 1.00 0.00 H new ATOM 164 N PRO A 16 9.492 -11.573 -1.297 1.00 0.00 N ATOM 165 CA PRO A 16 9.158 -10.221 -0.802 1.00 0.00 C ATOM 166 C PRO A 16 8.122 -10.197 0.320 1.00 0.00 C ATOM 167 O PRO A 16 7.405 -9.212 0.482 1.00 0.00 O ATOM 168 CB PRO A 16 8.574 -9.528 -2.035 1.00 0.00 C ATOM 169 CG PRO A 16 8.092 -10.640 -2.889 1.00 0.00 C ATOM 170 CD PRO A 16 9.085 -11.743 -2.698 1.00 0.00 C ATOM 0 HA PRO A 16 10.041 -9.749 -0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.761 -8.854 -1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.327 -8.930 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.091 -10.956 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.036 -10.337 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.641 -12.723 -2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.931 -11.649 -3.379 1.00 0.00 H new ATOM 178 N ARG A 17 8.046 -11.272 1.080 1.00 0.00 N ATOM 179 CA ARG A 17 7.161 -11.341 2.230 1.00 0.00 C ATOM 180 C ARG A 17 7.815 -10.676 3.430 1.00 0.00 C ATOM 181 O ARG A 17 7.143 -10.265 4.374 1.00 0.00 O ATOM 182 CB ARG A 17 6.831 -12.797 2.560 1.00 0.00 C ATOM 183 CG ARG A 17 8.063 -13.675 2.705 1.00 0.00 C ATOM 184 CD ARG A 17 7.718 -15.058 3.227 1.00 0.00 C ATOM 185 NE ARG A 17 6.791 -15.769 2.352 1.00 0.00 N ATOM 186 CZ ARG A 17 6.105 -16.850 2.720 1.00 0.00 C ATOM 187 NH1 ARG A 17 6.180 -17.292 3.971 1.00 0.00 N ATOM 188 NH2 ARG A 17 5.326 -17.471 1.846 1.00 0.00 N ATOM 0 H ARG A 17 8.592 -12.119 0.920 1.00 0.00 H new ATOM 0 HA ARG A 17 6.236 -10.816 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.258 -12.831 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.193 -13.204 1.776 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.559 -13.766 1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.770 -13.198 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.632 -15.641 3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.279 -14.969 4.221 1.00 0.00 H new ATOM 0 HE ARG A 17 6.661 -15.418 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.763 -16.803 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.654 -18.120 4.252 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.251 -17.121 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.801 -18.299 2.129 1.00 0.00 H new ATOM 202 N THR A 18 9.138 -10.565 3.374 1.00 0.00 N ATOM 203 CA THR A 18 9.907 -10.030 4.486 1.00 0.00 C ATOM 204 C THR A 18 11.353 -9.753 4.054 1.00 0.00 C ATOM 205 O THR A 18 12.298 -9.894 4.830 1.00 0.00 O ATOM 206 CB THR A 18 9.860 -11.021 5.673 1.00 0.00 C ATOM 207 OG1 THR A 18 10.595 -10.524 6.801 1.00 0.00 O ATOM 208 CG2 THR A 18 10.398 -12.389 5.260 1.00 0.00 C ATOM 0 H THR A 18 9.699 -10.840 2.567 1.00 0.00 H new ATOM 0 HA THR A 18 9.469 -9.084 4.805 1.00 0.00 H new ATOM 0 HB THR A 18 8.816 -11.127 5.967 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.474 -10.208 6.505 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.355 -13.069 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.792 -12.788 4.446 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.431 -12.288 4.928 1.00 0.00 H new ATOM 216 N SER A 19 11.519 -9.350 2.802 1.00 0.00 N ATOM 217 CA SER A 19 12.845 -9.076 2.269 1.00 0.00 C ATOM 218 C SER A 19 12.921 -7.683 1.670 1.00 0.00 C ATOM 219 O SER A 19 13.407 -6.752 2.310 1.00 0.00 O ATOM 220 CB SER A 19 13.219 -10.126 1.224 1.00 0.00 C ATOM 221 OG SER A 19 12.212 -10.235 0.230 1.00 0.00 O ATOM 0 H SER A 19 10.756 -9.206 2.140 1.00 0.00 H new ATOM 0 HA SER A 19 13.558 -9.125 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.168 -9.859 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.363 -11.092 1.709 1.00 0.00 H new ATOM 0 HG SER A 19 12.343 -11.062 -0.280 1.00 0.00 H new ATOM 227 N MET A 20 12.436 -7.547 0.446 1.00 0.00 N ATOM 228 CA MET A 20 12.441 -6.268 -0.239 1.00 0.00 C ATOM 229 C MET A 20 11.371 -5.344 0.327 1.00 0.00 C ATOM 230 O MET A 20 10.294 -5.178 -0.251 1.00 0.00 O ATOM 231 CB MET A 20 12.254 -6.445 -1.749 1.00 0.00 C ATOM 232 CG MET A 20 11.120 -7.383 -2.124 1.00 0.00 C ATOM 233 SD MET A 20 10.682 -7.290 -3.871 1.00 0.00 S ATOM 234 CE MET A 20 9.988 -5.639 -3.952 1.00 0.00 C ATOM 0 H MET A 20 12.032 -8.312 -0.094 1.00 0.00 H new ATOM 0 HA MET A 20 13.415 -5.809 -0.072 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.069 -5.470 -2.199 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.182 -6.823 -2.178 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.406 -8.406 -1.880 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.243 -7.145 -1.522 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.019 -5.676 -4.451 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.862 -5.247 -2.943 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.660 -4.989 -4.512 1.00 0.00 H new ATOM 244 N THR A 21 11.679 -4.745 1.462 1.00 0.00 N ATOM 245 CA THR A 21 10.805 -3.766 2.071 1.00 0.00 C ATOM 246 C THR A 21 10.970 -2.425 1.378 1.00 0.00 C ATOM 247 O THR A 21 12.054 -1.856 1.366 1.00 0.00 O ATOM 248 CB THR A 21 11.106 -3.613 3.576 1.00 0.00 C ATOM 249 OG1 THR A 21 10.885 -4.864 4.239 1.00 0.00 O ATOM 250 CG2 THR A 21 10.232 -2.540 4.209 1.00 0.00 C ATOM 0 H THR A 21 12.537 -4.923 1.983 1.00 0.00 H new ATOM 0 HA THR A 21 9.777 -4.112 1.960 1.00 0.00 H new ATOM 0 HB THR A 21 12.148 -3.312 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.078 -4.766 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.469 -2.457 5.270 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.418 -1.584 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.182 -2.810 4.092 1.00 0.00 H new ATOM 258 N GLU A 22 9.898 -1.931 0.790 1.00 0.00 N ATOM 259 CA GLU A 22 9.950 -0.666 0.086 1.00 0.00 C ATOM 260 C GLU A 22 9.553 0.442 1.039 1.00 0.00 C ATOM 261 O GLU A 22 8.439 0.439 1.555 1.00 0.00 O ATOM 262 CB GLU A 22 8.984 -0.691 -1.101 1.00 0.00 C ATOM 263 CG GLU A 22 9.060 0.535 -1.998 1.00 0.00 C ATOM 264 CD GLU A 22 10.212 0.465 -2.978 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.113 -0.311 -3.956 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.212 1.180 -2.778 1.00 0.00 O ATOM 0 H GLU A 22 8.984 -2.384 0.786 1.00 0.00 H new ATOM 0 HA GLU A 22 10.961 -0.494 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.187 -1.578 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.966 -0.788 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.125 0.637 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.166 1.427 -1.381 1.00 0.00 H new ATOM 273 N GLU A 23 10.460 1.371 1.290 1.00 0.00 N ATOM 274 CA GLU A 23 10.153 2.485 2.169 1.00 0.00 C ATOM 275 C GLU A 23 9.829 3.704 1.322 1.00 0.00 C ATOM 276 O GLU A 23 10.726 4.346 0.766 1.00 0.00 O ATOM 277 CB GLU A 23 11.331 2.779 3.103 1.00 0.00 C ATOM 278 CG GLU A 23 10.980 3.716 4.246 1.00 0.00 C ATOM 279 CD GLU A 23 10.044 3.081 5.258 1.00 0.00 C ATOM 280 OE1 GLU A 23 8.828 3.006 4.991 1.00 0.00 O ATOM 281 OE2 GLU A 23 10.520 2.662 6.333 1.00 0.00 O ATOM 0 H GLU A 23 11.404 1.377 0.903 1.00 0.00 H new ATOM 0 HA GLU A 23 9.293 2.231 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.701 1.840 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.144 3.215 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.895 4.027 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.516 4.616 3.843 1.00 0.00 H new ATOM 288 N TYR A 24 8.551 4.017 1.219 1.00 0.00 N ATOM 289 CA TYR A 24 8.108 5.053 0.312 1.00 0.00 C ATOM 290 C TYR A 24 8.007 6.405 1.001 1.00 0.00 C ATOM 291 O TYR A 24 7.321 6.556 2.013 1.00 0.00 O ATOM 292 CB TYR A 24 6.768 4.677 -0.324 1.00 0.00 C ATOM 293 CG TYR A 24 6.832 4.689 -1.831 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.750 5.882 -2.530 1.00 0.00 C ATOM 295 CD2 TYR A 24 7.004 3.515 -2.552 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.837 5.909 -3.904 1.00 0.00 C ATOM 297 CE2 TYR A 24 7.087 3.532 -3.931 1.00 0.00 C ATOM 298 CZ TYR A 24 7.004 4.734 -4.602 1.00 0.00 C ATOM 299 OH TYR A 24 7.107 4.765 -5.973 1.00 0.00 O ATOM 0 H TYR A 24 7.805 3.569 1.751 1.00 0.00 H new ATOM 0 HA TYR A 24 8.859 5.139 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.470 3.686 0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.000 5.374 0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.616 6.807 -1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.074 2.574 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.774 6.849 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.216 2.611 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 24 7.222 3.853 -6.313 1.00 0.00 H new ATOM 309 N ARG A 25 8.718 7.376 0.444 1.00 0.00 N ATOM 310 CA ARG A 25 8.650 8.749 0.915 1.00 0.00 C