USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 873 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 79 TYR OH : rot 172:sc= -2.81! USER MOD Set 1.2: A 84 GLN : amide:sc= 0 X(o=-2.8,f=-2.8) USER MOD Set 2.1: A 40 CYS SG : rot -39:sc= -3.61! USER MOD Set 2.2: A 59 TYR OH : rot -47:sc= -0.0482 USER MOD Set 3.1: A 31 SER OG : rot -139:sc= 0 USER MOD Set 3.2: A 33 ASN : amide:sc= -2.1 K(o=-2.1,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -4.02! K(o=-4!,f=-2.2) USER MOD Single : A 11 THR OG1 : rot 120:sc= -0.0559 USER MOD Single : A 16 GLN : amide:sc= -5.98! C(o=-6!,f=-7.9!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0082 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -5:sc= -2.35 USER MOD Single : A 36 MET CE :methyl -164:sc= -0.898 (180deg=-1.89) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -108:sc= -1.61 (180deg=-4.67!) USER MOD Single : A 43 TYR OH : rot 40:sc= -1.21 USER MOD Single : A 46 HIS : no HD1:sc= -0.581 X(o=-0.58,f=-0.78) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 161:sc= -0.0689 (180deg=-0.649) USER MOD Single : A 51 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.9) USER MOD Single : A 53 ASN : amide:sc= -1.25! K(o=-1.3!,f=0.17) USER MOD Single : A 54 SER OG : rot -160:sc= -1.17 USER MOD Single : A 56 SER OG : rot -32:sc= 0.794 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.748 K(o=-0.75,f=-4.1!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 154:sc= -5.83! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.5) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc=-0.00298 X(o=-0.003,f=-0.028) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -157:sc= -0.218 (180deg=-0.571!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0274 X(o=-0.027,f=-0.29) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.898 K(o=-0.9,f=-3.6) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.149 7.632 31.345 1.00 0.00 N ATOM 2 CA GLY A 1 12.625 7.302 30.012 1.00 0.00 C ATOM 3 C GLY A 1 11.652 7.804 28.943 1.00 0.00 C ATOM 4 O GLY A 1 11.835 8.888 28.392 1.00 0.00 O ATOM 0 H1 GLY A 1 12.826 7.281 32.052 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.058 8.664 31.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.222 7.187 31.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.607 7.746 29.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.745 6.222 29.922 1.00 0.00 H new ATOM 8 N SER A 2 10.638 6.991 28.683 1.00 0.00 N ATOM 9 CA SER A 2 9.636 7.339 27.690 1.00 0.00 C ATOM 10 C SER A 2 10.244 7.274 26.288 1.00 0.00 C ATOM 11 O SER A 2 9.842 6.448 25.470 1.00 0.00 O ATOM 12 CB SER A 2 9.058 8.731 27.954 1.00 0.00 C ATOM 13 OG SER A 2 7.702 8.672 28.388 1.00 0.00 O ATOM 0 H SER A 2 10.489 6.093 29.143 1.00 0.00 H new ATOM 0 HA SER A 2 8.821 6.618 27.760 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.659 9.236 28.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.122 9.329 27.045 1.00 0.00 H new ATOM 0 HG SER A 2 7.370 9.580 28.548 1.00 0.00 H new ATOM 19 N GLU A 3 11.204 8.157 26.053 1.00 0.00 N ATOM 20 CA GLU A 3 11.872 8.210 24.763 1.00 0.00 C ATOM 21 C GLU A 3 12.172 6.796 24.262 1.00 0.00 C ATOM 22 O GLU A 3 12.464 5.902 25.054 1.00 0.00 O ATOM 23 CB GLU A 3 13.151 9.047 24.843 1.00 0.00 C ATOM 24 CG GLU A 3 13.321 9.908 23.589 1.00 0.00 C ATOM 25 CD GLU A 3 13.922 11.271 23.938 1.00 0.00 C ATOM 26 OE1 GLU A 3 13.577 11.782 25.026 1.00 0.00 O ATOM 27 OE2 GLU A 3 14.712 11.772 23.109 1.00 0.00 O ATOM 0 H GLU A 3 11.535 8.841 26.733 1.00 0.00 H new ATOM 0 HA GLU A 3 11.205 8.693 24.049 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.117 9.686 25.726 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.013 8.390 24.957 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.965 9.394 22.875 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.355 10.046 23.104 1.00 0.00 H new ATOM 34 N GLY A 4 12.091 6.639 22.949 1.00 0.00 N ATOM 35 CA GLY A 4 12.350 5.349 22.333 1.00 0.00 C ATOM 36 C GLY A 4 12.967 5.519 20.943 1.00 0.00 C ATOM 37 O GLY A 4 13.489 6.584 20.618 1.00 0.00 O ATOM 0 H GLY A 4 11.850 7.384 22.295 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.023 4.769 22.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.420 4.786 22.256 1.00 0.00 H new ATOM 41 N ALA A 5 12.886 4.454 20.160 1.00 0.00 N ATOM 42 CA ALA A 5 13.429 4.472 18.812 1.00 0.00 C ATOM 43 C ALA A 5 12.514 5.300 17.909 1.00 0.00 C ATOM 44 O ALA A 5 11.416 5.681 18.313 1.00 0.00 O ATOM 45 CB ALA A 5 13.600 3.037 18.311 1.00 0.00 C ATOM 0 H ALA A 5 12.452 3.572 20.433 1.00 0.00 H new ATOM 0 HA ALA A 5 14.413 4.940 18.801 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.007 3.051 17.300 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.283 2.500 18.970 1.00 0.00 H new ATOM 0 HB3 ALA A 5 12.632 2.536 18.306 1.00 0.00 H new ATOM 51 N ALA A 6 12.999 5.555 16.703 1.00 0.00 N ATOM 52 CA ALA A 6 12.238 6.332 15.738 1.00 0.00 C ATOM 53 C ALA A 6 12.329 5.662 14.366 1.00 0.00 C ATOM 54 O ALA A 6 13.243 4.879 14.112 1.00 0.00 O ATOM 55 CB ALA A 6 12.755 7.772 15.720 1.00 0.00 C ATOM 0 H ALA A 6 13.910 5.237 16.371 1.00 0.00 H new ATOM 0 HA ALA A 6 11.185 6.368 16.018 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.184 8.354 14.997 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.641 8.212 16.711 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.808 7.777 15.440 1.00 0.00 H new ATOM 61 N THR A 7 11.368 5.995 13.516 1.00 0.00 N ATOM 62 CA THR A 7 11.328 5.435 12.175 1.00 0.00 C ATOM 63 C THR A 7 11.175 6.549 11.137 1.00 0.00 C ATOM 64 O THR A 7 10.657 7.622 11.444 1.00 0.00 O ATOM 65 CB THR A 7 10.202 4.401 12.128 1.00 0.00 C ATOM 66 OG1 THR A 7 10.255 3.890 10.799 1.00 0.00 O ATOM 67 CG2 THR A 7 8.815 5.041 12.227 1.00 0.00 C ATOM 0 H THR A 7 10.612 6.645 13.730 1.00 0.00 H new ATOM 0 HA THR A 7 12.262 4.930 11.929 1.00 0.00 H new ATOM 0 HB THR A 7 10.331 3.687 12.941 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.558 3.211 10.682 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.052 4.264 12.189 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.732 5.585 13.168 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.672 5.731 11.395 1.00 0.00 H new ATOM 75 N MET A 8 11.634 6.255 9.930 1.00 0.00 N ATOM 76 CA MET A 8 11.555 7.218 8.845 1.00 0.00 C ATOM 77 C MET A 8 10.137 7.284 8.273 1.00 0.00 C ATOM 78 O MET A 8 9.331 6.383 8.497 1.00 0.00 O ATOM 79 CB MET A 8 12.534 6.822 7.737 1.00 0.00 C ATOM 80 CG MET A 8 13.964 7.228 8.100 1.00 0.00 C ATOM 81 SD MET A 8 14.583 8.407 6.912 1.00 0.00 S ATOM 82 CE MET A 8 14.230 9.930 7.774 1.00 0.00 C ATOM 0 H MET A 8 12.062 5.364 9.679 1.00 0.00 H new ATOM 0 HA MET A 8 11.815 8.201 9.238 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.488 5.745 7.573 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.243 7.299 6.801 1.00 0.00 H new ATOM 0 HG2 MET A 8 13.985 7.661 9.100 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.607 6.348 8.120 1.00 0.00 H new ATOM 0 HE1 MET A 8 14.556 10.775 7.168 1.00 0.00 H new ATOM 0 HE2 MET A 8 13.158 10.005 7.955 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.761 9.941 8.726 1.00 0.00 H new ATOM 92 N SER A 9 9.876 8.361 7.546 1.00 0.00 N ATOM 93 CA SER A 9 8.569 8.556 6.941 1.00 0.00 C ATOM 94 C SER A 9 8.708 8.671 5.421 1.00 0.00 C ATOM 95 O SER A 9 9.640 9.303 4.926 1.00 0.00 O ATOM 96 CB SER A 9 7.881 9.800 7.506 1.00 0.00 C ATOM 97 OG SER A 9 8.624 10.987 7.244 1.00 0.00 O ATOM 0 H SER A 9 10.547 9.107 7.362 1.00 0.00 H new ATOM 0 HA SER A 9 7.949 7.691 7.179 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.886 9.892 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.750 9.685 8.582 1.00 0.00 H new ATOM 0 HG SER A 9 8.151 11.759 7.619 1.00 0.00 H new ATOM 103 N HIS A 10 7.768 8.050 4.724 1.00 0.00 N ATOM 104 CA HIS A 10 7.774 8.075 3.272 1.00 0.00 C ATOM 105 C HIS A 10 6.335 8.116 2.753 1.00 0.00 C ATOM 106 O HIS A 10 5.939 9.070 2.086 1.00 0.00 O ATOM 107 CB HIS A 10 8.573 6.896 2.712 1.00 0.00 C ATOM 108 CG HIS A 10 10.026 6.888 3.122 1.00 0.00 C ATOM 109 ND1 HIS A 10 11.060 7.088 2.223 1.00 0.00 N ATOM 110 CD2 HIS A 10 10.607 6.704 4.342 1.00 0.00 C ATOM 111 CE1 HIS A 10 12.206 7.024 2.884 1.00 0.00 C ATOM 112 NE2 HIS A 10 11.923 6.786 4.197 1.00 0.00 N ATOM 0 H HIS A 10 6.997 7.526 5.138 1.00 0.00 H new ATOM 0 HA HIS A 10 8.275 8.978 2.922 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.108 5.967 3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.513 6.914 1.624 1.00 0.00 H new ATOM 0 HD1 HIS A 10 10.957 7.256 1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.084 6.522 5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.192 7.140 2.458 1.00 0.00 H new ATOM 120 N THR A 11 5.592 7.069 3.080 1.00 0.00 N ATOM 121 CA THR A 11 4.206 6.973 2.656 1.00 0.00 C ATOM 122 C THR A 11 3.268 7.173 3.848 1.00 0.00 C ATOM 123 O THR A 11 3.662 6.962 4.994 1.00 0.00 O ATOM 124 CB THR A 11 4.018 5.627 1.954 1.00 0.00 C ATOM 125 OG1 THR A 11 4.664 5.798 0.695 1.00 0.00 O ATOM 126 CG2 THR A 11 2.557 5.355 1.589 1.00 0.00 C ATOM 0 H THR A 11 5.924 6.280 3.634 1.00 0.00 H new ATOM 0 HA THR A 11 3.954 7.763 1.948 1.00 0.00 H new ATOM 0 HB THR A 11 4.386 4.828 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.389 5.144 0.608 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.480 4.387 1.093 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.951 5.348 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.198 6.136 0.918 1.00 0.00 H new ATOM 134 N ILE A 12 2.046 7.578 3.537 1.00 0.00 N ATOM 135 CA ILE A 12 1.049 7.809 4.568 1.00 0.00 C ATOM 136 C ILE A 12 -0.229 7.045 4.216 1.00 0.00 C ATOM 137 O ILE A 12 -0.741 7.163 3.104 1.00 0.00 O ATOM 138 CB ILE A 12 0.831 9.309 4.777 1.00 0.00 C ATOM 139 CG1 ILE A 12 2.095 9.976 5.323 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.385 9.568 5.669 1.00 0.00 C ATOM 141 CD1 ILE A 12 2.085 11.480 5.045 1.00 0.00 C ATOM 0 H ILE A 12 1.723 7.752 2.585 1.00 0.00 H new ATOM 0 HA ILE A 12 1.397 7.425 5.527 1.00 0.00 H new ATOM 0 HB ILE A 12 0.621 9.762 3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.168 9.801 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.975 9.524 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.517 10.642 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.275 9.148 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.230 9.099 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.994 11.930 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.037 11.651 3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.217 11.933 5.524 1.00 0.00 H new ATOM 153 N LEU A 13 -0.709 6.279 5.185 1.00 0.00 N ATOM 154 CA LEU A 13 -1.917 5.496 4.992 1.00 0.00 C ATOM 155 C LEU A 13 -2.978 5.947 5.998 1.00 0.00 C ATOM 156 O LEU A 13 -2.739 5.936 7.204 1.00 0.00 O ATOM 157 CB LEU A 13 -1.603 4.000 5.058 1.00 0.00 C ATOM 158 CG LEU A 13 -2.718 3.059 4.597 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.661 2.720 5.753 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.468 3.644 3.398 1.00 0.00 C ATOM 0 H LEU A 13 -0.282 6.184 6.107 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.327 5.668 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.718 3.808 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.345 3.748 6.087 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.263 2.125 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.444 2.050 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.099 2.232 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.112 3.636 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.255 2.956 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.911 4.600 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.773 3.793 2.572 1.00 0.00 H new ATOM 172 N LEU A 14 -4.128 6.332 5.464 1.00 0.00 N ATOM 173 CA LEU A 14 -5.227 6.785 6.300 1.00 0.00 C ATOM 174 C LEU A 14 -6.484 5.980 5.964 1.00 0.00 C ATOM 175 O LEU A 14 -6.436 5.058 5.151 1.00 0.00 O ATOM 176 CB LEU A 14 -5.412 8.298 6.167 1.00 0.00 C ATOM 177 CG LEU A 14 -4.861 8.932 4.888 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.332 8.939 4.894 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.427 8.239 3.646 1.00 0.00 C ATOM 0 H LEU A 14 -4.323 6.340 4.463 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.005 6.605 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.477 8.520 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.936 8.779 7.021 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.187 9.972 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.967 9.395 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.974 9.512 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.964 7.915 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.020 8.708 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.152 7.184 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.513 8.330 3.642 1.00 0.00 H new ATOM 191 N VAL A 15 -7.579 6.358 6.607 1.00 0.00 N ATOM 192 CA VAL A 15 -8.846 5.683 6.386 1.00 0.00 C ATOM 193 C VAL A 15 -9.993 6.656 6.664 1.00 0.00 C ATOM 194 O VAL A 15 -9.914 7.468 7.586 1.00 0.00 O ATOM 195 CB VAL A 15 -8.919 4.414 7.238 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.317 4.231 7.832 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.502 3.185 6.429 1.00 0.00 C ATOM 0 H VAL A 15 -7.615 7.123 7.281 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.933 5.366 5.347 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.216 4.525 8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.341 3.322 8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.560 5.088 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.047 4.153 7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.563 2.297 7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.167 3.070 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.478 3.311 6.078 