USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 793 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 95 ASN : amide:sc= -1.2 K(o=-0.69,f=-4.3!) USER MOD Set 1.2: A 96 THR OG1 : rot 71:sc= 0.406 USER MOD Set 1.3: A 98 THR OG1 : rot 172:sc= 0.105 USER MOD Set 2.1: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 71 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Set 4.1: A 48 TYR OH : rot 1:sc= -0.484 USER MOD Set 4.2: A 53 LYS NZ :NH3+ -151:sc= 1.22 (180deg=1.12) USER MOD Set 5.1: A 52 THR OG1 : rot 100:sc= 1.16 USER MOD Set 5.2: A 54 THR OG1 : rot 180:sc= 0.992 USER MOD Set 6.1: A 35 GLN : amide:sc= -0.11 X(o=-0.11,f=0.047) USER MOD Set 6.2: A 38 ASN : amide:sc=-0.00173 X(o=-0.11,f=0.047) 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 3 HIS : no HE2:sc= -0.769! C(o=-0.77!,f=-5.4!) USER MOD Single : A 4 MET CE :methyl 163:sc= -0.518 (180deg=-0.957) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0.603 (180deg=0.492) USER MOD Single : A 11 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0351 (180deg=-0.231) USER MOD Single : A 34 LYS NZ :NH3+ -108:sc= -0.0295 (180deg=-0.854) USER MOD Single : A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 47 THR OG1 : rot 160:sc= -1.19 USER MOD Single : A 55 TYR OH : rot 69:sc= 0.0265 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -131:sc= 1.25 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= 0.144 (180deg=-0.951!) USER MOD Single : A 84 THR OG1 : rot 150:sc= -1.43! USER MOD Single : A 85 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= 0.252 K(o=0.25,f=-5.8!) USER MOD Single : A 99 THR OG1 : rot 36:sc= 0.00215 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 102 LYS NZ :NH3+ -160:sc= 0.959 (180deg=0.307) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.915 9.593 2.439 1.00 4.75 N ATOM 2 CA GLY A 1 -40.475 9.608 2.107 1.00 3.82 C ATOM 3 C GLY A 1 -40.102 8.480 1.173 1.00 2.64 C ATOM 4 O GLY A 1 -40.535 7.341 1.365 1.00 2.97 O ATOM 0 H1 GLY A 1 -42.131 10.382 3.081 1.00 4.75 H new ATOM 0 H2 GLY A 1 -42.473 9.693 1.567 1.00 4.75 H new ATOM 0 H3 GLY A 1 -42.155 8.693 2.902 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -40.218 10.562 1.646 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -39.890 9.530 3.023 1.00 3.82 H new ATOM 10 N SER A 2 -39.331 8.799 0.146 1.00 1.83 N ATOM 11 CA SER A 2 -38.893 7.803 -0.821 1.00 1.07 C ATOM 12 C SER A 2 -37.563 7.193 -0.395 1.00 0.80 C ATOM 13 O SER A 2 -36.735 7.863 0.222 1.00 0.96 O ATOM 14 CB SER A 2 -38.757 8.442 -2.206 1.00 1.95 C ATOM 15 OG SER A 2 -39.999 8.958 -2.656 1.00 2.45 O ATOM 0 H SER A 2 -38.994 9.743 -0.041 1.00 1.83 H new ATOM 0 HA SER A 2 -39.640 7.010 -0.866 1.00 1.07 H new ATOM 0 HB2 SER A 2 -38.019 9.243 -2.169 1.00 1.95 H new ATOM 0 HB3 SER A 2 -38.389 7.702 -2.916 1.00 1.95 H new ATOM 0 HG SER A 2 -39.884 9.362 -3.541 1.00 2.45 H new ATOM 21 N HIS A 3 -37.360 5.927 -0.727 1.00 0.62 N ATOM 22 CA HIS A 3 -36.119 5.250 -0.380 1.00 0.44 C ATOM 23 C HIS A 3 -35.297 4.991 -1.649 1.00 0.40 C ATOM 24 O HIS A 3 -35.824 4.482 -2.637 1.00 0.53 O ATOM 25 CB HIS A 3 -36.382 3.937 0.404 1.00 0.55 C ATOM 26 CG HIS A 3 -37.295 2.930 -0.260 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.326 1.602 0.107 