ATOM 311 C ARG A 25 7.433 9.438 0.327 1.00 0.00 C ATOM 312 O ARG A 25 7.379 9.705 -0.876 1.00 0.00 O ATOM 313 CB ARG A 25 9.901 9.529 0.521 1.00 0.00 C ATOM 314 CG ARG A 25 11.177 9.041 1.181 1.00 0.00 C ATOM 315 CD ARG A 25 12.319 10.003 0.912 1.00 0.00 C ATOM 316 NE ARG A 25 11.991 11.358 1.356 1.00 0.00 N ATOM 317 CZ ARG A 25 12.817 12.394 1.278 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.007 12.264 0.703 1.00 0.00 N ATOM 319 NH2 ARG A 25 12.426 13.569 1.747 1.00 0.00 N ATOM 0 H ARG A 25 9.353 7.234 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 25 8.578 8.726 2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.022 9.475 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.754 10.579 0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.022 8.943 2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.432 8.051 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.216 9.657 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.545 10.013 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 25 11.065 11.517 1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.292 11.364 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.636 13.065 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.500 13.670 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.051 14.373 1.693 1.00 0.00 H new ATOM 333 N VAL A 26 6.463 9.718 1.172 1.00 0.00 N ATOM 334 CA VAL A 26 5.233 10.337 0.727 1.00 0.00 C ATOM 335 C VAL A 26 4.844 11.507 1.627 1.00 0.00 C ATOM 336 O VAL A 26 4.763 11.369 2.851 1.00 0.00 O ATOM 337 CB VAL A 26 4.091 9.300 0.661 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.131 8.374 1.859 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.736 9.979 0.570 1.00 0.00 C ATOM 0 H VAL A 26 6.503 9.526 2.173 1.00 0.00 H new ATOM 0 HA VAL A 26 5.403 10.728 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 26 4.238 8.708 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.317 7.653 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.084 7.845 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.022 8.957 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.952 9.223 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.584 10.607 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.697 10.595 -0.328 1.00 0.00 H new ATOM 349 N PRO A 27 4.605 12.681 1.013 1.00 0.00 N ATOM 350 CA PRO A 27 4.186 13.890 1.726 1.00 0.00 C ATOM 351 C PRO A 27 2.940 13.628 2.561 1.00 0.00 C ATOM 352 O PRO A 27 1.995 12.987 2.101 1.00 0.00 O ATOM 353 CB PRO A 27 3.884 14.885 0.601 1.00 0.00 C ATOM 354 CG PRO A 27 4.674 14.401 -0.562 1.00 0.00 C ATOM 355 CD PRO A 27 4.716 12.907 -0.437 1.00 0.00 C ATOM 0 HA PRO A 27 4.942 14.251 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.819 14.910 0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.174 15.898 0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.210 14.701 -1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.679 14.822 -0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.897 12.435 -0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.643 12.496 -0.838 1.00 0.00 H new ATOM 363 N ASP A 28 2.947 14.140 3.786 1.00 0.00 N ATOM 364 CA ASP A 28 1.939 13.785 4.781 1.00 0.00 C ATOM 365 C ASP A 28 0.523 14.172 4.340 1.00 0.00 C ATOM 366 O ASP A 28 -0.446 13.503 4.704 1.00 0.00 O ATOM 367 CB ASP A 28 2.285 14.408 6.144 1.00 0.00 C ATOM 368 CG ASP A 28 2.086 15.911 6.199 1.00 0.00 C ATOM 369 OD1 ASP A 28 3.029 16.656 5.856 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.996 16.359 6.617 1.00 0.00 O ATOM 0 H ASP A 28 3.644 14.807 4.117 1.00 0.00 H new ATOM 0 HA ASP A 28 1.949 12.700 4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.670 13.941 6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.323 14.179 6.384 1.00 0.00 H new ATOM 375 N GLY A 29 0.404 15.225 3.538 1.00 0.00 N ATOM 376 CA GLY A 29 -0.893 15.606 2.998 1.00 0.00 C ATOM 377 C GLY A 29 -1.305 14.708 1.847 1.00 0.00 C ATOM 378 O GLY A 29 -2.495 14.448 1.621 1.00 0.00 O ATOM 0 H GLY A 29 1.180 15.822 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.645 15.556 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.856 16.641 2.658 1.00 0.00 H new ATOM 382 N MET A 30 -0.311 14.188 1.144 1.00 0.00 N ATOM 383 CA MET A 30 -0.555 13.291 0.027 1.00 0.00 C ATOM 384 C MET A 30 -0.901 11.916 0.581 1.00 0.00 C ATOM 385 O MET A 30 -1.523 11.094 -0.087 1.00 0.00 O ATOM 386 CB MET A 30 0.681 13.227 -0.880 1.00 0.00 C ATOM 387 CG MET A 30 0.419 12.641 -2.262 1.00 0.00 C ATOM 388 SD MET A 30 -0.879 13.516 -3.157 1.00 0.00 S ATOM 389 CE MET A 30 -0.247 15.194 -3.133 1.00 0.00 C ATOM 0 H MET A 30 0.675 14.373 1.329 1.00 0.00 H new ATOM 0 HA MET A 30 -1.386 13.656 -0.576 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.084 14.233 -0.996 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.449 12.631 -0.386 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.340 12.671 -2.845 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.140 11.592 -2.160 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.832 15.793 -2.435 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.796 15.185 -2.818 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.321 15.625 -4.131 1.00 0.00 H new ATOM 399 N VAL A 31 -0.505 11.691 1.830 1.00 0.00 N ATOM 400 CA VAL A 31 -0.945 10.526 2.580 1.00 0.00 C ATOM 401 C VAL A 31 -2.423 10.660 2.897 1.00 0.00 C ATOM 402 O VAL A 31 -3.176 9.692 2.829 1.00 0.00 O ATOM 403 CB VAL A 31 -0.153 10.361 3.888 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.635 9.152 4.676 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.320 10.238 3.582 1.00 0.00 C ATOM 0 H VAL A 31 0.124 12.307 2.345 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.769 9.643 1.966 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.319 11.245 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.056 9.062 5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.690 9.275 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.505 8.251 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.876 10.121 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.488 9.368 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.661 11.136 3.066 1.00 0.00 H new ATOM 415 N GLY A 32 -2.839 11.876 3.226 1.00 0.00 N ATOM 416 CA GLY A 32 -4.251 12.149 3.391 1.00 0.00 C ATOM 417 C GLY A 32 -5.040 11.795 2.142 1.00 0.00 C ATOM 418 O GLY A 32 -6.221 11.458 2.215 1.00 0.00 O ATOM 0 H GLY A 32 -2.225 12.675 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.635 11.580 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.393 13.204 3.625 1.00 0.00 H new ATOM 422 N LEU A 33 -4.385 11.874 0.989 1.00 0.00 N ATOM 423 CA LEU A 33 -5.017 11.487 -0.271 1.00 0.00 C ATOM 424 C LEU A 33 -4.896 9.983 -0.557 1.00 0.00 C ATOM 425 O LEU A 33 -5.775 9.408 -1.200 1.00 0.00 O ATOM 426 CB LEU A 33 -4.432 12.286 -1.433 1.00 0.00 C ATOM 427 CG LEU A 33 -4.695 13.792 -1.381 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.093 14.473 -2.594 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.188 14.076 -1.298 1.00 0.00 C ATOM 0 H LEU A 33 -3.423 12.200 0.899 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.078 11.714 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.355 12.122 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.839 11.894 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.222 14.193 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.288 15.544 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.017 14.300 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.541 14.065 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.352 15.153 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.686 13.662 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.596 13.617 -0.398 1.00 0.00 H new ATOM 441 N ILE A 34 -3.825 9.339 -0.082 1.00 0.00 N ATOM 442 CA ILE A 34 -3.639 7.905 -0.337 1.00 0.00 C ATOM 443 C ILE A 34 -4.633 7.096 0.489 1.00 0.00 C ATOM 444 O ILE A 34 -5.066 6.016 0.089 1.00 0.00 O ATOM 445 CB ILE A 34 -2.186 7.417 -0.051 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.985 5.991 -0.572 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.851 7.469 1.432 1.00 0.00 C ATOM 448 CD1 ILE A 34 -2.117 5.876 -2.073 1.00 0.00 C ATOM 0 H ILE A 34 -3.087 9.776 0.470 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.820 7.748 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.512 8.095 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.998 5.639 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.714 5.333 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.830 