1.00 0.00 H new ATOM 207 N GLN A 16 -11.033 6.544 5.851 1.00 0.00 N ATOM 208 CA GLN A 16 -12.195 7.404 5.999 1.00 0.00 C ATOM 209 C GLN A 16 -13.478 6.612 5.741 1.00 0.00 C ATOM 210 O GLN A 16 -13.889 6.445 4.593 1.00 0.00 O ATOM 211 CB GLN A 16 -12.102 8.615 5.068 1.00 0.00 C ATOM 212 CG GLN A 16 -13.220 9.618 5.360 1.00 0.00 C ATOM 213 CD GLN A 16 -13.260 9.977 6.847 1.00 0.00 C ATOM 214 OE1 GLN A 16 -12.474 10.768 7.342 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.216 9.354 7.529 1.00 0.00 N ATOM 0 H GLN A 16 -11.095 5.871 5.087 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.220 7.775 7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.133 9.099 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.165 8.286 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.067 10.521 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.179 9.197 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.841 8.703 7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.325 9.527 8.528 1.00 0.00 H new ATOM 224 N PRO A 17 -14.092 6.133 6.856 1.00 0.00 N ATOM 225 CA PRO A 17 -15.320 5.363 6.761 1.00 0.00 C ATOM 226 C PRO A 17 -16.514 6.269 6.452 1.00 0.00 C ATOM 227 O PRO A 17 -17.274 6.004 5.521 1.00 0.00 O ATOM 228 CB PRO A 17 -15.444 4.654 8.100 1.00 0.00 C ATOM 229 CG PRO A 17 -14.537 5.411 9.058 1.00 0.00 C ATOM 230 CD PRO A 17 -13.635 6.312 8.231 1.00 0.00 C ATOM 0 HA PRO A 17 -15.302 4.643 5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.476 4.661 8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.142 3.610 8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.129 6.001 9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.942 4.716 9.651 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.720 7.353 8.544 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.587 6.031 8.340 1.00 0.00 H new ATOM 238 N THR A 18 -16.641 7.319 7.250 1.00 0.00 N ATOM 239 CA THR A 18 -17.729 8.266 7.072 1.00 0.00 C ATOM 240 C THR A 18 -17.182 9.639 6.680 1.00 0.00 C ATOM 241 O THR A 18 -16.211 9.734 5.930 1.00 0.00 O ATOM 242 CB THR A 18 -18.553 8.286 8.361 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.666 8.837 9.332 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.853 6.880 8.887 1.00 0.00 C ATOM 0 H THR A 18 -16.009 7.535 8.021 1.00 0.00 H new ATOM 0 HA THR A 18 -18.384 7.967 6.254 1.00 0.00 H new ATOM 0 HB THR A 18 -19.489 8.815 8.184 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.120 8.888 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.440 6.952 9.803 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.416 6.324 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.917 6.362 9.096 1.00 0.00 H new ATOM 252 N LYS A 19 -17.829 10.670 7.203 1.00 0.00 N ATOM 253 CA LYS A 19 -17.419 12.035 6.917 1.00 0.00 C ATOM 254 C LYS A 19 -17.264 12.803 8.231 1.00 0.00 C ATOM 255 O LYS A 19 -17.482 14.012 8.277 1.00 0.00 O ATOM 256 CB LYS A 19 -18.390 12.690 5.932 1.00 0.00 C ATOM 257 CG LYS A 19 -18.062 12.293 4.492 1.00 0.00 C ATOM 258 CD LYS A 19 -16.940 13.166 3.925 1.00 0.00 C ATOM 259 CE LYS A 19 -15.861 12.309 3.261 1.00 0.00 C ATOM 260 NZ LYS A 19 -14.554 13.005 3.294 1.00 0.00 N ATOM 0 H LYS A 19 -18.634 10.588 7.823 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.446 12.046 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.411 12.393 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.341 13.774 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.764 11.245 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.953 12.391 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.351 13.866 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.497 13.760 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.783 11.350 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.141 12.096 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.832 12.410 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.629 13.909 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.282 13.186 4.281 1.00 0.00 H new ATOM 274 N ARG A 20 -16.887 12.068 9.267 1.00 0.00 N ATOM 275 CA ARG A 20 -16.700 12.665 10.579 1.00 0.00 C ATOM 276 C ARG A 20 -15.225 12.609 10.981 1.00 0.00 C ATOM 277 O ARG A 20 -14.502 11.698 10.582 1.00 0.00 O ATOM 278 CB ARG A 20 -17.538 11.944 11.637 1.00 0.00 C ATOM 279 CG ARG A 20 -19.006 11.869 11.215 1.00 0.00 C ATOM 280 CD ARG A 20 -19.768 13.121 11.655 1.00 0.00 C ATOM 281 NE ARG A 20 -21.127 13.118 11.070 1.00 0.00 N ATOM 282 CZ ARG A 20 -21.955 14.172 11.088 1.00 0.00 C ATOM 283 NH1 ARG A 20 -21.568 15.319 11.663 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.171 14.079 10.532 1.00 0.00 N ATOM 0 H ARG A 20 -16.706 11.065 9.225 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.026 13.704 10.521 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.148 10.938 11.791 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.456 12.467 12.590 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.072 11.761 10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.469 10.985 11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.831 13.155 12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.229 14.014 11.339 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.454 12.260 10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.643 15.390 12.087 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.198 16.121 11.676 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.467 13.206 10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.801 14.881 10.546 1.00 0.00 H new ATOM 298 N PRO A 21 -14.811 13.622 11.789 1.00 0.00 N ATOM 299 CA PRO A 21 -13.435 13.697 12.250 1.00 0.00 C ATOM 300 C PRO A 21 -13.168 12.666 13.349 1.00 0.00 C ATOM 301 O PRO A 21 -12.026 12.478 13.764 1.00 0.00 O ATOM 302 CB PRO A 21 -13.256 15.130 12.724 1.00 0.00 C ATOM 303 CG PRO A 21 -14.659 15.674 12.945 1.00 0.00 C ATOM 304 CD PRO A 21 -15.638 14.719 12.282 1.00 0.00 C ATOM 0 HA PRO A 21 -12.716 13.458 11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.673 15.167 13.644 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.720 15.722 11.983 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.872 15.760 14.011 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.753 16.673 12.520 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.386 14.363 12.991 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.176 15.206 11.468 1.00 0.00 H new ATOM 312 N GLU A 22 -14.242 12.026 13.788 1.00 0.00 N ATOM 313 CA GLU A 22 -14.138 11.019 14.831 1.00 0.00 C ATOM 314 C GLU A 22 -13.663 9.690 14.239 1.00 0.00 C ATOM 315 O GLU A 22 -14.331 8.667 14.387 1.00 0.00 O ATOM 316 CB GLU A 22 -15.470 10.849 15.563 1.00 0.00 C ATOM 317 CG GLU A 22 -15.308 11.105 17.063 1.00 0.00 C ATOM 318 CD GLU A 22 -15.983 10.004 17.883 1.00 0.00 C ATOM 319 OE1 GLU A 22 -15.369 8.922 17.995 1.00 0.00 O ATOM 320 OE2 GLU A 22 -17.099 10.270 18.380 1.00 0.00 O ATOM 0 H GLU A 22 -15.188 12.185 13.441 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.401 11.353 15.561 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.206 11.538 15.150 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.852 9.841 15.402 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.249 11.153 17.315 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.741 12.072 17.319 1.00 0.00 H new ATOM 327 N GLY A 23 -12.514 9.748 13.582 1.00 0.00 N ATOM 328 CA GLY A 23 -11.943 8.561 12.968 1.00 0.00 C ATOM 329 C GLY A 23 -10.774 8.927 12.052 1.00 0.00 C ATOM 330 O GLY A 23 -9.835 8.147 11.895 1.00 0.00 O ATOM 0 H GLY A 23 -11.963 10.598 13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.602 7.875 13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.709 8.039 12.395 1.00 0.00 H new ATOM 334 N ARG A 24 -10.868 10.114 11.470 1.00 0.00 N ATOM 335 CA ARG A 24 -9.830 10.593 10.574 1.00 0.00 C ATOM 336 C ARG A 24 -8.448 10.357 11.187 1.00 0.00 C ATOM 337 O ARG A 24 -7.976 11.161 11.990 1.00 0.00 O ATOM 338 CB ARG A 24 -10.001 12.084 10.279 1.00 0.00 C ATOM 339 CG ARG A 24 -10.497 12.307 8.849 1.00 0.00 C ATOM 340 CD ARG A 24 -11.835 13.049 8.842 1.00 0.00 C ATOM 341 NE ARG A 24 -11.642 14.446 9.292 1.00 0.00 N ATOM 342 CZ ARG A 24 -11.191 15.433 8.507 1.00 0.00 C ATOM 343 NH1 ARG A 24 -10.884 15.184 7.226 1.00 0.00 N ATOM 344 NH2 ARG A 24 -11.047 16.670 9.001 1.00 0.00 N ATOM 0 H ARG A 24 -11.648 10.758 11.602 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.917 10.037 9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.708 12.519 10.985 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.051 12.598 10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.757 12.879 8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.607 11.347 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.262 13.037 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.545 12.542 9.496 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.867 14.671 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.994 14.243 6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.541 15.936 6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.281 16.860 9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.703 17.421 8.403 1.00 0.00 H new ATOM 358 N THR A 25 -7.839 9.250 10.787 1.00 0.00 N ATOM 359 CA THR A 25 -6.521 8.898 11.288 1.00 0.00 C ATOM 360 C THR A 25 -5.568 8.614 10.125 1.00 0.00 C ATOM 361 O THR A 25 -6.007 8.379 9.001 1.00 0.00 O ATOM 362 CB THR A 25 -6.680 7.717 12.247 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.432 7.657 12.933 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.768 6.376 11.515 1.00 0.00 C ATOM 0 H THR A 25 -8.234 8.585 10.122 1.00 0.00 H new ATOM 0 HA THR A 25 -6.073 9.724 11.840 1.00 0.00 H new ATOM 0 HB THR A 25 -7.575 7.859 12.853 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.448 6.919 13.577 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.880 5.571 12.242 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.628 6.383 10.846 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.859 6.217 10.936 1.00 0.00 H new ATOM 372 N TYR A 26 -4.280 8.644 10.437 1.00 0.00 N ATOM 373 CA TYR A 26 -3.261 8.392 9.433 1.00 0.00 C ATOM 374 C TYR A 26 -2.074 7.636 10.033 1.00 0.00 C ATOM 375 O TYR A 26 -1.873 7.653 11.247 1.00 0.00 O ATOM 376 CB TYR A 26 -2.788 9.767 8.958 1.00 0.00 C ATOM 377 CG TYR A 26 -3.909 10.799 8.823 1.00 0.00 C ATOM 378 CD1 TYR A 26 -4.382 11.455 9.942 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.448 11.074 7.583 1.00 0.00 C ATOM 380 CE1 TYR A 26 -5.437 12.427 9.814 1.00 0.00 C ATOM 381 CE2 TYR A 26 -5.503 12.045 7.455 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.946 12.674 8.577 1.00 0.00 C ATOM 383 OH TYR A 26 -6.943 13.591 8.457 1.00 0.00 O ATOM 0 H TYR A 26 -3.919 8.839 11.371 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.664 7.785 8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.043 10.145 9.658 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.292 9.656 7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.961 11.239 10.913 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.078 10.560 6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.816 12.948 10.681 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.933 12.269 6.490 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.208 13.665 7.516 1.00 0.00 H new ATOM 393 N ALA A 27 -1.319 6.992 9.156 1.00 0.00 N ATOM 394 CA ALA A 27 -0.157 6.231 9.585 1.00 0.00 C ATOM 395 C ALA A 27 1.086 6.758 8.865 1.00 0.00 C ATOM 396 O ALA A 27 0.976 7.536 7.918 1.00 0.00 O ATOM 397 CB ALA A 27 -0.396 4.743 9.323 1.00 0.00 C ATOM 0 H ALA A 27 -1.489 6.981 8.150 1.00 0.00 H new ATOM 0 HA ALA A 27 0.007 6.351 10.656 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.475 4.172 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.273 4.412 9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.561 4.583 8.258 1.00 0.00 H new ATOM 403 N ASP A 28 2.239 6.313 9.341 1.00 0.00 N ATOM 404 CA ASP A 28 3.502 6.730 8.754 1.00 0.00 C ATOM 405 C ASP A 28 4.427 5.518 8.632 1.00 0.00 C ATOM 406 O ASP A 28 4.802 4.914 9.636 1.00 0.00 O ATOM 407 CB ASP A 28 4.200 7.771 9.632 1.00 0.00 C ATOM 408 CG ASP A 28 4.283 7.413 11.117 1.00 0.00 C ATOM 409 OD1 ASP A 28 5.150 6.577 11.452 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.478 7.984 11.884 1.00 0.00 O ATOM 0 H ASP A 28 2.326 5.668 10.126 1.00 0.00 H new ATOM 0 HA ASP A 28 3.293 7.164 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.211 7.925 9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.674 8.721 9.531 1.00 0.00 H new ATOM 415 N TYR A 29 4.768 5.197 7.392 1.00 0.00 N ATOM 416 CA TYR A 29 5.643 4.067 7.126 1.00 0.00 C ATOM 417 C TYR A 29 6.843 4.492 6.277 1.00 0.00 C ATOM 418 O TYR A 29 6.984 5.666 5.938 1.00 0.00 O ATOM 419 CB TYR A 29 4.803 3.062 6.335 1.00 0.00 C ATOM 420 CG TYR A 29 3.725 2.362 7.164 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.494 2.960 7.342 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.984 1.133 7.736 1.00 0.00 C ATOM 423 CE1 TYR A 29 1.479 2.301 8.123 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.969 0.474 8.517 1.00 0.00 C ATOM 425 CZ TYR A 29 1.767 1.091 8.672 1.00 0.00 C ATOM 426 OH TYR A 29 0.809 0.469 9.409 1.00 0.00 O ATOM 0 H TYR A 29 4.455 5.699 6.561 1.00 0.00 H new ATOM 0 HA TYR A 29 6.027 3.650 8.057 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.327 3.578 5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.464 2.308 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.292 3.922 6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.948 0.665 7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.511 2.758 8.269 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.158 -0.488 8.969 1.00 0.00 H new ATOM 0 HH TYR A 29 1.154 -0.387 9.738 1.00 0.00 H new ATOM 436 N GLU A 30 7.676 3.513 5.957 1.00 0.00 N ATOM 437 CA GLU A 30 8.860 3.770 5.154 1.00 0.00 C ATOM 438 C GLU A 30 8.661 3.243 3.731 1.00 0.00 C ATOM 439 O GLU A 30 9.227 3.781 2.781 1.00 0.00 O ATOM 440 CB GLU A 30 10.104 3.154 5.797 1.00 0.00 C ATOM 441 CG GLU A 30 9.883 1.672 6.108 1.00 0.00 C ATOM 442 CD GLU A 30 11.178 1.014 6.589 1.00 0.00 C ATOM 443 OE1 GLU A 30 11.616 1.370 7.705 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.702 0.170 5.830 1.00 0.00 O ATOM 0 H GLU A 30 7.555 2.540 6.239 1.00 0.00 H new ATOM 0 HA GLU A 30 9.013 4.848 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.957 3.266 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.347 3.690 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.112 1.568 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.520 1.160 5.217 1.00 0.00 H new ATOM 451 N SER A 31 7.854 2.197 3.629 1.00 0.00 N ATOM 452 CA SER A 31 7.573 1.592 2.339 1.00 0.00 C ATOM 453 C SER A 31 6.096 1.775 1.985 1.00 0.00 C ATOM 454 O SER A 31 5.300 2.195 2.824 1.00 0.00 O ATOM 455 CB SER A 31 7.939 0.106 2.335 1.00 0.00 C ATOM 456 OG SER A 31 8.805 -0.228 1.254 1.00 0.00 O ATOM 0 H SER A 31 7.386 1.753 4.419 1.00 0.00 H new ATOM 0 HA SER A 31 8.185 2.091 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.421 -0.151 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.030 -0.491 2.269 1.00 0.00 H new ATOM 0 HG SER A 31 8.531 -1.086 0.868 1.00 0.00 H new ATOM 462 N VAL A 32 5.773 1.451 0.741 1.00 0.00 N ATOM 463 CA VAL A 32 4.405 1.575 0.267 1.00 0.00 C ATOM 464 C VAL A 32 3.648 0.279 0.562 1.00 0.00 C ATOM 465 O VAL A 32 2.540 0.311 1.096 1.00 0.00 O ATOM 466 CB VAL A 32 4.398 1.946 -1.218 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.069 1.563 -1.872 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.697 3.434 -1.412 1.00 0.00 C ATOM 0 H VAL A 32 6.435 1.103 0.047 1.00 0.00 H new ATOM 0 HA VAL A 32 3.890 2.379 0.793 1.00 0.00 H new ATOM 0 HB VAL A 32 5.188 1.379 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.090 1.837 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.915 0.488 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.254 2.091 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.686 3.672 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.939 4.027 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.679 3.665 -0.999 1.00 0.00 H new ATOM 478 N ASN A 33 4.276 -0.831 0.203 1.00 0.00 N ATOM 479 CA ASN A 33 3.676 -2.136 0.423 1.00 0.00 C ATOM 480 C ASN A 33 3.257 -2.259 1.889 1.00 0.00 C ATOM 481 O ASN A 33 2.239 -2.877 2.198 1.00 0.00 O ATOM 482 CB ASN A 33 4.670 -3.258 0.119 1.00 0.00 C ATOM 483 CG ASN A 33 5.766 -3.323 1.184 1.00 0.00 C ATOM 484 OD1 ASN A 33 6.835 -2.752 1.048 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.441 -4.049 2.250 1.00 0.00 N ATOM 0 H ASN A 33 5.195 -0.853 -0.239 1.00 0.00 H new ATOM 0 HA ASN A 33 2.816 -2.228 -0.240 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.145 -4.212 0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.119 -3.095 -0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.105 -4.154 3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.528 -4.501 2.300 1.00 0.00 H new ATOM 492 N GLU A 34 4.064 -1.661 2.754 1.00 0.00 N ATOM 493 CA GLU A 34 3.790 -1.696 4.180 1.00 0.00 C ATOM 494 C GLU A 34 2.465 -0.995 4.484 1.00 0.00 C ATOM 495 O GLU A 34 1.659 -1.495 5.268 1.00 0.00 O ATOM 496 CB GLU A 34 4.937 -1.068 4.974 1.00 0.00 C ATOM 497 CG GLU A 34 6.275 -1.713 4.609 1.00 0.00 C ATOM 498 CD GLU A 34 6.576 -2.906 5.519 1.00 0.00 C ATOM 499 OE1 GLU A 34 7.065 -2.654 6.641 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.308 -4.042 5.073 1.00 0.00 O ATOM 0 H GLU A 34 4.907 -1.150 2.494 1.00 0.00 H new ATOM 0 HA GLU A 34 3.706 -2.738 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.979 0.003 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.752 -1.186 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.253 -2.041 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.073 -0.976 4.694 1.00 0.00 H new ATOM 507 N CYS A 35 2.279 0.151 3.847 1.00 0.00 N ATOM 508 CA CYS A 35 1.065 0.926 4.039 1.00 0.00 C ATOM 509 C CYS A 35 -0.124 0.076 3.586 1.00 0.00 C ATOM 510 O CYS A 35 -1.140 0.006 4.275 1.00 0.00 O ATOM 511 CB CYS A 35 1.125 2.264 3.300 1.00 0.00 C ATOM 512 SG CYS A 35 2.004 3.504 4.319 1.00 0.00 S ATOM 0 H CYS A 35 2.949 0.562 3.197 1.00 0.00 H new ATOM 0 HA CYS A 35 0.952 1.174 5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.635 2.139 2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.116 2.612 3.079 1.00 0.00 H new ATOM 0 HG CYS A 35 2.283 2.992 5.481 1.00 0.00 H new ATOM 518 N MET A 36 0.043 -0.548 2.429 1.00 0.00 N ATOM 519 CA MET A 36 -1.004 -1.391 1.876 1.00 0.00 C ATOM 520 C MET A 36 -1.497 -2.404 2.911 1.00 0.00 C ATOM 521 O MET A 36 -2.693 -2.479 3.190 1.00 0.00 O ATOM 522 CB MET A 36 -0.467 -2.133 0.650 1.00 0.00 C ATOM 523 CG MET A 36 0.016 -1.150 -0.418 1.00 0.00 C ATOM 524 SD MET A 36 -1.278 0.017 -0.805 1.00 0.00 S ATOM 525 CE MET A 36 -0.298 1.476 -1.116 1.00 0.00 C ATOM 0 H MET A 36 0.887 -0.487 1.860 1.00 0.00 H new ATOM 0 HA MET A 36 -1.842 -0.756 1.590 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.354 -2.786 0.946 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.248 -2.771 0.236 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.900 -0.620 -0.063 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.309 -1.692 -1.317 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.939 2.357 -1.093 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.472 1.567 -0.350 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.173 1.396 -2.096 1.00 0.00 H new ATOM 535 N GLU A 37 -0.551 -3.157 3.452 1.00 0.00 N ATOM 536 CA GLU A 37 -0.875 -4.163 4.450 1.00 0.00 C ATOM 537 C GLU A 37 -1.984 -3.656 5.373 1.00 0.00 C ATOM 538 O GLU A 37 -3.033 -4.287 5.494 1.00 0.00 O ATOM 539 CB GLU A 37 0.367 -4.559 5.251 1.00 0.00 C ATOM 540 CG GLU A 37 0.653 -6.056 5.114 1.00 0.00 C ATOM 541 CD GLU A 37 1.916 -6.446 5.885 1.00 0.00 C ATOM 542 OE1 GLU A 37 3.002 -5.995 5.460 1.00 0.00 O ATOM 543 OE2 GLU A 37 1.767 -7.185 6.881 1.00 0.00 O ATOM 0 H GLU A 37 0.440 -3.091 3.219 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.236 -5.054 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.227 -3.987 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.222 -4.307 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.196 -6.628 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.772 -6.312 4.061 1.00 0.00 H new ATOM 550 N GLY A 38 -1.715 -2.521 6.002 1.00 0.00 N ATOM 551 CA GLY A 38 -2.677 -1.922 6.911 1.00 0.00 C ATOM 552 C GLY A 38 -4.095 -2.007 6.342 1.00 0.00 C ATOM 553 O GLY A 38 -5.030 -2.378 7.050 1.00 0.00 O ATOM 0 H GLY A 38 -0.844 -2.000 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.637 -2.430 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.414 -0.879 7.089 1.00 0.00 H new ATOM 557 N VAL A 39 -4.210 -1.657 5.070 1.00 0.00 N ATOM 558 CA VAL A 39 -5.497 -1.689 4.398 1.00 0.00 C ATOM 559 C VAL A 39 -6.044 -3.118 4.420 1.00 0.00 C ATOM 560 O VAL A 39 -7.090 -3.377 5.013 1.00 0.00 O ATOM 561 CB VAL A 39 -5.364 -1.123 2.983 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.676 -1.263 2.209 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.901 0.335 3.018 1.00 0.00 C ATOM 0 H VAL A 39 -3.432 -1.349 4.486 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.215 -1.057 4.920 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.604 -1.704 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.553 -0.853 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.947 -2.317 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.465 -0.720 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.814 0.714 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.627 0.934 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.931 0.397 3.512 1.00 0.00 H new ATOM 573 N CYS A 40 -5.311 -4.008 3.767 1.00 0.00 N ATOM 574 CA CYS A 40 -5.710 -5.404 3.705 1.00 0.00 C ATOM 575 C CYS A 40 -6.032 -5.876 5.124 1.00 0.00 C ATOM 576 O CYS A 40 -7.068 -6.498 5.355 1.00 0.00 O ATOM 577 CB CYS A 40 -4.634 -6.271 3.046 1.00 0.00 C ATOM 578 SG CYS A 40 -5.372 -7.833 2.443 1.00 0.00 S ATOM 0 H CYS A 40 -4.444 -3.790 3.277 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.598 -5.503 3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.178 -5.731 2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.840 -6.486 3.761 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.254 -8.255 3.300 1.00 0.00 H new ATOM 584 N LYS A 41 -5.126 -5.562 6.038 1.00 0.00 N ATOM 585 CA LYS A 41 -5.300 -5.946 7.428 1.00 0.00 C ATOM 586 C LYS A 41 -6.753 -5.700 7.842 1.00 0.00 C ATOM 587 O LYS A 41 -7.414 -6.597 8.364 1.00 0.00 O ATOM 588 CB LYS A 41 -4.279 -5.230 8.314 1.00 0.00 C ATOM 589 CG LYS A 41 -2.854 -5.672 7.976 1.00 0.00 C ATOM 590 CD LYS A 41 -2.430 -6.863 8.839 1.00 0.00 C ATOM 591 CE LYS A 41 -0.935 -7.148 8.683 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.172 -6.532 9.790 1.00 0.00 N ATOM 0 H LYS A 41 -4.268 -5.046 5.843 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.107 -7.011 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.370 -4.152 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.490 -5.442 9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.794 -5.942 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.165 -4.842 8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.658 -6.658 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.004 -7.745 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.763 -8.224 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.582 -6.757 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.841 -6.735 9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.322 -5.503 9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.498 -6.924 10.696 1.00 0.00 H new ATOM 606 N MET A 42 -7.207 -4.480 7.594 1.00 0.00 N ATOM 607 CA MET A 42 -8.569 -4.105 7.934 1.00 0.00 C ATOM 608 C MET A 42 -9.529 -5.277 7.722 1.00 0.00 C ATOM 609 O MET A 42 -10.355 -5.571 8.585 1.00 0.00 O ATOM 610 CB MET A 42 -9.005 -2.924 7.065 1.00 0.00 C ATOM 611 CG MET A 42 -8.058 -1.735 7.240 1.00 0.00 C ATOM 612 SD MET A 42 -8.907 -0.215 6.849 1.00 0.00 S ATOM 613 CE MET A 42 -8.746 -0.219 5.071 1.00 0.00 C ATOM 0 H MET A 42 -6.656 -3.739 7.162 1.00 0.00 H new ATOM 0 HA MET A 42 -8.597 -3.823 8.986 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.025 -3.226 6.018 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.020 -2.627 7.331 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.689 -1.702 8.265 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.189 -1.853 6.592 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.029 0.545 4.769 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.396 -1.197 4.740 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.714 -0.007 4.618 1.00 0.00 H new ATOM 623 N TYR A 43 -9.389 -5.914 6.569 1.00 0.00 N ATOM 624 CA TYR A 43 -10.234 -7.048 6.233 1.00 0.00 C ATOM 625 C TYR A 43 -9.805 -8.299 7.001 1.00 0.00 C ATOM 626 O TYR A 43 -10.617 -8.923 7.682 1.00 0.00 O ATOM 627 CB TYR A 43 -10.038 -7.291 4.735 1.00 0.00 C ATOM 628 CG TYR A 43 -11.231 -7.962 4.052 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.503 -7.461 4.237 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.034 -9.068 3.250 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.626 -8.093 3.594 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.157 -9.699 2.607 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.398 -9.181 2.810 1.00 0.00 C ATOM 634 OH TYR A 43 -14.458 -9.777 2.203 1.00 0.00 O ATOM 0 H TYR A 43 -8.703 -5.667 5.856 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.273 -6.842 6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.841 -6.337 4.245 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.154 -7.912 4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.657 -6.595 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.038 -9.460 3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.627 -7.712 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.017 -10.565 1.977 1.00 0.00 H new ATOM 0 HH TYR A 43 -15.078 -9.091 1.879 1.00 0.00 H new ATOM 644 N GLU A 44 -8.528 -8.628 6.867 1.00 0.00 N ATOM 645 CA GLU A 44 -7.981 -9.794 7.540 1.00 0.00 C ATOM 646 C GLU A 44 -8.529 -9.890 8.965 1.00 0.00 C ATOM 647 O GLU A 44 -9.193 -10.864 9.314 1.00 0.00 O ATOM 648 CB GLU A 44 -6.451 -9.758 7.542 1.00 0.00 C ATOM 649 CG GLU A 44 -5.887 -10.356 6.251 1.00 0.00 C ATOM 650 CD GLU A 44 -4.896 -11.481 6.556 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.294 -11.426 7.650 1.00 0.00 O ATOM 652 OE2 GLU A 44 -4.763 -12.371 5.688 1.00 0.00 O ATOM 0 H GLU A 44 -7.857 -8.107 6.302 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.290 -10.684 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.108 -8.729 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.072 -10.313 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.702 -10.741 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.392 -9.577 5.671 1.00 0.00 H new ATOM 659 N GLU A 45 -8.230 -8.865 9.750 1.00 0.00 N ATOM 660 CA GLU A 45 -8.684 -8.822 11.129 1.00 0.00 C ATOM 661 C GLU A 45 -10.191 -9.077 11.200 1.00 0.00 C ATOM 662 O GLU A 45 -10.679 -9.671 12.160 1.00 0.00 O ATOM 663 CB GLU A 45 -8.324 -7.487 11.784 1.00 0.00 C ATOM 664 CG GLU A 45 -8.822 -6.311 10.942 1.00 0.00 C ATOM 665 CD GLU A 45 -7.826 -5.150 10.978 1.00 0.00 C ATOM 666 OE1 GLU A 45 -6.618 -5.433 10.823 1.00 0.00 O ATOM 667 OE2 GLU A 45 -8.295 -4.005 11.160 1.00 0.00 O ATOM 0 H GLU A 45 -7.679 -8.058 9.457 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.174 -9.611 11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.763 -7.437 12.781 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.243 -7.418 11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.972 -6.634 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.790 -5.976 11.315 1.00 0.00 H new ATOM 674 N HIS A 46 -10.886 -8.616 10.171 1.00 0.00 N ATOM 675 CA HIS A 46 -12.328 -8.788 10.104 1.00 0.00 C ATOM 676 C HIS A 46 -12.655 -10.216 9.666 1.00 0.00 C ATOM 677 O HIS A 46 -13.744 -10.719 9.938 1.00 0.00 O ATOM 678 CB HIS A 46 -12.959 -7.730 9.197 1.00 0.00 C ATOM 679 CG HIS A 46 -14.251 -8.168 8.549 1.00 0.00 C ATOM 680 ND1 HIS A 46 -15.470 -8.127 9.205 1.00 0.00 N ATOM 681 CD2 HIS A 46 -14.502 -8.655 7.300 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.404 -8.573 8.378 1.00 0.00 C ATOM 683 NE2 HIS A 46 -15.803 -8.899 7.199 1.00 0.00 N ATOM 0 H HIS A 46 -10.478 -8.123 9.377 1.00 0.00 H new ATOM 0 HA HIS A 46 -12.762 -8.641 11.093 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -13.145 -6.829 9.782 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.246 -7.462 8.417 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -13.767 -8.815 6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.457 -8.663 8.599 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.275 -9.270 6.374 1.00 0.00 H new ATOM 691 N LEU A 47 -11.692 -10.830 8.994 1.00 0.00 N ATOM 692 CA LEU A 47 -11.864 -12.191 8.515 1.00 0.00 C ATOM 693 C LEU A 47 -11.506 -13.170 9.635 1.00 0.00 C ATOM 694 O LEU A 47 -12.237 -14.128 9.884 1.00 0.00 O ATOM 695 CB LEU A 47 -11.067 -12.411 7.228 1.00 0.00 C ATOM 696 CG LEU A 47 -11.866 -12.342 5.924 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.718 -11.073 5.870 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.944 -12.467 4.709 1.00 0.00 C ATOM 0 H LEU A 47 -10.790 -10.410 8.770 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.906 -12.374 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.273 -11.666 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.585 -13.387 7.285 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.550 -13.190 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.275 -11.049 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.415 -11.067 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.071 -10.198 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.537 -12.415 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.218 -11.654 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.419 -13.422 4.747 1.00 0.00 H new ATOM 710 N LYS A 48 -10.382 -12.896 10.280 1.00 0.00 N ATOM 711 CA LYS A 48 -9.918 -13.741 11.367 1.00 0.00 C ATOM 712 C LYS A 48 -11.120 -14.221 12.183 1.00 0.00 C ATOM 713 O LYS A 48 -11.418 -15.414 12.213 1.00 0.00 O ATOM 714 CB LYS A 48 -8.862 -13.011 12.200 1.00 0.00 C ATOM 715 CG LYS A 48 -7.640 -13.901 12.437 1.00 0.00 C ATOM 716 CD LYS A 48 -6.342 -13.120 12.220 1.00 0.00 C ATOM 717 CE LYS A 48 -5.766 -13.389 10.829 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.307 -13.623 10.909 1.00 0.00 N ATOM 0 H LYS A 48 -9.779 -12.101 10.071 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.423 -14.629 10.974 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.558 -12.098 11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.291 -12.713 13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.665 -14.296 13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.672 -14.756 11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.531 -12.053 12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.613 -13.401 12.980 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.256 -14.257 10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.969 -12.541 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.932 -13.804 9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.842 -12.784 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.120 -14.446 11.517 1.00 0.00 H new ATOM 732 N ARG A 49 -11.779 -13.267 12.824 1.00 0.00 N ATOM 733 CA ARG A 49 -12.942 -13.577 13.638 1.00 0.00 C ATOM 734 C ARG A 49 -13.872 -14.534 12.890 1.00 0.00 C ATOM 735 O ARG A 49 -14.414 -15.467 13.481 1.00 0.00 O ATOM 736 CB ARG A 49 -13.713 -12.307 14.003 1.00 0.00 C ATOM 737 CG ARG A 49 -13.703 -11.308 12.844 1.00 0.00 C ATOM 738 CD ARG A 49 -15.116 -10.803 12.544 1.00 0.00 C ATOM 739 NE ARG A 49 -15.302 -9.450 13.115 1.00 0.00 N ATOM 740 CZ ARG A 49 -16.487 -8.831 13.208 1.00 0.00 C ATOM 741 NH1 ARG A 49 -17.597 -9.439 12.768 1.00 0.00 N ATOM 742 NH2 ARG A 49 -16.562 -7.604 13.741 1.00 0.00 N ATOM 0 H ARG A 49 -11.529 -12.278 12.796 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.590 -14.050 14.555 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.741 -12.562 14.259 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.269 -11.849 14.887 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.057 -10.466 13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.285 -11.781 11.955 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.281 -10.778 11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.853 -11.488 12.963 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.477 -8.958 13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.540 -10.373 12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.499 -8.968 12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.717 -7.141 14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.464 -7.133 13.812 1.00 0.00 H new ATOM 756 N MET A 50 -14.030 -14.270 11.602 1.00 0.00 N ATOM 757 CA MET A 50 -14.885 -15.096 10.767 1.00 0.00 C ATOM 758 C MET A 50 -14.239 -16.455 10.495 1.00 0.00 C ATOM 759 O MET A 50 -14.932 -17.465 10.377 1.00 0.00 O ATOM 760 CB MET A 50 -15.149 -14.381 9.441 1.00 0.00 C ATOM 761 CG MET A 50 -15.671 -12.962 9.677 1.00 0.00 C ATOM 762 SD MET A 50 -15.501 -11.994 8.187 1.00 0.00 S ATOM 763 CE MET A 50 -16.459 -12.991 7.058 1.00 0.00 C ATOM 0 H MET A 50 -13.580 -13.495 11.115 1.00 0.00 H new ATOM 0 HA MET A 50 -15.825 -15.261 11.294 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.230 -14.342 8.856 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.875 -14.947 8.857 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.717 -12.996 9.981 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.118 -12.493 10.491 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.743 -12.391 6.194 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.863 -13.842 6.729 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.357 -13.350 7.561 1.00 0.00 H new ATOM 773 N ASN A 51 -12.917 -16.438 10.403 1.00 0.00 N ATOM 774 CA ASN A 51 -12.169 -17.657 10.147 1.00 0.00 C ATOM 775 C ASN A 51 -11.098 -17.830 11.226 1.00 0.00 C ATOM 776 O ASN A 51 -10.060 -17.172 11.187 1.00 0.00 O ATOM 777 CB ASN A 51 -11.465 -17.597 8.789 1.00 0.00 C ATOM 778 CG ASN A 51 -12.435 -17.162 7.688 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.809 -17.929 6.817 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.819 -15.892 7.776 1.00 0.00 N ATOM 0 H ASN A 51 -12.345 -15.599 10.501 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.872 -18.490 10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.629 -16.899 8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.049 -18.575 8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.465 -15.506 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.467 -15.304 8.532 1.00 0.00 H new ATOM 787 N PRO A 52 -11.397 -18.742 12.191 1.00 0.00 N ATOM 788 CA PRO A 52 -10.472 -19.009 13.279 1.00 0.00 C ATOM 789 C PRO A 52 -9.289 -19.852 12.799 1.00 0.00 C ATOM 790 O PRO A 52 -8.137 -19.445 12.934 1.00 0.00 O ATOM 791 CB PRO A 52 -11.306 -19.706 14.341 1.00 0.00 C ATOM 792 CG PRO A 52 -12.547 -20.218 13.627 1.00 0.00 C ATOM 793 CD PRO A 52 -12.617 -19.539 12.270 1.00 0.00 C ATOM 0 HA PRO A 52 -10.019 -18.102 13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.751 -20.526 14.797 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.573 -19.017 15.142 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.501 -21.301 13.510 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.441 -19.998 14.210 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.665 -20.270 11.463 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.505 -18.913 12.186 1.00 0.00 H new ATOM 801 N ASN A 53 -9.615 -21.013 12.249 1.00 0.00 N ATOM 802 CA ASN A 53 -8.594 -21.917 11.749 1.00 0.00 C ATOM 803 C ASN A 53 -7.670 -21.158 10.794 1.00 0.00 C ATOM 804 O ASN A 53 -6.464 -21.400 10.768 1.00 0.00 O ATOM 805 CB ASN A 53 -9.219 -23.080 10.976 1.00 0.00 C ATOM 806 CG ASN A 53 -10.356 -23.721 11.774 1.00 0.00 C ATOM 807 OD1 ASN A 53 -10.166 -24.660 12.530 1.00 0.00 O ATOM 808 ND2 ASN A 53 -11.545 -23.164 11.566 1.00 0.00 N ATOM 0 H ASN A 53 -10.572 -21.348 12.139 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.041 -22.307 12.604 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.598 -22.723 10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.457 -23.828 10.758 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.367 -23.520 12.053 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.635 -22.380 10.920 1.00 0.00 H new ATOM 815 N SER A 54 -8.271 -20.254 10.034 1.00 0.00 N ATOM 816 CA SER A 54 -7.517 -19.458 9.081 1.00 0.00 C ATOM 817 C SER A 54 -6.192 -19.013 9.703 1.00 0.00 C ATOM 818 O SER A 54 -6.156 -18.063 10.483 1.00 0.00 O ATOM 819 CB SER A 54 -8.322 -18.241 8.620 1.00 0.00 C ATOM 820 OG SER A 54 -9.089 -18.519 7.452 1.00 0.00 O ATOM 0 H SER A 54 -9.271 -20.055 10.059 1.00 0.00 H new ATOM 0 HA SER A 54 -7.311 -20.076 8.207 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.987 -17.921 9.422 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.643 -17.412 8.419 1.00 0.00 H new ATOM 0 HG SER A 54 -9.328 -17.678 7.010 1.00 0.00 H new ATOM 826 N PRO A 55 -5.106 -19.740 9.325 1.00 0.00 N ATOM 827 CA PRO A 55 -3.782 -19.430 9.837 1.00 0.00 C ATOM 828 C PRO A 55 -3.217 -18.174 9.171 1.00 0.00 C ATOM 829 O PRO A 55 -2.668 -17.303 9.844 1.00 0.00 O ATOM 830 CB PRO A 55 -2.953 -20.673 9.561 1.00 0.00 C ATOM 831 CG PRO A 55 -3.708 -21.450 8.495 1.00 0.00 C ATOM 832 CD PRO A 55 -5.110 -20.872 8.403 1.00 0.00 C ATOM 0 HA PRO A 55 -3.786 -19.199 10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.954 -20.407 9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.830 -21.269 10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.199 -21.373 7.534 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.748 -22.509 8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.341 -20.554 7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.862 -21.609 8.685 1.00 0.00 H new ATOM 840 N SER A 56 -3.371 -18.120 7.856 1.00 0.00 N ATOM 841 CA SER A 56 -2.882 -16.985 7.091 1.00 0.00 C ATOM 842 C SER A 56 -4.041 -16.315 6.350 1.00 0.00 C ATOM 843 O SER A 56 -3.843 -15.331 5.640 1.00 0.00 O ATOM 844 CB SER A 56 -1.797 -17.414 6.101 1.00 0.00 C ATOM 845 OG SER A 56 -1.338 -16.324 5.307 1.00 0.00 O ATOM 0 H SER A 56 -3.827 -18.844 7.301 1.00 0.00 H new ATOM 0 HA SER A 56 -2.441 -16.270 7.785 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.957 -17.844 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.188 -18.197 5.451 1.00 0.00 H new ATOM 0 HG SER A 56 -2.072 -15.690 5.166 1.00 0.00 H new ATOM 851 N ILE A 57 -5.227 -16.876 6.542 1.00 0.00 N ATOM 852 CA ILE A 57 -6.418 -16.345 5.901 1.00 0.00 C ATOM 853 C ILE A 57 -6.322 -16.569 4.390 1.00 0.00 C ATOM 854 O ILE A 57 -5.258 -16.913 3.876 1.00 0.00 O ATOM 855 CB ILE A 57 -6.630 -14.882 6.293 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.767 -14.735 7.810 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.826 -14.283 5.549 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.123 -14.134 8.183 1.00 0.00 C ATOM 0 H ILE A 57 -5.388 -17.692 7.132 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.305 -16.876 6.247 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.748 -14.317 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.654 -15.710 8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.967 -14.100 8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.955 -13.242 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.649 -14.335 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.727 -14.845 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.194 -14.041 9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.222 -13.149 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.921 -14.783 7.822 1.00 0.00 H new ATOM 870 N THR A 58 -7.447 -16.365 3.721 1.00 0.00 N ATOM 871 CA THR A 58 -7.503 -16.541 2.280 1.00 0.00 C ATOM 872 C THR A 58 -8.894 -16.182 1.753 1.00 0.00 C ATOM 873 O THR A 58 -9.903 -16.608 2.313 1.00 0.00 O ATOM 874 CB THR A 58 -7.085 -17.978 1.962 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.436 -17.878 0.697 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.283 -18.891 1.695 1.00 0.00 C ATOM 0 H THR A 58 -8.327 -16.079 4.150 1.00 0.00 H new ATOM 0 HA THR A 58 -6.813 -15.867 1.772 1.00 0.00 H new ATOM 0 HB THR A 58 -6.502 -18.378 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.131 -18.765 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.931 -19.899 1.475 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.925 -18.916 2.575 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.848 -18.510 0.844 1.00 0.00 H new ATOM 884 N TYR A 59 -8.903 -15.402 0.682 1.00 0.00 N ATOM 885 CA TYR A 59 -10.153 -14.981 0.073 1.00 0.00 C ATOM 886 C TYR A 59 -9.904 -14.297 -1.273 1.00 0.00 C ATOM 887 O TYR A 59 -8.763 -14.199 -1.722 1.00 0.00 O ATOM 888 CB TYR A 59 -10.773 -13.969 1.039 1.00 0.00 C ATOM 889 CG TYR A 59 -9.805 -12.879 1.504 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.591 -11.766 0.717 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.147 -13.009 2.709 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.680 -10.740 1.154 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.236 -11.983 3.147 1.00 0.00 C ATOM 894 CZ TYR A 59 -8.048 -10.899 2.348 1.00 0.00 C ATOM 895 OH TYR A 59 -7.188 -9.930 2.761 1.00 0.00 O ATOM 0 H TYR A 59 -8.064 -15.051 0.220 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.801 -15.839 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.629 -13.498 0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.152 -14.500 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.107 -11.664 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.315 -13.880 3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.503 -9.864 0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.714 -12.073 4.088 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.587 -9.691 2.025 1.00 0.00 H new ATOM 905 N ASP A 60 -10.991 -13.842 -1.879 1.00 0.00 N ATOM 906 CA ASP A 60 -10.905 -13.170 -3.165 1.00 0.00 C ATOM 907 C ASP A 60 -10.413 -11.737 -2.954 1.00 0.00 C ATOM 908 O ASP A 60 -10.993 -10.987 -2.171 1.00 0.00 O ATOM 909 CB ASP A 60 -12.275 -13.105 -3.844 1.00 0.00 C ATOM 910 CG ASP A 60 -12.731 -14.407 -4.506 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.932 -14.951 -5.298 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.868 -14.828 -4.204 1.00 0.00 O ATOM 0 H ASP A 60 -11.936 -13.925 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.216 -13.733 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.018 -12.813 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.253 -12.319 -4.599 1.00 0.00 H new ATOM 917 N ILE A 61 -9.349 -11.400 -3.668 1.00 0.00 N ATOM 918 CA ILE A 61 -8.772 -10.070 -3.569 1.00 0.00 C ATOM 919 C ILE A 61 -9.847 -9.028 -3.883 1.00 0.00 C ATOM 920 O ILE A 61 -9.810 -7.916 -3.360 1.00 0.00 O ATOM 921 CB ILE A 61 -7.529 -9.958 -4.455 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.317 -9.495 -3.644 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.794 -9.051 -5.658 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.086 -9.340 -4.538 1.00 0.00 C ATOM 0 H ILE A 61 -8.871 -12.025 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.429 -9.878 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.296 -10.949 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.541 -8.545 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.108 -10.215 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.895 -8.988 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.610 -9.463 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.066 -8.055 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.239 -9.010 -3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.850 -10.298 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.290 -8.602 -5.313 1.00 0.00 H new ATOM 936 N SER A 62 -10.780 -9.426 -4.736 1.00 0.00 N ATOM 937 CA SER A 62 -11.864 -8.540 -5.126 1.00 0.00 C ATOM 938 C SER A 62 -12.907 -8.467 -4.009 1.00 0.00 C ATOM 939 O SER A 62 -13.559 -7.440 -3.830 1.00 0.00 O ATOM 940 CB SER A 62 -12.513 -9.005 -6.430 1.00 0.00 C ATOM 941 OG SER A 62 -12.456 -8.003 -7.442 1.00 0.00 O ATOM 0 H SER A 62 -10.808 -10.350 -5.168 1.00 0.00 H new ATOM 0 HA SER A 62 -11.450 -7.546 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.012 -9.906 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.553 -9.272 -6.242 1.00 0.00 H new ATOM 0 HG SER A 62 -12.879 -8.339 -8.259 1.00 0.00 H new ATOM 947 N GLN A 63 -13.034 -9.572 -3.288 1.00 0.00 N ATOM 948 CA GLN A 63 -13.987 -9.646 -2.195 1.00 0.00 C ATOM 949 C GLN A 63 -13.518 -8.784 -1.021 1.00 0.00 C ATOM 950 O GLN A 63 -14.324 -8.366 -0.192 1.00 0.00 O ATOM 951 CB GLN A 63 -14.207 -11.096 -1.757 1.00 0.00 C ATOM 952 CG GLN A 63 -15.199 -11.173 -0.594 1.00 0.00 C ATOM 953 CD GLN A 63 -16.628 -10.913 -1.075 1.00 0.00 C ATOM 954 OE1 GLN A 63 -16.864 -10.415 -2.164 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.566 -11.277 -0.205 1.00 0.00 N ATOM 0 H GLN A 63 -12.492 -10.423 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.943 -9.257 -2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.580 -11.681 -2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.256 -11.538 -1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.142 -12.156 -0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.929 -10.442 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.300 -11.688 0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.551 -11.145 -0.433 1.00 0.00 H new ATOM 964 N LEU A 64 -12.215 -8.544 -0.989 1.00 0.00 N ATOM 965 CA LEU A 64 -11.628 -7.739 0.069 1.00 0.00 C ATOM 966 C LEU A 64 -11.860 -6.258 -0.235 1.00 0.00 C ATOM 967 O LEU A 64 -12.136 -5.471 0.669 1.00 0.00 O ATOM 968 CB LEU A 64 -10.156 -8.104 0.266 1.00 0.00 C ATOM 969 CG LEU A 64 -9.195 -6.930 0.464 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.619 -6.069 1.655 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.751 -7.419 0.595 1.00 0.00 C ATOM 0 H LEU A 64 -11.549 -8.893 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.114 -7.949 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.078 -8.762 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.825 -8.677 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.241 -6.298 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.919 -5.242 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.620 -5.675 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.620 -6.676 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.089 -6.565 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.669 -8.086 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.465 -7.955 -0.310 1.00 0.00 H new ATOM 983 N PHE A 65 -11.739 -5.922 -1.511 1.00 0.00 N ATOM 984 CA PHE A 65 -11.932 -4.549 -1.945 1.00 0.00 C ATOM 985 C PHE A 65 -13.402 -4.140 -1.833 1.00 0.00 C ATOM 986 O PHE A 65 -13.719 -2.952 -1.807 1.00 0.00 O ATOM 987 CB PHE A 65 -11.506 -4.481 -3.413 1.00 0.00 C ATOM 988 CG PHE A 65 -10.001 -4.647 -3.633 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.165 -4.753 -2.565 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.499 -4.687 -4.896 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.769 -4.907 -2.769 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.102 -4.842 -5.100 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.266 -4.948 -4.033 1.00 0.00 C ATOM 0 H PHE A 65 -11.510 -6.577 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.347 -3.875 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.032 -5.257 -3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.820 -3.523 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.564 -4.720 -1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.162 -4.601 -5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.106 -4.992 -1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.704 -4.876 -6.103 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.204 -5.065 -4.188 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.260 -5.147 -1.770 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.689 -4.907 -1.661 1.00 0.00 C ATOM 1005 C ASP A 66 -15.968 -4.076 -0.407 1.00 0.00 C ATOM 1006 O ASP A 66 -16.990 -3.397 -0.323 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.461 -6.222 -1.538 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.605 -6.396 -2.539 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.568 -5.605 -2.442 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -17.491 -7.316 -3.377 1.00 0.00 O ATOM 0 H ASP A 66 -13.993 -6.131 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.012 -4.382 -2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.762 -7.049 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.867 -6.295 -0.529 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.041 -4.157 0.536 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.175 -3.420 1.781 1.00 0.00 C ATOM 1017 C PHE A 67 -14.519 -2.042 1.676 1.00 0.00 C ATOM 1018 O PHE A 67 -14.934 -1.100 2.351 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.456 -4.233 2.860 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.621 -3.386 3.824 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.232 -2.683 4.814 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.269 -3.338 3.690 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.458 -1.897 5.709 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.494 -2.552 4.584 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.105 -1.849 5.574 1.00 0.00 C ATOM 0 H PHE A 67 -14.195 -4.721 0.463 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.229 -3.273 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.196 -4.793 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.806 -4.963 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.306 -2.722 4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.784 -3.898 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.943 -1.338 6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.420 -2.513 4.477 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.516 -1.252 6.254 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.507 -1.966 0.825 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.790 -0.719 0.623 1.00 0.00 C ATOM 1037 C ILE A 68 -13.770 0.357 0.150 1.00 0.00 C ATOM 1038 O ILE A 68 -13.767 1.474 0.665 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.605 -0.929 -0.322 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.398 -1.493 0.430 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.263 0.363 -1.068 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.318 -1.967 -0.544 1.00 0.00 C ATOM 0 H ILE A 68 -13.166 -2.749 0.267 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.361 -0.370 1.562 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.892 -1.667 -1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.987 -0.729 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.714 -2.324 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.417 0.186 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.124 0.684 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.003 1.140 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.471 -2.363 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.725 -2.748 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.987 -1.128 -1.157 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.586 -0.018 -0.825 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.569 0.900 -1.373 1.00 0.00 C ATOM 1056 C ASP A 69 -16.477 1.399 -0.247 1.00 0.00 C ATOM 1057 O ASP A 69 -16.767 2.591 -0.161 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.447 0.208 -2.417 1.00 0.00 C ATOM 1059 CG ASP A 69 -17.037 1.134 -3.483 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -18.085 1.748 -3.185 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -16.426 1.208 -4.571 1.00 0.00 O ATOM 0 H ASP A 69 -14.586 -0.946 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.035 1.726 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.857 -0.562 -2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.265 -0.298 -1.904 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.902 0.461 0.588 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.771 0.791 1.704 1.00 0.00 C ATOM 1068 C ASP A 70 -17.284 2.085 2.360 1.00 0.00 C ATOM 1069 O ASP A 70 -18.081 2.975 2.652 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.749 -0.313 2.763 1.00 0.00 C ATOM 1071 CG ASP A 70 -18.992 -0.380 3.653 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.081 -0.056 3.132 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -18.825 -0.752 4.834 1.00 0.00 O ATOM 0 H ASP A 70 -16.660 -0.527 0.513 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.785 0.903 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.627 -1.274 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.874 -0.170 3.397 1.00 0.00 H new ATOM 1078 N LEU A 71 -15.978 2.148 2.571 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.375 3.318 3.186 1.00 0.00 C ATOM 1080 C LEU A 71 -15.906 4.579 2.502 1.00 0.00 C ATOM 1081 O LEU A 71 -16.367 4.525 1.363 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.849 3.206 3.171 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.253 2.058 3.988 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.735 1.987 3.807 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.650 2.169 5.461 1.00 0.00 C ATOM 0 H LEU A 71 -15.320 1.408 2.327 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.656 3.383 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.523 3.097 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.432 4.143 3.540 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.666 1.122 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.336 1.163 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.501 1.825 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.285 2.923 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.213 1.341 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.284 3.112 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.736 2.133 5.549 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.823 5.686 3.226 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.289 6.959 2.702 1.00 0.00 C ATOM 1099 C ALA A 72 -15.392 7.387 1.539 1.00 0.00 C ATOM 1100 O ALA A 72 -15.853 8.034 0.600 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.317 7.995 3.828 1.00 0.00 C ATOM 0 H ALA A 72 -15.440 5.728 4.171 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.305 6.867 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.666 8.950 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.991 7.658 4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.314 8.116 4.236 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.126 7.008 1.639 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.161 7.344 0.607 1.00 0.00 C ATOM 1109 C ASP A 73 -11.746 7.160 1.160 1.00 0.00 C ATOM 1110 O ASP A 73 -11.317 7.906 2.039 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.311 8.801 0.166 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.080 