7.121 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.943 8.494 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.540 6.829 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.963 4.840 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.113 6.197 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.370 6.508 -2.553 1.00 0.00 H new ATOM 460 N ILE A 35 -5.005 7.641 1.636 1.00 0.00 N ATOM 461 CA ILE A 35 -6.028 7.037 2.468 1.00 0.00 C ATOM 462 C ILE A 35 -7.417 7.382 1.942 1.00 0.00 C ATOM 463 O ILE A 35 -8.416 6.807 2.383 1.00 0.00 O ATOM 464 CB ILE A 35 -5.906 7.456 3.944 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.824 8.978 4.082 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.703 6.784 4.575 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.722 9.457 5.516 1.00 0.00 C ATOM 0 H ILE A 35 -4.611 8.504 2.011 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.879 5.958 2.420 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.802 7.131 4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.958 9.338 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.706 9.423 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.624 7.086 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.819 5.702 4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.800 7.081 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.668 10.546 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.600 9.129 6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.825 9.042 5.975 1.00 0.00 H new ATOM 479 N GLY A 36 -7.462 8.357 1.034 1.00 0.00 N ATOM 480 CA GLY A 36 -8.685 8.704 0.330 1.00 0.00 C ATOM 481 C GLY A 36 -9.777 9.219 1.239 1.00 0.00 C ATOM 482 O GLY A 36 -9.799 10.396 1.591 1.00 0.00 O ATOM 0 H GLY A 36 -6.655 8.922 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.460 9.462 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.050 7.826 -0.203 1.00 0.00 H new ATOM 486 N ARG A 37 -10.681 8.322 1.613 1.00 0.00 N ATOM 487 CA ARG A 37 -11.787 8.647 2.504 1.00 0.00 C ATOM 488 C ARG A 37 -11.275 9.145 3.852 1.00 0.00 C ATOM 489 O ARG A 37 -11.967 9.873 4.564 1.00 0.00 O ATOM 490 CB ARG A 37 -12.658 7.408 2.711 1.00 0.00 C ATOM 491 CG ARG A 37 -11.937 6.267 3.412 1.00 0.00 C ATOM 492 CD ARG A 37 -12.816 5.035 3.524 1.00 0.00 C ATOM 493 NE ARG A 37 -13.202 4.502 2.223 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.078 3.510 2.064 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.682 2.973 3.116 1.00 0.00 N ATOM 496 NH2 ARG A 37 -14.356 3.063 0.849 1.00 0.00 N ATOM 0 H ARG A 37 -10.668 7.349 1.307 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.377 9.441 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.536 7.685 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.016 7.060 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.029 6.018 2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.630 6.587 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.287 4.265 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.713 5.283 4.091 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.779 4.910 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.477 3.319 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.351 2.214 2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.900 3.478 0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.026 2.304 0.726 1.00 0.00 H new ATOM 510 N GLY A 38 -10.060 8.740 4.194 1.00 0.00 N ATOM 511 CA GLY A 38 -9.473 9.139 5.451 1.00 0.00 C ATOM 512 C GLY A 38 -8.915 7.963 6.230 1.00 0.00 C ATOM 513 O GLY A 38 -8.920 7.970 7.462 1.00 0.00 O ATOM 0 H GLY A 38 -9.470 8.139 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.676 9.858 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.225 9.647 6.055 1.00 0.00 H new ATOM 517 N GLY A 39 -8.452 6.942 5.517 1.00 0.00 N ATOM 518 CA GLY A 39 -7.778 5.835 6.169 1.00 0.00 C ATOM 519 C GLY A 39 -7.994 4.506 5.471 1.00 0.00 C ATOM 520 O GLY A 39 -7.048 3.891 4.982 1.00 0.00 O ATOM 0 H GLY A 39 -8.531 6.861 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.709 6.045 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.131 5.759 7.198 1.00 0.00 H new ATOM 524 N GLU A 40 -9.247 4.092 5.390 1.00 0.00 N ATOM 525 CA GLU A 40 -9.608 2.736 4.975 1.00 0.00 C ATOM 526 C GLU A 40 -9.148 2.378 3.561 1.00 0.00 C ATOM 527 O GLU A 40 -9.027 1.198 3.246 1.00 0.00 O ATOM 528 CB GLU A 40 -11.121 2.534 5.076 1.00 0.00 C ATOM 529 CG GLU A 40 -11.661 2.522 6.500 1.00 0.00 C ATOM 530 CD GLU A 40 -11.358 3.795 7.264 1.00 0.00 C ATOM 531 OE1 GLU A 40 -11.743 4.885 6.791 1.00 0.00 O ATOM 532 OE2 GLU A 40 -10.710 3.717 8.326 1.00 0.00 O ATOM 0 H GLU A 40 -10.048 4.684 5.609 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.083 2.069 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.619 3.327 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.382 1.592 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.740 2.371 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.235 1.674 7.036 1.00 0.00 H new ATOM 539 N GLN A 41 -8.892 3.369 2.709 1.00 0.00 N ATOM 540 CA GLN A 41 -8.530 3.079 1.321 1.00 0.00 C ATOM 541 C GLN A 41 -7.259 2.242 1.258 1.00 0.00 C ATOM 542 O GLN A 41 -7.226 1.207 0.597 1.00 0.00 O ATOM 543 CB GLN A 41 -8.321 4.350 0.507 1.00 0.00 C ATOM 544 CG GLN A 41 -8.530 4.148 -0.984 1.00 0.00 C ATOM 545 CD GLN A 41 -8.261 5.406 -1.780 1.00 0.00 C ATOM 546 OE1 GLN A 41 -9.155 6.230 -1.986 1.00 0.00 O ATOM 547 NE2 GLN A 41 -7.031 5.563 -2.236 1.00 0.00 N ATOM 0 H GLN A 41 -8.927 4.360 2.947 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.364 2.523 0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.008 5.118 0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.311 4.721 0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.874 3.352 -1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.554 3.820 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.321 4.856 -2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.791 6.391 -2.782 1.00 0.00 H new ATOM 556 N ILE A 42 -6.218 2.687 1.958 1.00 0.00 N ATOM 557 CA ILE A 42 -4.951 1.970 1.954 1.00 0.00 C ATOM 558 C ILE A 42 -5.123 0.598 2.590 1.00 0.00 C ATOM 559 O ILE A 42 -4.574 -0.382 2.101 1.00 0.00 O ATOM 560 CB ILE A 42 -3.816 2.756 2.659 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.488 2.002 2.543 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.145 3.032 4.120 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.009 1.829 1.115 1.00 0.00 C ATOM 0 H ILE A 42 -6.228 3.532 2.529 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.652 1.853 0.912 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.721 3.718 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.726 2.536 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.597 1.019 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.325 3.585 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.060 3.622 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.286 2.088 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.064 1.287 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.751 1.268 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.867 2.808 0.658 1.00 0.00 H new ATOM 575 N ASN A 43 -5.919 0.536 3.657 1.00 0.00 N ATOM 576 CA ASN A 43 -6.253 -0.725 4.307 1.00 0.00 C ATOM 577 C ASN A 43 -6.849 -1.691 3.295 1.00 0.00 C ATOM 578 O ASN A 43 -6.474 -2.859 3.227 1.00 0.00 O ATOM 579 CB ASN A 43 -7.261 -0.496 5.438 1.00 0.00 C ATOM 580 CG ASN A 43 -6.696 0.274 6.618 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.794 1.102 6.475 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.237 0.010 7.796 1.00 0.00 N ATOM 0 H ASN A 43 -6.347 1.354 4.091 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.339 -1.148 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.120 0.045 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.626 -1.462 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.909 0.499 8.629 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.982 -0.683 7.871 1.00 0.00 H new ATOM 589 N LYS A 44 -7.779 -1.179 2.503 1.00 0.00 N ATOM 590 CA LYS A 44 -8.439 -1.967 1.477 1.00 0.00 C ATOM 591 C LYS A 44 -7.459 -2.392 0.392 1.00 0.00 C ATOM 592 O LYS A 44 -7.540 -3.506 -0.114 1.00 0.00 O ATOM 593 CB LYS A 44 -9.598 -1.172 0.875 1.00 0.00 C ATOM 594 CG LYS A 44 -10.760 -1.014 1.842 1.00 0.00 C ATOM 595 CD LYS A 44 -11.853 -0.129 1.279 1.00 0.00 C ATOM 596 CE LYS A 44 -13.109 -0.201 2.131 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.712 -1.562 2.118 1.00 0.00 N ATOM 0 H LYS A 44 -8.095 -0.211 2.554 