9.400 -0.519 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.432 8.648 -1.278 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.816 10.595 -0.268 1.00 0.00 O ATOM 0 H ASP A 73 -13.747 6.471 2.419 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.338 6.689 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.158 8.873 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.552 9.406 1.040 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.059 6.163 0.621 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.702 5.872 1.049 1.00 0.00 C ATOM 1121 C LEU A 74 -8.715 6.510 0.069 1.00 0.00 C ATOM 1122 O LEU A 74 -8.964 6.543 -1.135 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.507 4.365 1.225 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.059 3.871 1.227 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.343 4.276 2.517 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -7.993 2.362 0.984 1.00 0.00 C ATOM 0 H LEU A 74 -11.417 5.547 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.509 6.311 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.973 4.066 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.043 3.854 0.426 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.533 4.352 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.316 3.912 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.341 5.362 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.861 3.842 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.952 2.038 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.540 1.842 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.440 2.129 0.017 1.00 0.00 H new ATOM 1138 N SER A 75 -7.615 7.001 0.621 1.00 0.00 N ATOM 1139 CA SER A 75 -6.590 7.636 -0.189 1.00 0.00 C ATOM 1140 C SER A 75 -5.203 7.292 0.358 1.00 0.00 C ATOM 1141 O SER A 75 -5.084 6.580 1.354 1.00 0.00 O ATOM 1142 CB SER A 75 -6.783 9.153 -0.232 1.00 0.00 C ATOM 1143 OG SER A 75 -8.144 9.512 -0.452 1.00 0.00 O ATOM 0 H SER A 75 -7.411 6.972 1.620 1.00 0.00 H new ATOM 0 HA SER A 75 -6.676 7.257 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.440 9.589 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.164 9.575 -1.024 1.00 0.00 H new ATOM 0 HG SER A 75 -8.226 10.488 -0.471 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.190 7.814 -0.317 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.816 7.571 0.089 1.00 0.00 C ATOM 1151 C CYS A 76 -1.958 8.743 -0.392 1.00 0.00 C ATOM 1152 O CYS A 76 -2.335 9.450 -1.325 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.298 6.231 -0.437 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.887 5.963 -2.149 1.00 0.00 S ATOM 0 H CYS A 76 -4.293 8.404 -1.142 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.762 7.505 1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.208 6.217 -0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.642 5.421 0.206 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.061 5.178 -2.774 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.822 8.913 0.267 1.00 0.00 N ATOM 1161 CA LEU A 77 0.092 9.988 -0.082 1.00 0.00 C ATOM 1162 C LEU A 77 1.457 9.395 -0.440 1.00 0.00 C ATOM 1163 O LEU A 77 2.164 8.888 0.430 1.00 0.00 O ATOM 1164 CB LEU A 77 0.149 11.028 1.038 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.089 11.914 1.194 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.668 12.293 -0.171 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.132 11.245 2.092 1.00 0.00 C ATOM 0 H LEU A 77 -0.513 8.325 1.041 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.266 10.521 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.321 10.509 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.012 11.671 0.866 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.787 12.839 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.547 12.923 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.919 12.838 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.951 11.389 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.002 11.895 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.435 10.295 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.703 11.067 3.078 1.00 0.00 H new ATOM 1179 N VAL A 78 1.785 9.478 -1.721 1.00 0.00 N ATOM 1180 CA VAL A 78 3.052 8.956 -2.204 1.00 0.00 C ATOM 1181 C VAL A 78 4.061 10.101 -2.316 1.00 0.00 C ATOM 1182 O VAL A 78 3.743 11.163 -2.849 1.00 0.00 O ATOM 1183 CB VAL A 78 2.842 8.212 -3.524 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.181 7.820 -4.152 1.00 0.00 C ATOM 1185 CG2 VAL A 78 1.949 6.986 -3.327 1.00 0.00 C ATOM 0 H VAL A 78 1.195 9.899 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 78 3.460 8.231 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 78 2.335 8.888 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.003 7.293 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.768 8.717 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.727 7.170 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.816 6.476 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.416 6.307 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.978 7.301 -2.946 1.00 0.00 H new ATOM 1195 N TYR A 79 5.257 9.845 -1.805 1.00 0.00 N ATOM 1196 CA TYR A 79 6.314 10.841 -1.842 1.00 0.00 C ATOM 1197 C TYR A 79 7.173 10.684 -3.098 1.00 0.00 C ATOM 1198 O TYR A 79 7.509 9.567 -3.488 1.00 0.00 O ATOM 1199 CB TYR A 79 7.182 10.580 -0.609 1.00 0.00 C ATOM 1200 CG TYR A 79 8.606 11.127 -0.724 1.00 0.00 C ATOM 1201 CD1 TYR A 79 8.812 12.465 -0.993 1.00 0.00 C ATOM 1202 CD2 TYR A 79 9.685 10.282 -0.558 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.153 12.979 -1.100 1.00 0.00 C ATOM 1204 CE2 TYR A 79 11.026 10.797 -0.666 1.00 0.00 C ATOM 1205 CZ TYR A 79 11.193 12.120 -0.932 1.00 0.00 C ATOM 1206 OH TYR A 79 12.459 12.606 -1.034 1.00 0.00 O ATOM 0 H TYR A 79 5.517 8.963 -1.364 1.00 0.00 H new ATOM 0 HA TYR A 79 5.893 11.846 -1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.702 11.026 0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.230 9.506 -0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.968 13.126 -1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.524 9.235 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.328 14.024 -1.309 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.879 10.147 -0.539 1.00 0.00 H new ATOM 0 HH TYR A 79 13.098 11.913 -0.766 1.00 0.00 H new ATOM 1216 N ARG A 80 7.502 11.819 -3.697 1.00 0.00 N ATOM 1217 CA ARG A 80 8.315 11.821 -4.901 1.00 0.00 C ATOM 1218 C ARG A 80 9.463 12.823 -4.765 1.00 0.00 C ATOM 1219 O ARG A 80 9.307 13.999 -5.090 1.00 0.00 O ATOM 1220 CB ARG A 80 7.478 12.179 -6.130 1.00 0.00 C ATOM 1221 CG ARG A 80 6.618 13.416 -5.867 1.00 0.00 C ATOM 1222 CD ARG A 80 5.568 13.599 -6.964 1.00 0.00 C ATOM 1223 NE ARG A 80 6.231 13.854 -8.262 1.00 0.00 N ATOM 1224 CZ ARG A 80 6.541 12.898 -9.149 1.00 0.00 C ATOM 1225 NH1 ARG A 80 6.249 11.617 -8.882 1.00 0.00 N ATOM 1226 NH2 ARG A 80 7.143 13.222 -10.301 1.00 0.00 N ATOM 0 H ARG A 80 7.220 12.744 -3.371 1.00 0.00 H new ATOM 0 HA ARG A 80 8.718 10.817 -5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.135 12.362 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.839 11.337 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.125 13.321 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.253 14.300 -5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.944 12.708 -7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.909 14.430 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 80 6.467 14.818 -8.497 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.791 11.370 -8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.485 10.889 -9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.366 14.197 -10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.379 12.494 -10.976 1.00 0.00 H new ATOM 1240 N ALA A 81 10.591 12.322 -4.284 1.00 0.00 N ATOM 1241 CA ALA A 81 11.764 13.159 -4.101 1.00 0.00 C ATOM 1242 C ALA A 81 12.017 13.962 -5.378 1.00 0.00 C ATOM 1243 O ALA A 81 12.647 15.018 -5.338 1.00 0.00 O ATOM 1244 CB ALA A 81 12.960 12.285 -3.715 1.00 0.00 C ATOM 0 H ALA A 81 10.717 11.346 -4.015 1.00 0.00 H new ATOM 0 HA ALA A 81 11.605 13.870 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.840 12.913 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.741 11.759 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.151 11.560 -4.506 1.00 0.00 H new ATOM 1250 N ASP A 82 11.513 13.431 -6.482 1.00 0.00 N ATOM 1251 CA ASP A 82 11.676 14.085 -7.770 1.00 0.00 C ATOM 1252 C ASP A 82 11.402 15.582 -7.614 1.00 0.00 C ATOM 1253 O ASP A 82 12.216 16.411 -8.019 1.00 0.00 O ATOM 1254 CB ASP A 82 10.691 13.528 -8.799 1.00 0.00 C ATOM 1255 CG ASP A 82 11.329 13.005 -10.088 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.482 13.407 -10.354 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.649 12.214 -10.777 1.00 0.00 O ATOM 0 H ASP A 82 10.991 12.555 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 82 12.695 13.906 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.125 12.719 -8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.977 14.310 -9.056 1.00 0.00 H new ATOM 1262 N THR A 83 10.253 15.883 -7.027 1.00 0.00 N ATOM 1263 CA THR A 83 9.862 17.266 -6.814 1.00 0.00 C ATOM 1264 C THR A 83 9.647 17.535 -5.323 1.00 0.00 C ATOM 1265 O THR A 83 9.402 18.672 -4.923 1.00 0.00 O ATOM 1266 CB THR A 83 8.622 17.543 -7.666 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.661 16.600 -7.198 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.826 17.170 -9.136 1.00 0.00 C ATOM 0 H THR A 83 9.580 15.193 -6.692 1.00 0.00 H new ATOM 0 HA THR A 83 10.649 17.953 -7.126 1.00 0.00 H new ATOM 0 HB THR A 83 8.360 18.599 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.824 16.711 -7.696 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.916 17.386 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.652 17.750 -9.547 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.055 16.107 -9.213 1.00 0.00 H new ATOM 1276 N GLN A 84 9.747 16.470 -4.541 1.00 0.00 N ATOM 1277 CA GLN A 84 9.567 16.577 -3.104 1.00 0.00 C ATOM 1278 C GLN A 84 8.162 17.091 -2.782 1.00 0.00 C ATOM 1279 O GLN A 84 7.994 18.244 -2.389 1.00 0.00 O ATOM 1280 CB GLN A 84 10.636 17.477 -2.483 1.00 0.00 C ATOM 1281 CG GLN A 84 12.038 16.922 -2.741 1.00 0.00 C ATOM 1282 CD GLN A 84 12.891 16.974 -1.472 1.00 0.00 C ATOM 1283 OE1 GLN A 84 13.776 17.801 -1.322 1.00 0.00 O ATOM 1284 NE2 GLN A 84 12.577 16.049 -0.570 1.00 0.00 N ATOM 0 H GLN A 84 9.951 15.528 -4.876 1.00 0.00 H new ATOM 0 HA GLN A 84 9.678 15.584 -2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.557 18.482 -2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.466 17.562 -1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.966 15.893 -3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.521 17.497 -3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.825 15.387 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.088 16.002 0.311 1.00 0.00 H new ATOM 1293 N THR A 85 7.189 16.210 -2.959 1.00 0.00 N ATOM 1294 CA THR A 85 5.804 16.560 -2.693 1.00 0.00 C ATOM 1295 C THR A 85 4.955 15.297 -2.534 1.00 0.00 C ATOM 1296 O THR A 85 5.377 14.209 -2.922 1.00 0.00 O ATOM 1297 CB THR A 85 5.323 17.478 -3.819 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.045 17.928 -3.377 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.023 16.713 -5.109 1.00 0.00 C ATOM 0 H THR A 85 7.332 15.254 -3.284 1.00 0.00 H new ATOM 0 HA THR A 85 5.707 17.099 -1.751 1.00 0.00 H new ATOM 0 HB THR A 85 6.078 18.239 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.661 18.531 -4.047 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.685 17.411 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.926 16.208 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.243 15.975 -4.921 1.00 0.00 H new ATOM 1307 N TYR A 86 3.775 15.484 -1.962 1.00 0.00 N ATOM 1308 CA TYR A 86 2.863 14.373 -1.747 1.00 0.00 C ATOM 1309 C TYR A 86 1.688 14.431 -2.725 1.00 0.00 C ATOM 1310 O TYR A 86 0.974 15.431 -2.784 1.00 0.00 O ATOM 1311 CB TYR A 86 2.333 14.533 -0.321 1.00 0.00 C ATOM 1312 CG TYR A 86 1.293 15.645 -0.164 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.701 16.955 -0.020 1.00 0.00 C ATOM 1314 CD2 TYR A 86 -0.052 15.337 -0.167 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.722 18.001 0.127 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -1.031 16.383 -0.020 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.595 17.664 0.120 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.519 18.652 0.259 1.00 0.00 O ATOM 0 H TYR A 86 3.429 16.388 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 86 3.374 13.422 -1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.892 13.589 -0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.171 14.736 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.754 17.196 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.371 14.311 -0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.027 19.031 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.087 16.156 -0.021 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.419 18.264 0.235 1.00 0.00 H new ATOM 1328 N GLN A 87 1.523 13.346 -3.467 1.00 0.00 N ATOM 1329 CA GLN A 87 0.447 13.261 -4.439 1.00 0.00 C ATOM 1330 C GLN A 87 -0.724 12.460 -3.866 1.00 0.00 C ATOM 1331 O GLN A 87 -0.584 11.275 -3.568 1.00 0.00 O ATOM 1332 CB GLN A 87 0.940 12.648 -5.751 1.00 0.00 C ATOM 1333 CG GLN A 87 1.073 13.715 -6.840 1.00 0.00 C ATOM 1334 CD GLN A 87 -0.258 14.435 -7.067 1.00 0.00 C ATOM 1335 OE1 GLN A 87 -0.475 15.549 -6.620 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -1.134 13.738 -7.786 1.00 0.00 N ATOM 0 H GLN A 87 2.117 12.518 -3.414 1.00 0.00 H new ATOM 0 HA GLN A 87 0.100 14.271 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.904 12.165 -5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.246 11.874 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.838 14.438 -6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.403 13.252 -7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.888 12.810 -8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.052 14.132 -7.993 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.883 13.157 -3.726 1.00 0.00 N ATOM 1346 CA PRO A 88 -3.078 12.524 -3.193 1.00 0.00 C ATOM 1347 C PRO A 88 -3.718 11.601 -4.232 1.00 0.00 C ATOM 1348 O PRO A 88 -4.279 12.070 -5.222 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.983 13.674 -2.782 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.465 14.897 -3.521 1.00 0.00 C ATOM 1351 CD PRO A 88 -2.087 14.562 -4.068 1.00 0.00 C ATOM 0 HA PRO A 88 -2.868 11.877 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -5.020 13.468 -3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.953 13.828 -1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.142 15.168 -4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.411 15.754 -2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.040 14.718 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.319 15.194 -3.621 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.614 10.307 -3.971 1.00 0.00 N ATOM 1360 CA TYR A 89 -4.176 9.314 -4.871 1.00 0.00 C ATOM 1361 C TYR A 89 -5.523 8.805 -4.354 1.00 0.00 C ATOM 1362 O TYR A 89 -5.991 9.237 -3.301 1.00 0.00 O ATOM 1363 CB TYR A 89 -3.180 8.153 -4.894 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.902 8.445 -5.682 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.764 9.642 -6.355 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.886 7.511 -5.720 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.561 9.917 -7.097 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.317 7.786 -6.462 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.421 8.975 -7.114 1.00 0.00 C ATOM 1370 OH TYR A 89 1.557 9.235 -7.814 1.00 0.00 O ATOM 0 H TYR A 89 -3.149 9.922 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.341 9.742 -5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.912 7.897 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.668 7.278 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.559 10.373 -6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.993 6.574 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.441 10.850 -7.628 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.119 7.064 -6.500 1.00 0.00 H new ATOM 0 HH TYR A 89 2.170 8.475 -7.736 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.108 7.894 -5.118 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.392 7.322 -4.750 1.00 0.00 C ATOM 1382 C ASN A 90 -7.190 5.873 -4.302 1.00 0.00 C ATOM 1383 O ASN A 90 -6.089 5.334 -4.408 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.355 7.319 -5.939 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.419 8.408 -5.785 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -9.131 9.555 -5.485 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.660 7.987 -6.008 1.00 0.00 N ATOM 0 H ASN A 90 -5.716 7.538 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.813 7.927 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.799 7.477 -6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.836 6.344 -6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.441 8.639 -5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.831 7.012 -6.256 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.270 5.283 -3.810 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.224 3.907 -3.346 1.00 0.00 C ATOM 1396 C LYS A 91 -7.989 2.978 -4.539 1.00 0.00 C ATOM 1397 O LYS A 91 -7.334 1.946 -4.406 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.483 3.571 -2.543 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.745 3.985 -3.303 1.00 0.00 C ATOM 1400 CD LYS A 91 -11.967 3.218 -2.796 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.022 4.175 -2.237 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.948 4.609 -3.307 1.00 0.00 N ATOM 0 H LYS A 91 -9.181 5.733 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.388 3.763 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.513 2.501 -2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.451 4.080 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.909 5.056 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.610 3.798 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.396 2.632 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.663 2.514 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.582 3.684 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.535 5.044 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.657 5.258 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.412 5.096 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.426 3.778 -3.710 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.538 3.378 -5.677 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.396 2.594 -6.892 1.00 0.00 C ATOM 1418 C ASP A 92 -6.912 2.324 -7.149 1.00 0.00 C ATOM 1419 O ASP A 92 -6.551 1.274 -7.679 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.956 3.346 -8.101 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.471 2.456 -9.234 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -9.527 1.228 -9.010 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -9.798 3.025 -10.298 1.00 0.00 O ATOM 0 H ASP A 92 -9.082 4.234 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.947 1.663 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.770 3.988 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.178 3.998 -8.497 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.091 3.289 -6.761 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.655 3.168 -6.943 1.00 0.00 C ATOM 1430 C TRP A 93 -4.121 2.215 -5.872 1.00 0.00 C ATOM 1431 O TRP A 93 -3.122 1.531 -6.087 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.981 4.541 -6.910 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.453 4.483 -6.843 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.579 4.578 -7.854 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.651 4.313 -5.656 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.277 4.481 -7.407 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.322 4.314 -6.028 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -2.035 4.162 -4.312 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.730 4.169 -5.115 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.972 4.017 -3.412 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.371 4.017 -3.771 1.00 0.00 C ATOM 0 H TRP A 93 -6.393 4.158 -6.321 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.424 2.753 -7.924 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.275 5.100 -7.799 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.351 5.096 -6.048 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -1.858 4.713 -8.888 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.564 4.524 -7.983 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.068 4.158 -3.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.763 4.174 -5.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.212 3.897 -2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.134 3.900 -3.016 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.812 2.199 -4.741 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.420 1.341 -3.637 1.00 0.00 C ATOM 1454 C ILE A 94 -4.835 -0.099 -3.943 1.00 0.00 C ATOM 1455 O ILE A 94 -4.021 -1.017 -3.851 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.982 1.875 -2.317 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.684 3.367 -2.159 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.467 1.058 -1.131 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.590 3.998 -1.099 1.00 0.00 C ATOM 0 H ILE A 94 -5.641 2.767 -4.566 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.336 1.343 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.066 1.764 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.640 3.505 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.828 3.873 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.882 1.459 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.773 0.018 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.379 1.114 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.358 5.059 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.633 3.879 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.426 3.506 -0.140 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.101 -0.253 -4.301 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.634 -1.566 -4.622 1.00 0.00 C ATOM 1473 C LYS A 95 -5.674 -2.282 -5.575 1.00 0.00 C ATOM 1474 O LYS A 95 -5.659 -3.511 -5.639 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.061 -1.449 -5.161 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.980 -0.777 -4.138 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.445 -0.881 -4.566 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.678 -0.174 -5.902 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.038 -0.460 -6.410 1.00 0.00 N ATOM 0 H LYS A 95 -6.774 0.510 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.707 -2.177 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.058 -0.873 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.444 -2.440 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.848 -1.245 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.703 0.271 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.729 -1.930 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.083 -0.439 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.548 0.901 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.935 -0.503 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.179 0.028 -7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.149 -1.485 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.743 -0.124 -5.723 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.897 -1.484 -6.291 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.937 -2.026 -7.237 1.00 0.00 C ATOM 1495 C GLU A 96 -2.687 -2.517 -6.503 1.00 0.00 C ATOM 1496 O GLU A 96 -2.208 -3.621 -6.756 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.574 -0.992 -8.305 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.794 -0.634 -9.157 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.027 -1.681 -10.248 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -5.521 -2.772 -9.891 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -4.706 -1.366 -11.414 1.00 0.00 O ATOM 0 H GLU A 96 -4.912 -0.466 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.396 -2.876 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.182 -0.093 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.783 -1.385 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.677 -0.562 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.649 0.345 -9.613 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.195 -1.672 -5.609 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.011 -2.006 -4.836 1.00 0.00 C ATOM 1510 C LYS A 97 -1.324 -3.188 -3.916 1.00 0.00 C ATOM 1511 O LYS A 97 -0.745 -4.263 -4.063 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.488 -0.772 -4.097 1.00 0.00 C ATOM 1513 CG LYS A 97 0.883 -0.353 -4.631 1.00 0.00 C ATOM 1514 CD LYS A 97 0.803 0.019 -6.112 1.00 0.00 C ATOM 1515 CE LYS A 97 0.122 1.376 -6.301 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.734 2.111 -7.431 1.00 0.00 N ATOM 0 H LYS A 97 -2.595 -0.757 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.202 -2.321 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.194 0.051 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.417 -0.985 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.256 0.496 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.595 -1.167 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.806 0.049 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.250 -0.748 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.942 1.232 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.210 1.964 -5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.561 3.130 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.759 1.933 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.313 1.786 -8.325 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.238 -2.948 -2.988 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.635 -3.979 -2.044 1.00 0.00 C ATOM 1532 C ILE A 98 -2.695 -5.328 -2.764 1.00 0.00 C ATOM 1533 O ILE A 98 -2.193 -6.330 -2.257 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.942 -3.595 -1.348 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.557 -4.799 -0.633 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.920 -2.953 -2.335 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.635 -4.357 0.359 1.00 0.00 C ATOM 0 H ILE A 98 -2.715 -2.054 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.894 -4.073 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.717 -2.849 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.990 -5.480 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.778 -5.351 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.841 -2.689 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.472 -2.054 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.144 -3.658 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.056 -5.233 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.194 -3.696 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.424 -3.827 -0.174 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.313 -5.310 -3.936 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.445 -6.519 -4.731 1.00 0.00 C ATOM 1551 C TYR A 99 -2.073 -7.091 -5.091 