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.832 -2.873 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.242 -0.186 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.947 -1.672 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.173 -1.995 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.397 -0.590 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.502 0.902 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.084 -0.436 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.869 0.080 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.838 0.522 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.713 -1.501 2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.639 -1.965 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.206 -2.173 2.791 1.00 0.00 H new ATOM 611 N ILE A 45 -6.532 -1.510 0.050 1.00 0.00 N ATOM 612 CA ILE A 45 -5.536 -1.808 -0.971 1.00 0.00 C ATOM 613 C ILE A 45 -4.565 -2.887 -0.499 1.00 0.00 C ATOM 614 O ILE A 45 -4.346 -3.889 -1.183 1.00 0.00 O ATOM 615 CB ILE A 45 -4.740 -0.552 -1.371 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.674 0.474 -2.006 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.605 -0.904 -2.324 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.563 -0.094 -3.093 1.00 0.00 C ATOM 0 H ILE A 45 -6.448 -0.582 0.464 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.081 -2.172 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.299 -0.122 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.301 0.910 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.077 1.284 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.059 0.001 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.927 -1.607 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.015 -1.359 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.197 0.697 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.945 -0.504 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.188 -0.884 -2.676 1.00 0.00 H new ATOM 630 N GLN A 46 -4.003 -2.686 0.681 1.00 0.00 N ATOM 631 CA GLN A 46 -2.964 -3.563 1.192 1.00 0.00 C ATOM 632 C GLN A 46 -3.527 -4.919 1.613 1.00 0.00 C ATOM 633 O GLN A 46 -2.855 -5.940 1.486 1.00 0.00 O ATOM 634 CB GLN A 46 -2.195 -2.874 2.333 1.00 0.00 C ATOM 635 CG GLN A 46 -3.046 -2.391 3.500 1.00 0.00 C ATOM 636 CD GLN A 46 -3.003 -3.321 4.697 1.00 0.00 C ATOM 637 OE1 GLN A 46 -3.797 -4.253 4.809 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.083 -3.059 5.618 1.00 0.00 N ATOM 0 H GLN A 46 -4.251 -1.919 1.306 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.257 -3.761 0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.447 -3.569 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.657 -2.020 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.705 -1.402 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.079 -2.284 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.441 -2.277 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.018 -3.640 6.454 1.00 0.00 H new ATOM 647 N GLN A 47 -4.771 -4.937 2.074 1.00 0.00 N ATOM 648 CA GLN A 47 -5.412 -6.186 2.466 1.00 0.00 C ATOM 649 C GLN A 47 -5.903 -6.953 1.239 1.00 0.00 C ATOM 650 O GLN A 47 -5.935 -8.184 1.233 1.00 0.00 O ATOM 651 CB GLN A 47 -6.573 -5.915 3.421 1.00 0.00 C ATOM 652 CG GLN A 47 -7.243 -7.173 3.947 1.00 0.00 C ATOM 653 CD GLN A 47 -8.228 -6.892 5.066 1.00 0.00 C ATOM 654 OE1 GLN A 47 -8.458 -7.738 5.927 1.00 0.00 O ATOM 655 NE2 GLN A 47 -8.811 -5.703 5.066 1.00 0.00 N ATOM 0 H GLN A 47 -5.353 -4.107 2.185 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.673 -6.799 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.208 -5.330 4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.317 -5.306 2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.763 -7.671 3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.479 -7.863 4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.593 -5.028 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.478 -5.462 5.799 1.00 0.00 H new ATOM 664 N ASP A 48 -6.287 -6.221 0.198 1.00 0.00 N ATOM 665 CA ASP A 48 -6.734 -6.844 -1.044 1.00 0.00 C ATOM 666 C ASP A 48 -5.551 -7.434 -1.795 1.00 0.00 C ATOM 667 O ASP A 48 -5.611 -8.569 -2.275 1.00 0.00 O ATOM 668 CB ASP A 48 -7.457 -5.830 -1.931 1.00 0.00 C ATOM 669 CG ASP A 48 -7.866 -6.412 -3.271 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.951 -7.022 -3.353 1.00 0.00 O ATOM 671 OD2 ASP A 48 -7.102 -6.263 -4.250 1.00 0.00 O ATOM 0 H ASP A 48 -6.298 -5.201 0.189 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.430 -7.643 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.343 -5.466 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.808 -4.970 -2.096 1.00 0.00 H new ATOM 676 N SER A 49 -4.477 -6.664 -1.886 1.00 0.00 N ATOM 677 CA SER A 49 -3.268 -7.124 -2.546 1.00 0.00 C ATOM 678 C SER A 49 -2.613 -8.245 -1.741 1.00 0.00 C ATOM 679 O SER A 49 -2.213 -9.275 -2.289 1.00 0.00 O ATOM 680 CB SER A 49 -2.287 -5.962 -2.725 1.00 0.00 C ATOM 681 OG SER A 49 -2.055 -5.292 -1.497 1.00 0.00 O ATOM 0 H SER A 49 -4.420 -5.717 -1.510 1.00 0.00 H new ATOM 0 HA SER A 49 -3.537 -7.512 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.343 -6.337 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.683 -5.258 -3.457 1.00 0.00 H new ATOM 0 HG SER A 49 -2.764 -4.633 -1.345 1.00 0.00 H new ATOM 687 N GLY A 50 -2.526 -8.040 -0.430 1.00 0.00 N ATOM 688 CA GLY A 50 -1.897 -9.010 0.444 1.00 0.00 C ATOM 689 C GLY A 50 -0.578 -8.500 0.982 1.00 0.00 C ATOM 690 O GLY A 50 0.104 -9.182 1.749 1.00 0.00 O ATOM 0 H GLY A 50 -2.884 -7.211 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.565 -9.240 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.734 -9.940 -0.101 1.00 0.00 H new ATOM 694 N CYS A 51 -0.222 -7.292 0.575 1.00 0.00 N ATOM 695 CA CYS A 51 1.023 -6.674 0.993 1.00 0.00 C ATOM 696 C CYS A 51 0.853 -6.012 2.353 1.00 0.00 C ATOM 697 O CYS A 51 -0.141 -5.332 2.602 1.00 0.00 O ATOM 698 CB CYS A 51 1.457 -5.645 -0.047 1.00 0.00 C ATOM 699 SG CYS A 51 3.038 -4.845 0.302 1.00 0.00 S ATOM 0 H CYS A 51 -0.785 -6.716 -0.051 1.00 0.00 H new ATOM 0 HA CYS A 51 1.792 -7.441 1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.519 -6.134 -1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.686 -4.878 -0.124 1.00 0.00 H new ATOM 0 HG CYS A 51 2.967 -4.221 1.440 1.00 0.00 H new ATOM 705 N LYS A 52 1.825 -6.207 3.230 1.00 0.00 N ATOM 706 CA LYS A 52 1.779 -5.621 4.558 1.00 0.00 C ATOM 707 C LYS A 52 2.226 -4.166 4.482 1.00 0.00 C ATOM 708 O LYS A 52 3.335 -3.816 4.886 1.00 0.00 O ATOM 709 CB LYS A 52 2.676 -6.409 5.526 1.00 0.00 C ATOM 710 CG LYS A 52 2.575 -7.920 5.363 1.00 0.00 C ATOM 711 CD LYS A 52 1.170 -8.436 5.615 1.00 0.00 C ATOM 712 CE LYS A 52 1.018 -9.866 5.119 1.00 0.00 C ATOM 713 NZ LYS A 52 2.040 -10.777 5.704 1.00 0.00 N ATOM 0 H LYS A 52 2.656 -6.768 3.045 1.00 0.00 H new ATOM 0 HA LYS A 52 0.757 -5.664 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.712 -6.105 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.411 -6.144 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.885 -8.196 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.266 -8.404 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.948 -8.391 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.447 -7.794 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.022 -10.232 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.099 -9.882 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.789 -11.763 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.972 -10.560 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.074 -10.645 6.735 1.00 0.00 H new ATOM 727 N VAL A 53 1.362 -3.332 3.927 1.00 0.00 N ATOM 728 CA VAL A 53 1.653 -1.919 3.768 1.00 0.00 C ATOM 729 C VAL A 53 1.358 -1.180 5.059 1.00 0.00 C ATOM 730 O VAL A 53 0.198 -1.055 5.466 1.00 0.00 O ATOM 731 CB VAL A 53 0.824 -1.301 2.628 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.204 0.152 2.399 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.992 -2.108 1.352 1.00 0.00 C ATOM 0 H VAL A 53 0.446 -3.614 3.577 1.00 0.00 H new ATOM 0 HA VAL A 53 2.710 -1.823 3.519 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.226 -1.329 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.602 0.562 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.023 0.723 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.260 0.215 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.399 -1.658 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.043 -2.116 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.655 -3.131 1.521 1.00 0.00 H new ATOM 743 N