1.00 0.00 C ATOM 1552 O TYR A 99 -1.790 -8.256 -4.813 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.163 -6.102 -6.016 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.320 -7.231 -7.036 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.207 -7.758 -7.659 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.575 -7.724 -7.332 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.355 -8.822 -8.619 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.723 -8.787 -8.292 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.606 -9.284 -8.888 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.746 -10.288 -9.794 1.00 0.00 O ATOM 0 H TYR A 99 -3.728 -4.477 -4.354 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.989 -7.285 -4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.150 -5.718 -5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.612 -5.283 -6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.225 -7.373 -7.427 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.446 -7.312 -6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.492 -9.243 -9.114 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.699 -9.181 -8.533 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.695 -10.517 -9.885 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.256 -6.246 -5.703 1.00 0.00 N ATOM 1571 CA VAL A 100 0.080 -6.654 -6.103 1.00 0.00 C ATOM 1572 C VAL A 100 0.889 -7.027 -4.859 1.00 0.00 C ATOM 1573 O VAL A 100 1.811 -7.837 -4.934 1.00 0.00 O ATOM 1574 CB VAL A 100 0.736 -5.550 -6.935 1.00 0.00 C ATOM 1575 CG1 VAL A 100 2.061 -6.029 -7.533 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.210 -5.050 -8.027 1.00 0.00 C ATOM 0 H VAL A 100 -1.494 -5.281 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 100 0.036 -7.539 -6.738 1.00 0.00 H new ATOM 0 HB VAL A 100 0.951 -4.713 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.507 -5.226 -8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.741 -6.313 -6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.880 -6.890 -8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.281 -4.266 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.472 -5.876 -8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.115 -4.651 -7.569 1.00 0.00 H new ATOM 1586 N LEU A 101 0.514 -6.417 -3.744 1.00 0.00 N ATOM 1587 CA LEU A 101 1.193 -6.675 -2.486 1.00 0.00 C ATOM 1588 C LEU A 101 0.983 -8.138 -2.088 1.00 0.00 C ATOM 1589 O LEU A 101 1.842 -8.739 -1.444 1.00 0.00 O ATOM 1590 CB LEU A 101 0.740 -5.677 -1.418 1.00 0.00 C ATOM 1591 CG LEU A 101 0.936 -6.114 0.035 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.196 -5.483 0.632 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.309 -5.810 0.871 1.00 0.00 C ATOM 0 H LEU A 101 -0.251 -5.745 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 101 2.267 -6.525 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.279 -4.742 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.318 -5.464 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 101 1.079 -7.194 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.312 -5.810 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.067 -5.792 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.108 -4.397 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.144 -6.130 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.507 -4.738 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.164 -6.345 0.458 1.00 0.00 H new ATOM 1605 N LEU A 102 -0.163 -8.668 -2.488 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.496 -10.048 -2.182 1.00 0.00 C ATOM 1607 C LEU A 102 0.162 -10.968 -3.212 1.00 0.00 C ATOM 1608 O LEU A 102 0.465 -12.122 -2.915 1.00 0.00 O ATOM 1609 CB LEU A 102 -2.013 -10.224 -2.081 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.697 -9.498 -0.921 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.668 -8.998 0.096 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.593 -8.369 -1.432 1.00 0.00 C ATOM 0 H LEU A 102 -0.873 -8.166 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.100 -10.327 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.461 -9.881 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.230 -11.289 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.341 -10.210 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.180 -8.486 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.109 -9.845 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.980 -8.307 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.067 -7.870 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.991 -7.650 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.361 -8.782 -2.087 1.00 0.00 H new ATOM 1624 N ARG A 103 0.363 -10.422 -4.402 1.00 0.00 N ATOM 1625 CA ARG A 103 0.980 -11.179 -5.478 1.00 0.00 C ATOM 1626 C ARG A 103 2.368 -11.667 -5.056 1.00 0.00 C ATOM 1627 O ARG A 103 2.642 -12.866 -5.079 1.00 0.00 O ATOM 1628 CB ARG A 103 1.109 -10.331 -6.745 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.260 -9.829 -7.210 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.111 -10.978 -7.753 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.661 -11.341 -9.115 1.00 0.00 N ATOM 1632 CZ ARG A 103 0.274 -12.265 -9.376 1.00 0.00 C ATOM 1633 NH1 ARG A 103 0.863 -12.926 -8.370 1.00 0.00 N ATOM 1634 NH2 ARG A 103 0.619 -12.529 -10.644 1.00 0.00 N ATOM 0 H ARG A 103 0.110 -9.464 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 103 0.339 -12.035 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.766 -9.482 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.572 -10.921 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.777 -9.350 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.130 -9.071 -7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.034 -11.842 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.161 -10.686 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.089 -10.858 -9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.600 -12.726 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.575 -13.629 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.170 -12.027 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.331 -13.232 -10.843 1.00 0.00 H new ATOM 1648 N ARG A 104 3.207 -10.713 -4.682 1.00 0.00 N ATOM 1649 CA ARG A 104 4.559 -11.030 -4.255 1.00 0.00 C ATOM 1650 C ARG A 104 4.534 -11.771 -2.917 1.00 0.00 C ATOM 1651 O ARG A 104 5.195 -12.796 -2.758 1.00 0.00 O ATOM 1652 CB ARG A 104 5.403 -9.762 -4.112 1.00 0.00 C ATOM 1653 CG ARG A 104 4.817 -8.830 -3.050 1.00 0.00 C ATOM 1654 CD ARG A 104 5.368 -7.410 -3.202 1.00 0.00 C ATOM 1655 NE ARG A 104 6.493 -7.201 -2.263 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.040 -6.006 -2.001 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.570 -4.907 -2.606 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.058 -5.911 -1.134 1.00 0.00 N ATOM 0 H ARG A 104 2.977 -9.719 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 104 5.006 -11.667 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.425 -10.029 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.451 -9.243 -5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.730 -8.813 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.053 -9.211 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.704 -7.249 -4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.580 -6.682 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 104 6.876 -8.017 -1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.796 -4.980 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.986 -3.997 -2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.416 -6.748 -0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.475 -5.002 -0.934 1.00 0.00 H new ATOM 1672 N GLN A 105 3.763 -11.223 -1.988 1.00 0.00 N ATOM 1673 CA GLN A 105 3.643 -11.820 -0.669 1.00 0.00 C ATOM 1674 C GLN A 105 3.534 -13.342 -0.782 1.00 0.00 C ATOM 1675 O GLN A 105 4.123 -14.071 0.014 1.00 0.00 O ATOM 1676 CB GLN A 105 2.447 -11.239 0.088 1.00 0.00 C ATOM 1677 CG GLN A 105 2.881 -10.093 1.004 1.00 0.00 C ATOM 1678 CD GLN A 105 2.344 -10.291 2.423 1.00 0.00 C ATOM 1679 OE1 GLN A 105 2.429 -11.361 3.003 1.00 0.00 O ATOM 1680 NE2 GLN A 105 1.788 -9.203 2.948 1.00 0.00 N ATOM 0 H GLN A 105 3.216 -10.373 -2.123 1.00 0.00 H new ATOM 0 HA GLN A 105 4.542 -11.582 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.703 -10.879 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.971 -12.022 0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.969 -10.034 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.520 -9.146 0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.750 -8.339 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.400 -9.233 3.891 1.00 0.00 H new ATOM 1689 N ALA A 106 2.776 -13.776 -1.778 1.00 0.00 N ATOM 1690 CA ALA A 106 2.582 -15.198 -2.006 1.00 0.00 C ATOM 1691 C ALA A 106 3.944 -15.872 -2.183 1.00 0.00 C ATOM 1692 O ALA A 106 4.459 -16.492 -1.254 1.00 0.00 O ATOM 1693 CB ALA A 106 1.669 -15.402 -3.216 1.00 0.00 C ATOM 0 H ALA A 106 2.289 -13.168 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 106 2.094 -15.661 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.524 -16.469 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.705 -14.930 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.127 -14.953 -4.097 1.00 0.00 H new ATOM 1699 N GLN A 107 4.488 -15.728 -3.382 1.00 0.00 N ATOM 1700 CA GLN A 107 5.780 -16.315 -3.693 1.00 0.00 C ATOM 1701 C GLN A 107 6.588 -15.376 -4.590 1.00 0.00 C ATOM 1702 O GLN A 107 7.510 -14.707 -4.125 1.00 0.00 O ATOM 1703 CB GLN A 107 5.615 -17.689 -4.345 1.00 0.00 C ATOM 1704 CG GLN A 107 5.350 -18.768 -3.292 1.00 0.00 C ATOM 1705 CD GLN A 107 6.550 -19.705 -3.153 1.00 0.00 C ATOM 1706 OE1 GLN A 107 7.555 -19.382 -2.541 1.00 0.00 O ATOM 1707 NE2 GLN A 107 6.391 -20.882 -3.753 1.00 0.00 N ATOM 0 H GLN A 107 4.057 -15.213 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 107 6.327 -16.455 -2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.790 -17.661 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.514 -17.939 -4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.137 -18.299 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.466 -19.342 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.524 -21.089 -4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.136 -21.578 -3.717 1.00 0.00 H new ATOM 1716 N GLN A 108 6.213 -15.355 -5.861 1.00 0.00 N ATOM 1717 CA GLN A 108 6.891 -14.508 -6.828 1.00 0.00 C ATOM 1718 C GLN A 108 8.256 -15.100 -7.186 1.00 0.00 C ATOM 1719 O GLN A 108 8.498 -15.457 -8.338 1.00 0.00 O ATOM 1720 CB GLN A 108 7.035 -13.080 -6.300 1.00 0.00 C ATOM 1721 CG GLN A 108 6.576 -12.060 -7.344 1.00 0.00 C ATOM 1722 CD GLN A 108 5.124 -12.312 -7.755 1.00 0.00 C ATOM 1723 OE1 GLN A 108 4.419 -13.121 -7.174 1.00 0.00 O ATOM 1724 NE2 GLN A 108 4.718 -11.575 -8.785 1.00 0.00 N ATOM 0 H GLN A 108 5.448 -15.911 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 108 6.285 -14.466 -7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.446 -12.964 -5.390 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.075 -12.890 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 108 6.674 -11.052 -6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.221 -12.116 -8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.360 -10.916 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.764 -11.668 -9.134 1.00 0.00 H new ATOM 1733 N ALA A 109 9.111 -15.186 -6.178 1.00 0.00 N ATOM 1734 CA ALA A 109 10.445 -15.729 -6.373 1.00 0.00 C ATOM 1735 C ALA A 109 11.164 -15.799 -5.024 1.00 0.00 C ATOM 1736 O ALA A 109 11.588 -16.873 -4.598 1.00 0.00 O ATOM 1737 CB ALA A 109 11.201 -14.874 -7.392 1.00 0.00 C ATOM 0 H ALA A 109 8.906 -14.889 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 109 10.392 -16.742 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.201 -15.281 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.665 -14.880 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.276 -13.851 -7.024 1.00 0.00 H new ATOM 1743 N GLY A 110 11.279 -14.642 -4.390 1.00 0.00 N ATOM 1744 CA GLY A 110 11.940 -14.559 -3.098 1.00 0.00 C ATOM 1745 C GLY A 110 13.440 -14.309 -3.265 1.00 0.00 C ATOM 1746 O GLY A 110 14.243 -15.234 -3.153 1.00 0.00 O ATOM 0 H GLY A 110 10.926 -13.754 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.497 -13.755 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.781 -15.484 -2.544 1.00 0.00 H new ATOM 1750 N LYS A 111 13.773 -13.054 -3.529 1.00 0.00 N ATOM 1751 CA LYS A 111 15.162 -12.671 -3.712 1.00 0.00 C ATOM 1752 C LYS A 111 15.705 -13.328 -4.982 1.00 0.00 C ATOM 1753 O LYS A 111 16.891 -13.213 -5.287 1.00 0.00 O ATOM 1754 CB LYS A 111 15.976 -12.993 -2.457 1.00 0.00 C ATOM 1755 CG LYS A 111 15.732 -11.952 -1.363 1.00 0.00 C ATOM 1756 CD LYS A 111 17.031 -11.609 -0.631 1.00 0.00 C ATOM 1757 CE LYS A 111 17.502 -10.196 -0.981 1.00 0.00 C ATOM 1758 NZ LYS A 111 17.915 -9.470 0.240 1.00 0.00 N ATOM 0 H LYS A 111 13.104 -12.289 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 111 15.245 -11.593 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.707 -13.983 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.037 -13.023 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.310 -11.049 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.999 -12.332 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.878 -11.689 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 111 17.804 -12.330 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.336 -10.247 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.700 -9.652 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.232 -8.513 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.109 -9.405 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.695 -9.981 0.701 1.00 0.00 H new TER 1772 LYS A 111