GLN A 54 2.404 -0.703 5.706 1.00 0.00 N ATOM 744 CA GLN A 54 2.256 -0.023 6.975 1.00 0.00 C ATOM 745 C GLN A 54 2.580 1.456 6.819 1.00 0.00 C ATOM 746 O GLN A 54 3.696 1.821 6.450 1.00 0.00 O ATOM 747 CB GLN A 54 3.168 -0.657 8.027 1.00 0.00 C ATOM 748 CG GLN A 54 2.790 -0.300 9.456 1.00 0.00 C ATOM 749 CD GLN A 54 1.471 -0.921 9.886 1.00 0.00 C ATOM 750 OE1 GLN A 54 1.439 -2.024 10.432 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.374 -0.226 9.628 1.00 0.00 N ATOM 0 H GLN A 54 3.365 -0.775 5.372 1.00 0.00 H new ATOM 0 HA GLN A 54 1.222 -0.122 7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.141 -1.741 7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.195 -0.342 7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.580 -0.631 10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.724 0.784 9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.442 0.685 9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.539 -0.601 9.883 1.00 0.00 H new ATOM 760 N ILE A 55 1.594 2.299 7.079 1.00 0.00 N ATOM 761 CA ILE A 55 1.794 3.739 7.044 1.00 0.00 C ATOM 762 C ILE A 55 2.457 4.192 8.338 1.00 0.00 C ATOM 763 O ILE A 55 1.879 4.044 9.412 1.00 0.00 O ATOM 764 CB ILE A 55 0.454 4.497 6.878 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.363 3.936 5.707 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.705 5.983 6.677 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.329 4.031 4.366 1.00 0.00 C ATOM 0 H ILE A 55 0.645 2.010 7.317 1.00 0.00 H new ATOM 0 HA ILE A 55 2.428 3.966 6.187 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.123 4.355 7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.596 2.891 5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.312 4.470 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.247 6.501 6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.233 6.383 7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.309 6.132 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.316 3.613 3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.538 5.076 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.265 3.473 4.399 1.00 0.00 H new ATOM 779 N SER A 56 3.675 4.710 8.246 1.00 0.00 N ATOM 780 CA SER A 56 4.371 5.196 9.425 1.00 0.00 C ATOM 781 C SER A 56 4.258 6.715 9.526 1.00 0.00 C ATOM 782 O SER A 56 4.907 7.450 8.771 1.00 0.00 O ATOM 783 CB SER A 56 5.841 4.771 9.394 1.00 0.00 C ATOM 784 OG SER A 56 6.517 5.159 10.581 1.00 0.00 O ATOM 0 H SER A 56 4.196 4.803 7.374 1.00 0.00 H new ATOM 0 HA SER A 56 3.903 4.756 10.305 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.906 3.690 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.333 5.219 8.530 1.00 0.00 H new ATOM 0 HG SER A 56 7.453 4.873 10.533 1.00 0.00 H new ATOM 790 N PRO A 57 3.405 7.203 10.446 1.00 0.00 N ATOM 791 CA PRO A 57 3.248 8.634 10.707 1.00 0.00 C ATOM 792 C PRO A 57 4.437 9.206 11.469 1.00 0.00 C ATOM 793 O PRO A 57 4.688 10.410 11.445 1.00 0.00 O ATOM 794 CB PRO A 57 1.981 8.704 11.559 1.00 0.00 C ATOM 795 CG PRO A 57 1.918 7.387 12.248 1.00 0.00 C ATOM 796 CD PRO A 57 2.506 6.390 11.290 1.00 0.00 C ATOM 0 HA PRO A 57 3.187 9.216 9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.030 9.524 12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.098 8.871 10.943 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.479 7.408 13.182 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.890 7.127 12.499 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.051 5.604 11.814 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.733 5.901 10.697 1.00 0.00 H new ATOM 804 N ASP A 58 5.159 8.331 12.153 1.00 0.00 N ATOM 805 CA ASP A 58 6.339 8.726 12.906 1.00 0.00 C ATOM 806 C ASP A 58 7.549 8.758 11.990 1.00 0.00 C ATOM 807 O ASP A 58 8.466 9.556 12.183 1.00 0.00 O ATOM 808 CB ASP A 58 6.573 7.764 14.074 1.00 0.00 C ATOM 809 CG ASP A 58 5.496 7.867 15.137 1.00 0.00 C ATOM 810 OD1 ASP A 58 4.310 7.634 14.820 1.00 0.00 O ATOM 811 OD2 ASP A 58 5.826 8.183 16.299 1.00 0.00 O ATOM 0 H ASP A 58 4.945 7.335 12.202 1.00 0.00 H new ATOM 0 HA ASP A 58 6.181 9.725 13.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.610 6.742 13.697 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.544 7.973 14.524 1.00 0.00 H new ATOM 816 N SER A 59 7.531 7.862 11.004 1.00 0.00 N ATOM 817 CA SER A 59 8.513 7.822 9.923 1.00 0.00 C ATOM 818 C SER A 59 9.924 7.487 10.415 1.00 0.00 C ATOM 819 O SER A 59 10.391 6.356 10.257 1.00 0.00 O ATOM 820 CB SER A 59 8.519 9.139 9.136 1.00 0.00 C ATOM 821 OG SER A 59 9.331 9.030 7.981 1.00 0.00 O ATOM 0 H SER A 59 6.822 7.132 10.933 1.00 0.00 H new ATOM 0 HA SER A 59 8.206 7.014 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.501 9.400 8.847 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.887 9.945 9.770 1.00 0.00 H new ATOM 0 HG SER A 59 9.320 8.104 7.660 1.00 0.00 H new ATOM 827 N GLY A 60 10.597 8.464 11.002 1.00 0.00 N ATOM 828 CA GLY A 60 11.956 8.266 11.450 1.00 0.00 C ATOM 829 C GLY A 60 12.903 9.297 10.870 1.00 0.00 C ATOM 830 O GLY A 60 13.154 10.336 11.484 1.00 0.00 O ATOM 0 H GLY A 60 10.222 9.396 11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.989 8.315 12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.289 7.268 11.166 1.00 0.00 H new ATOM 834 N GLY A 61 13.413 9.023 9.678 1.00 0.00 N ATOM 835 CA GLY A 61 14.375 9.915 9.059 1.00 0.00 C ATOM 836 C GLY A 61 13.736 10.889 8.090 1.00 0.00 C ATOM 837 O GLY A 61 14.416 11.747 7.528 1.00 0.00 O ATOM 0 H GLY A 61 13.178 8.198 9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.898 10.473 9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.124 9.324 8.532 1.00 0.00 H new ATOM 841 N LEU A 62 12.432 10.759 7.893 1.00 0.00 N ATOM 842 CA LEU A 62 11.719 11.597 6.940 1.00 0.00 C ATOM 843 C LEU A 62 10.749 12.528 7.667 1.00 0.00 C ATOM 844 O LEU A 62 10.220 12.183 8.725 1.00 0.00 O ATOM 845 CB LEU A 62 10.956 10.730 5.918 1.00 0.00 C ATOM 846 CG LEU A 62 11.818 9.842 5.006 1.00 0.00 C ATOM 847 CD1 LEU A 62 13.083 10.567 4.579 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.155 8.522 5.683 1.00 0.00 C ATOM 0 H LEU A 62 11.846 10.081 8.380 1.00 0.00 H new ATOM 0 HA LEU A 62 12.451 12.202 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.261 10.090 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.357 11.389 5.289 1.00 0.00 H new ATOM 0 HG LEU A 62 11.235 9.621 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.675 9.917 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.817 11.473 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.666 10.832 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.765 7.915 5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.707 8.715 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.234 7.988 5.918 1.00 0.00 H new ATOM 860 N PRO A 63 10.530 13.736 7.118 1.00 0.00 N ATOM 861 CA PRO A 63 9.593 14.718 7.684 1.00 0.00 C ATOM 862 C PRO A 63 8.161 14.426 7.270 1.00 0.00 C ATOM 863 O PRO A 63 7.205 15.029 7.764 1.00 0.00 O ATOM 864 CB PRO A 63 10.055 16.018 7.039 1.00 0.00 C ATOM 865 CG PRO A 63 10.526 15.595 5.694 1.00 0.00 C ATOM 866 CD PRO A 63 11.189 14.258 5.900 1.00 0.00 C ATOM 0 HA PRO A 63 9.595 14.724 8.774 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.243 16.742 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.853 16.489 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.694 15.517 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.226 16.320 5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.037 13.598 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.266 14.360 6.037 1.00 0.00 H new ATOM 874 N GLU A 64 8.042 13.507 6.336 1.00 0.00 N ATOM 875 CA GLU A 64 6.774 13.136 5.756 1.00 0.00 C ATOM 876 C GLU A 64 6.328 11.797 6.323 1.00 0.00 C ATOM 877 O GLU A 64 6.599 11.489 7.484 1.00 0.00 O ATOM 878 CB GLU A 64 6.938 13.077 4.236 1.00 0.00 C ATOM 879 CG GLU A 64 8.094 12.191 3.796 1.00 0.00 C ATOM 880 CD GLU A 64 8.721 12.649 2.496 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.031 12.660 1.459 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.916 13.004 2.512 1.00 0.00 O ATOM 0 H GLU A 64 8.835 12.991 5.955 1.00 0.00 H new ATOM 0 HA GLU A 64 6.006 13.870 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.014 12.707 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.095 14.086 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.855 12.179 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.738 11.167 3.682 1.00 0.00 H new ATOM 889 N ARG A 65 5.633 11.008 5.531 1.00 0.00 N ATOM 890 CA ARG A 65 5.264 9.681 5.946 1.00 0.00 C ATOM 891 C ARG A 65 6.107 8.665 5.206 1.00 0.00 C ATOM 892 O ARG A 65 6.393 8.831 4.022 1.00 0.00 O ATOM 893 CB ARG A 65 3.782 9.435 5.691 1.00 0.00 C ATOM 894 CG ARG A 65 2.883 10.389 6.456 1.00 0.00 C ATOM 895 CD ARG A 65 3.286 10.441 7.908 1.00 0.00 C ATOM 896 NE ARG A 65 2.609 11.503 8.643 1.00 0.00 N ATOM 897 CZ ARG A 65 3.248 12.432 9.352 1.00 0.00 C ATOM 898 NH1 ARG A 65 4.577 12.497 9.325 1.00 0.00 N ATOM 899 NH2 ARG A 65 2.560 13.312 10.065 1.00 0.00 N ATOM 0 H ARG A 65 5.315 11.267 4.597 1.00 0.00 H new ATOM 0 HA ARG A 65 5.444 9.579 7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.581 9.532 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.536 8.410 5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.944 11.386 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.845 10.067 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.064 9.482 8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.364 10.588 7.976 1.00 0.00 H new ATOM 0 HE ARG A 65 1.590 11.536 8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.109 11.834 8.760 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.064 13.209 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.541 13.278 10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.050 14.023 10.608 1.00 0.00 H new ATOM 913 N SER A 66 6.528 7.635 5.905 1.00 0.00 N ATOM 914 CA SER A 66 7.283 6.578 5.278 1.00 0.00 C ATOM 915 C SER A 66 6.438 5.315 5.231 1.00 0.00 C ATOM 916 O SER A 66 6.151 4.693 6.257 1.00 0.00 O ATOM 917 CB SER A 66 8.612 6.364 6.007 1.00 0.00 C ATOM 918 OG SER A 66 8.423 6.260 7.406 1.00 0.00 O ATOM 0 H SER A 66 6.361 7.508 6.903 1.00 0.00 H new ATOM 0 HA SER A 66 7.529 6.855 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.091 5.458 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.285 7.193 5.790 1.00 0.00 H new ATOM 0 HG SER A 66 9.289 6.122 7.844 1.00 0.00 H new ATOM 924 N VAL A 67 5.999 4.981 4.035 1.00 0.00 N ATOM 925 CA VAL A 67 5.118 3.852 3.835 1.00 0.00 C ATOM 926 C VAL A 67 5.912 2.637 3.416 1.00 0.00 C ATOM 927 O VAL A 67 6.410 2.572 2.292 1.00 0.00 O ATOM 928 CB VAL A 67 4.063 4.149 2.757 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.147 2.956 2.552 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.261 5.386 3.120 1.00 0.00 C ATOM 0 H VAL A 67 6.242 5.482 3.180 1.00 0.00 H new ATOM 0 HA VAL A 67 4.613 3.661 4.782 1.00 0.00 H new ATOM 0 HB VAL A 67 4.582 4.341 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.410 3.191 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.736 2.095 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.637 2.724 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.520 5.579 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.756 5.226 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.930 6.242 3.204 1.00 0.00 H new ATOM 940 N SER A 68 6.033 1.685 4.313 1.00 0.00 N ATOM 941 CA SER A 68 6.743 0.471 4.004 1.00 0.00 C ATOM 942 C SER A 68 5.806 -0.525 3.361 1.00 0.00 C ATOM 943 O SER A 68 4.678 -0.726 3.821 1.00 0.00 O ATOM 944 CB SER A 68 7.302 -0.154 5.253 1.00 0.00 C ATOM 945 OG SER A 68 7.623 0.836 6.219 1.00 0.00 O ATOM 0 H SER A 68 5.650 1.730 5.257 1.00 0.00 H new ATOM 0 HA SER A 68 7.557 0.725 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.576 -0.852 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.194 -0.730 5.007 1.00 0.00 H new ATOM 0 HG SER A 68 8.064 1.592 5.778 1.00 0.00 H new ATOM 951 N LEU A 69 6.266 -1.141 2.302 1.00 0.00 N ATOM 952 CA LEU A 69 5.493 -2.162 1.649 1.00 0.00 C ATOM 953 C LEU A 69 6.265 -3.465 1.567 1.00 0.00 C ATOM 954 O LEU A 69 7.378 -3.509 1.036 1.00 0.00 O ATOM 955 CB LEU A 69 5.119 -1.712 0.264 1.00 0.00 C ATOM 956 CG LEU A 69 4.487 -0.330 0.182 1.00 0.00 C ATOM 957 CD1 LEU A 69 5.500 0.690 -0.304 1.00 0.00 C ATOM 958 CD2 LEU A 69 3.273 -0.379 -0.717 1.00 0.00 C ATOM 0 H LEU A 69 7.173 -0.952 1.875 1.00 0.00 H new ATOM 0 HA LEU A 69 4.591 -2.332 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.014 -1.723 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.426 -2.437 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 69 4.164 -0.020 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.031 1.672 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.341 0.726 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.857 0.405 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.822 0.612 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.572 -0.700 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.548 -1.085 -0.311 1.00 0.00 H new ATOM 970 N THR A 70 5.696 -4.513 2.133 1.00 0.00 N ATOM 971 CA THR A 70 6.275 -5.841 2.050 1.00 0.00 C ATOM 972 C THR A 70 5.176 -6.897 2.139 1.00 0.00 C ATOM 973 O THR A 70 4.441 -6.934 3.115 1.00 0.00 O ATOM 974 CB THR A 70 7.292 -6.058 3.182 1.00 0.00 C ATOM 975 OG1 THR A 70 8.235 -4.983 3.207 1.00 0.00 O ATOM 976 CG2 THR A 70 8.028 -7.363 2.989 1.00 0.00 C ATOM 0 H THR A 70 4.824 -4.469 2.661 1.00 0.00 H new ATOM 0 HA THR A 70 6.789 -5.933 1.093 1.00 0.00 H new ATOM 0 HB THR A 70 6.751 -6.090 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.061 -5.282 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.744 -7.500 3.799 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.314 -8.187 2.992 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.557 -7.345 2.036 1.00 0.00 H new ATOM 984 N GLY A 71 5.051 -7.748 1.131 1.00 0.00 N ATOM 985 CA GLY A 71 3.979 -8.726 1.146 1.00 0.00 C ATOM 986 C GLY A 71 4.283 -9.955 0.319 1.00 0.00 C ATOM 987 O GLY A 71 4.598 -11.011 0.859 1.00 0.00 O ATOM 0 H GLY A 71 5.661 -7.781 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.785 -9.027 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.066 -8.261 0.773 1.00 0.00 H new ATOM 991 N ALA A 72 4.179 -9.816 -0.991 1.00 0.00 N ATOM 992 CA ALA A 72 4.409 -10.923 -1.907 1.00 0.00 C ATOM 993 C ALA A 72 4.684 -10.369 -3.300 1.00 0.00 C ATOM 994 O ALA A 72 4.425 -9.195 -3.535 1.00 0.00 O ATOM 995 CB ALA A 72 3.209 -11.859 -1.905 1.00 0.00 C ATOM 0 H ALA A 72 3.934 -8.938 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 72 5.277 -11.500 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.390 -12.684 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.056 -12.252 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.320 -11.312 -2.220 1.00 0.00 H new ATOM 1001 N PRO A 73 5.212 -11.182 -4.240 1.00 0.00 N ATOM 1002 CA PRO A 73 5.612 -10.701 -5.575 1.00 0.00 C ATOM 1003 C PRO A 73 4.526 -9.878 -6.272 1.00 0.00 C ATOM 1004 O PRO A 73 4.796 -8.800 -6.805 1.00 0.00 O ATOM 1005 CB PRO A 73 5.898 -11.988 -6.363 1.00 0.00 C ATOM 1006 CG PRO A 73 5.393 -13.108 -5.512 1.00 0.00 C ATOM 1007 CD PRO A 73 5.467 -12.623 -4.095 1.00 0.00 C ATOM 0 HA PRO A 73 6.466 -10.027 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.395 -11.974 -7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.965 -12.097 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.370 -13.370 -5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.998 -14.004 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.723 -13.105 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.442 -12.820 -3.649 1.00 0.00 H new ATOM 1015 N GLU A 74 3.304 -10.389 -6.255 1.00 0.00 N ATOM 1016 CA GLU A 74 2.168 -9.697 -6.852 1.00 0.00 C ATOM 1017 C GLU A 74 1.620 -8.650 -5.882 1.00 0.00 C ATOM 1018 O GLU A 74 1.261 -7.536 -6.273 1.00 0.00 O ATOM 1019 CB GLU A 74 1.081 -10.723 -7.203 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.240 -10.119 -7.653 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.159 -9.436 -9.000 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -0.113 -10.147 -10.028 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.175 -8.192 -9.039 1.00 0.00 O ATOM 0 H GLU A 74 3.071 -11.287 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 74 2.488 -9.187 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.456 -11.373 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.899 -11.352 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.994 -10.905 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.574 -9.398 -6.907 1.00 0.00 H new ATOM 1030 N SER A 75 1.600 -9.010 -4.608 1.00 0.00 N ATOM 1031 CA SER A 75 0.995 -8.179 -3.578 1.00 0.00 C ATOM 1032 C SER A 75 1.749 -6.865 -3.395 1.00 0.00 C ATOM 1033 O SER A 75 1.142 -5.795 -3.341 1.00 0.00 O ATOM 1034 CB SER A 75 0.956 -8.952 -2.263 1.00 0.00 C ATOM 1035 OG SER A 75 0.329 -10.212 -2.441 1.00 0.00 O ATOM 0 H SER A 75 2.000 -9.881 -4.260 1.00 0.00 H new ATOM 0 HA SER A 75 -0.019 -7.931 -3.892 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.970 -9.094 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.417 -8.375 -1.512 1.00 0.00 H new ATOM 0 HG SER A 75 -0.643 -10.093 -2.465 1.00 0.00 H new ATOM 1041 N VAL A 76 3.070 -6.948 -3.321 1.00 0.00 N ATOM 1042 CA VAL A 76 3.894 -5.778 -3.067 1.00 0.00 C ATOM 1043 C VAL A 76 3.942 -4.885 -4.303 1.00 0.00 C ATOM 1044 O VAL A 76 4.168 -3.682 -4.207 1.00 0.00 O ATOM 1045 CB VAL A 76 5.322 -6.181 -2.621 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.199 -6.572 -3.804 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.960 -5.072 -1.802 1.00 0.00 C ATOM 0 H VAL A 76 3.594 -7.816 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 76 3.441 -5.216 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 76 5.233 -7.064 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.191 -6.847 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.752 -7.420 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.282 -5.729 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.962 -5.374 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.021 -4.165 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.355 -4.880 -0.916 1.00 0.00 H new ATOM 1057 N GLN A 77 3.696 -5.484 -5.463 1.00 0.00 N ATOM 1058 CA GLN A 77 3.669 -4.743 -6.712 1.00 0.00 C ATOM 1059 C GLN A 77 2.366 -3.961 -6.825 1.00 0.00 C ATOM 1060 O GLN A 77 2.373 -2.772 -7.136 1.00 0.00 O ATOM 1061 CB GLN A 77 3.828 -5.696 -7.901 1.00 0.00 C ATOM 1062 CG GLN A 77 3.965 -4.987 -9.239 1.00 0.00 C ATOM 1063 CD GLN A 77 5.140 -4.028 -9.273 1.00 0.00 C ATOM 1064 OE1 GLN A 77 6.263 -4.419 -9.595 1.00 0.00 O ATOM 1065 NE2 GLN A 77 4.890 -2.767 -8.951 1.00 0.00 N ATOM 0 H GLN A 77 3.513 -6.483 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 77 4.502 -4.040 -6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.706 -6.321 -7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.966 -6.362 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.083 -5.729 -10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.047 -4.439 -9.451 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.945 -2.485 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.642 -2.078 -8.964 1.00 0.00 H new ATOM 1074 N LYS A 78 1.255 -4.640 -6.558 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.065 -4.017 -6.577 1.00 0.00 C ATOM 1076 C LYS A 78 -0.147 -2.886 -5.547 1.00 0.00 C ATOM 1077 O LYS A 78 -0.634 -1.785 -5.841 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.135 -5.080 -6.294 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.559 -4.546 -6.246 1.00 0.00 C ATOM 1080 CD LYS A 78 -2.989 -3.933 -7.569 1.00 0.00 C ATOM 1081 CE LYS A 78 -2.935 -4.935 -8.711 1.00 0.00 C ATOM 1082 NZ LYS A 78 -3.417 -4.352 -9.992 1.00 0.00 N ATOM 0 H LYS A 78 1.243 -5.633 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.239 -3.585 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.075 -5.851 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.909 -5.561 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.240 -5.356 -5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.638 -3.797 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.004 -3.546 -7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.345 -3.085 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.911 -5.286 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.542 -5.805 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.363 -5.070 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.403 -4.040 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.823 -3.538 -10.248 1.00 0.00 H new ATOM 1096 N ALA A 79 0.350 -3.162 -4.349 1.00 0.00 N ATOM 1097 CA ALA A 79 0.390 -2.170 -3.287 1.00 0.00 C ATOM 1098 C ALA A 79 1.171 -0.941 -3.735 1.00 0.00 C ATOM 1099 O ALA A 79 0.709 0.191 -3.590 1.00 0.00 O ATOM 1100 CB ALA A 79 1.017 -2.769 -2.043 1.00 0.00 C ATOM 0 H ALA A 79 0.733 -4.071 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.630 -1.863 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.043 -2.020 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.426 -3.624 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.033 -3.095 -2.268 1.00 0.00 H new ATOM 1106 N LYS A 80 2.349 -1.176 -4.300 1.00 0.00 N ATOM 1107 CA LYS A 80 3.188 -0.092 -4.786 1.00 0.00 C ATOM 1108 C LYS A 80 2.587 0.587 -6.009 1.00 0.00 C ATOM 1109 O LYS A 80 2.953 1.711 -6.317 1.00 0.00 O ATOM 1110 CB LYS A 80 4.606 -0.571 -5.093 1.00 0.00 C ATOM 1111 CG LYS A 80 5.424 -0.853 -3.846 1.00 0.00 C ATOM 1112 CD LYS A 80 6.904 -0.936 -4.163 1.00 0.00 C ATOM 1113 CE LYS A 80 7.240 -2.141 -5.024 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.652 -2.094 -5.497 1.00 0.00 N ATOM 0 H LYS A 80 2.743 -2.107 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 80 3.240 0.643 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.554 -1.476 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.116 0.184 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.251 -0.067 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.094 -1.789 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.215 -0.026 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.471 -0.987 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.076 -3.055 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.568 -2.176 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.074 -3.042 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.676 -1.778 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.193 -1.429 -4.908 1.00 0.00 H new ATOM 1128 N MET A 81 1.691 -0.091 -6.717 1.00 0.00 N ATOM 1129 CA MET A 81 1.001 0.532 -7.843 1.00 0.00 C ATOM 1130 C MET A 81 0.192 1.732 -7.366 1.00 0.00 C ATOM 1131 O MET A 81 0.277 2.818 -7.946 1.00 0.00 O ATOM 1132 CB MET A 81 0.098 -0.470 -8.574 1.00 0.00 C ATOM 1133 CG MET A 81 0.858 -1.429 -9.473 1.00 0.00 C ATOM 1134 SD MET A 81 1.886 -0.572 -10.682 1.00 0.00 S ATOM 1135 CE MET A 81 2.583 -1.956 -11.578 1.00 0.00 C ATOM 0 H MET A 81 1.427 -1.059 -6.536 1.00 0.00 H new ATOM 0 HA MET A 81 1.756 0.873 -8.552 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.465 -1.044 -7.838 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.629 0.078 -9.173 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.486 -2.076 -8.861 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.149 -2.073 -9.994 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.662 -1.829 -11.661 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.366 -2.881 -11.044 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.146 -2.001 -12.575 1.00 0.00 H new ATOM 1145 N MET A 82 -0.577 1.539 -6.295 1.00 0.00 N ATOM 1146 CA MET A 82 -1.328 2.646 -5.699 1.00 0.00 C ATOM 1147 C MET A 82 -0.380 3.704 -5.145 1.00 0.00 C ATOM 1148 O MET A 82 -0.607 4.903 -5.303 1.00 0.00 O ATOM 1149 CB MET A 82 -2.258 2.164 -4.580 1.00 0.00 C ATOM 1150 CG MET A 82 -3.506 1.449 -5.070 1.00 0.00 C ATOM 1151 SD MET A 82 -4.419 2.406 -6.294 1.00 0.00 S ATOM 1152 CE MET A 82 -5.793 1.307 -6.622 1.00 0.00 C ATOM 0 H MET A 82 -0.697 0.641 -5.827 1.00 0.00 H new ATOM 0 HA MET A 82 -1.937 3.081 -6.491 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.702 1.493 -3.925 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.557 3.022 -3.977 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.224 0.489 -5.502 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.156 1.238 -4.221 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.452 1.759 -7.363 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.417 0.357 -7.002 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.349 1.134 -5.700 1.00 0.00 H new ATOM 1162 N LEU A 83 0.690 3.250 -4.507 1.00 0.00 N ATOM 1163 CA LEU A 83 1.651 4.150 -3.879 1.00 0.00 C ATOM 1164 C LEU A 83 2.347 5.022 -4.909 1.00 0.00 C ATOM 1165 O LEU A 83 2.276 6.239 -4.833 1.00 0.00 O ATOM 1166 CB LEU A 83 2.695 3.368 -3.064 1.00 0.00 C ATOM 1167 CG LEU A 83 2.398 3.215 -1.565 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.371 4.575 -0.885 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.077 2.490 -1.344 1.00 0.00 C ATOM 0 H LEU A 83 0.916 2.260 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 83 1.091 4.795 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.796 2.373 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.660 3.863 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 83 3.195 2.618 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.159 4.447 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.339 5.061 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.595 5.193 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.889 2.394 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.269 3.058 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.126 1.499 -1.794 1.00 0.00 H new ATOM 1181 N ASP A 84 2.994 4.393 -5.879 1.00 0.00 N ATOM 1182 CA ASP A 84 3.740 5.108 -6.911 1.00 0.00 C ATOM 1183 C ASP A 84 2.850 6.146 -7.584 1.00 0.00 C ATOM 1184 O ASP A 84 3.297 7.239 -7.920 1.00 0.00 O ATOM 1185 CB ASP A 84 4.274 4.119 -7.953 1.00 0.00 C ATOM 1186 CG ASP A 84 5.251 4.750 -8.929 1.00 0.00 C ATOM 1187 OD1 ASP A 84 4.805 5.406 -9.893 1.00 0.00 O ATOM 1188 OD2 ASP A 84 6.476 4.572 -8.742 1.00 0.00 O ATOM 0 H ASP A 84 3.019 3.378 -5.975 1.00 0.00 H new ATOM 0 HA ASP A 84 4.581 5.619 -6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.765 3.291 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.436 3.698 -8.508 1.00 0.00 H new ATOM 1193 N ASP A 85 1.577 5.800 -7.741 1.00 0.00 N ATOM 1194 CA ASP A 85 0.616 6.683 -8.384 1.00 0.00 C ATOM 1195 C ASP A 85 0.365 7.958 -7.562 1.00 0.00 C ATOM 1196 O ASP A 85 0.660 9.071 -8.013 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.695 5.924 -8.612 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.728 6.739 -9.370 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -1.626 6.830 -10.616 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.653 7.282 -8.735 1.00 0.00 O ATOM 0 H ASP A 85 1.187 4.910 -7.430 1.00 0.00 H new ATOM 0 HA ASP A 85 1.031 6.999 -9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.487 5.008 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.109 5.628 -7.648 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.143 7.794 -6.344 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.501 8.942 -5.506 1.00 0.00 C ATOM 1207 C ILE A 86 0.748 9.678 -5.020 1.00 0.00 C ATOM 1208 O ILE A 86 0.789 10.917 -4.976 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.384 8.526 -4.295 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.825 8.253 -4.741 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -1.374 9.587 -3.203 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.996 6.979 -5.538 1.00 0.00 C ATOM 0 H ILE A 86 -0.316 6.885 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.087 9.618 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.958 7.610 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.464 8.205 -3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.173 9.094 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.002 9.261 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.354 9.736 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.759 10.525 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.044 6.861 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.386 7.030 -6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.681 6.127 -4.935 1.00 0.00 H new ATOM 1224 N VAL A 87 1.781 8.924 -4.684 1.00 0.00 N ATOM 1225 CA VAL A 87 3.025 9.522 -4.248 1.00 0.00 C ATOM 1226 C VAL A 87 3.612 10.385 -5.353 1.00 0.00 C ATOM 1227 O VAL A 87 4.151 11.442 -5.078 1.00 0.00 O ATOM 1228 CB VAL A 87 4.066 8.474 -3.805 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.400 9.135 -3.489 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.564 7.704 -2.598 1.00 0.00 C ATOM 0 H VAL A 87 1.781 7.904 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 87 2.789 10.137 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 87 4.215 7.776 -4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.118 8.376 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.773 9.645 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.266 9.858 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.311 6.969 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.385 8.395 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.635 7.194 -2.852 1.00 0.00 H new ATOM 1240 N SER A 88 3.470 9.956 -6.602 1.00 0.00 N ATOM 1241 CA SER A 88 3.984 10.730 -7.724 1.00 0.00 C ATOM 1242 C SER A 88 3.152 11.991 -7.940 1.00 0.00 C ATOM 1243 O SER A 88 3.624 12.951 -8.548 1.00 0.00 O ATOM 1244 CB SER A 88 4.010 9.891 -9.005 1.00 0.00 C ATOM 1245 OG SER A 88 4.696 10.568 -10.049 1.00 0.00 O ATOM 0 H SER A 88 3.008 9.085 -6.861 1.00 0.00 H new ATOM 0 HA SER A 88 5.006 11.023 -7.483 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.496 8.935 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.990 9.671 -9.320 1.00 0.00 H new ATOM 0 HG SER A 88 4.699 10.010 -10.854 1.00 0.00 H new ATOM 1251 N ARG A 89 1.907 11.981 -7.466 1.00 0.00 N ATOM 1252 CA ARG A 89 1.081 13.188 -7.493 1.00 0.00 C ATOM 1253 C ARG A 89 1.757 14.291 -6.688 1.00 0.00 C ATOM 1254 O ARG A 89 1.903 15.419 -7.156 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.319 12.923 -6.927 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.071 11.809 -7.633 1.00 0.00 C ATOM 1257 CD ARG A 89 -1.278 12.120 -9.107 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.209 13.229 -9.315 1.00 0.00 N ATOM 1259 CZ ARG A 89 -2.355 13.878 -10.469 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -1.595 13.572 -11.514 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.256 14.844 -10.572 1.00 0.00 N ATOM 0 H ARG A 89 1.452 11.162 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 89 0.973 13.499 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.231 12.674 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.905 13.840 -6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.518 10.875 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.038 11.661 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.318 12.364 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.655 11.232 -9.614 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.783 13.524 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.894 12.836 -11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.713 14.073 -12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.835 15.089 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.370 15.343 -11.454 1.00 0.00 H new ATOM 1275 N GLY A 90 2.176 13.955 -5.475 1.00 0.00 N ATOM 1276 CA GLY A 90 2.862 14.929 -4.636 1.00 0.00 C ATOM 1277 C GLY A 90 4.334 15.061 -4.988 1.00 0.00 C ATOM 1278 O GLY A 90 4.826 16.152 -5.271 1.00 0.00 O ATOM 0 H GLY A 90 2.056 13.033 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.378 15.900 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.766 14.636 -3.591 1.00 0.00 H new ATOM 1282 N ARG A 91 5.022 13.935 -4.971 1.00 0.00 N ATOM 1283 CA ARG A 91 6.437 13.857 -5.301 1.00 0.00 C ATOM 1284 C ARG A 91 6.624 13.718 -6.810 1.00 0.00 C ATOM 1285 O ARG A 91 6.563 12.613 -7.349 1.00 0.00 O ATOM 1286 CB ARG A 91 7.068 12.651 -4.590 1.00 0.00 C ATOM 1287 CG ARG A 91 7.193 12.810 -3.086 1.00 0.00 C ATOM 1288 CD ARG A 91 8.170 13.911 -2.724 1.00 0.00 C ATOM 1289 NE ARG A 91 8.354 14.037 -1.279 1.00 0.00 N ATOM 1290 CZ ARG A 91 8.922 15.089 -0.695 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.330 16.117 -1.427 1.00 0.00 N ATOM 1292 NH2 ARG A 91 9.076 15.110 0.619 1.00 0.00 N ATOM 0 H ARG A 91 4.610 13.035 -4.724 1.00 0.00 H new ATOM 0 HA ARG A 91 6.926 14.773 -4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.470 11.765 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.059 12.474 -5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.215 13.035 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.524 11.869 -2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.132 13.709 -3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.812 14.858 -3.126 1.00 0.00 H new ATOM 0 HE ARG A 91 8.028 13.275 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.209 16.102 -2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.765 16.922 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.760 14.321 1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.511 15.915 1.069 1.00 0.00 H new ATOM 1306 N GLY A 92 6.848 14.833 -7.487 1.00 0.00 N ATOM 1307 CA GLY A 92 7.021 14.798 -8.928 1.00 0.00 C ATOM 1308 C GLY A 92 5.804 15.327 -9.656 1.00 0.00 C ATOM 1309 O GLY A 92 5.474 14.875 -10.758 1.00 0.00 O ATOM 0 H GLY A 92 6.913 15.761 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.894 15.390 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.217 13.774 -9.245 1.00 0.00 H new ATOM 1313 N GLY A 93 5.132 16.277 -9.028 1.00 0.00 N ATOM 1314 CA GLY A 93 3.960 16.888 -9.614 1.00 0.00 C ATOM 1315 C GLY A 93 3.601 18.164 -8.889 1.00 0.00 C ATOM 1316 O GLY A 93 4.521 18.805 -8.335 1.00 0.00 O ATOM 1317 OXT GLY A 93 2.408 18.525 -8.857 1.00 0.00 O ATOM 0 H GLY A 93 5.383 16.640 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.144 17.102 -10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.122 16.192 -9.572 1.00 0.00 H new TER 1321 GLY A 93