1.00 1.55 N ATOM 28 CD2 HIS A 3 -38.236 3.060 -1.228 1.00 1.91 C ATOM 29 CE1 HIS A 3 -38.235 0.967 -0.604 1.00 2.22 C ATOM 30 NE2 HIS A 3 -38.808 1.825 -1.422 1.00 2.50 N ATOM 0 H HIS A 3 -38.033 5.351 -1.233 1.00 0.62 H new ATOM 0 HA HIS A 3 -35.545 5.899 0.281 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -35.423 3.455 0.595 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -36.807 4.197 1.373 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -36.735 1.176 0.821 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -38.490 3.970 -1.752 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -38.471 -0.084 -0.528 1.00 2.22 H new ATOM 39 N MET A 4 -34.015 5.351 -1.635 1.00 0.38 N ATOM 40 CA MET A 4 -33.182 5.199 -2.823 1.00 0.41 C ATOM 41 C MET A 4 -32.289 3.973 -2.686 1.00 0.37 C ATOM 42 O MET A 4 -31.808 3.664 -1.593 1.00 0.43 O ATOM 43 CB MET A 4 -32.330 6.463 -3.072 1.00 0.54 C ATOM 44 CG MET A 4 -33.155 7.737 -3.213 1.00 1.29 C ATOM 45 SD MET A 4 -32.174 9.155 -3.749 1.00 1.92 S ATOM 46 CE MET A 4 -31.644 8.599 -5.369 1.00 2.06 C ATOM 0 H MET A 4 -33.537 5.745 -0.825 1.00 0.38 H new ATOM 0 HA MET A 4 -33.838 5.063 -3.683 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.627 6.585 -2.248 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.739 6.320 -3.977 1.00 0.54 H new ATOM 0 HG2 MET A 4 -33.958 7.566 -3.930 1.00 1.29 H new ATOM 0 HG3 MET A 4 -33.625 7.967 -2.257 1.00 1.29 H new ATOM 0 HE1 MET A 4 -31.293 9.452 -5.950 1.00 2.06 H new ATOM 0 HE2 MET A 4 -30.835 7.877 -5.259 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.482 8.129 -5.884 1.00 2.06 H new ATOM 56 N GLN A 5 -32.149 3.224 -3.772 1.00 0.34 N ATOM 57 CA GLN A 5 -31.322 2.035 -3.776 1.00 0.33 C ATOM 58 C GLN A 5 -29.859 2.404 -4.024 1.00 0.29 C ATOM 59 O GLN A 5 -29.523 2.981 -5.063 1.00 0.49 O ATOM 60 CB GLN A 5 -31.830 1.068 -4.852 1.00 0.44 C ATOM 61 CG GLN A 5 -31.118 -0.276 -4.890 1.00 0.53 C ATOM 62 CD GLN A 5 -31.722 -1.208 -5.921 1.00 1.07 C ATOM 63 OE1 GLN A 5 -32.636 -1.979 -5.622 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.219 -1.143 -7.144 1.00 1.53 N ATOM 0 H GLN A 5 -32.602 3.424 -4.664 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.384 1.547 -2.803 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.894 0.895 -4.692 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.728 1.545 -5.827 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -30.063 -0.121 -5.115 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -31.169 -0.742 -3.906 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -30.462 -0.491 -7.350 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -31.588 -1.745 -7.880 1.00 1.53 H new ATOM 73 N TYR A 6 -29.006 2.100 -3.053 1.00 0.20 N ATOM 74 CA TYR A 6 -27.579 2.402 -3.167 1.00 0.21 C ATOM 75 C TYR A 6 -26.812 1.145 -3.548 1.00 0.23 C ATOM 76 O TYR A 6 -27.230 0.028 -3.229 1.00 0.30 O ATOM 77 CB TYR A 6 -27.008 2.992 -1.853 1.00 0.28 C ATOM 78 CG TYR A 6 -27.337 4.455 -1.641 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.420 5.450 -1.964 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.559 4.842 -1.108 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.713 6.784 -1.767 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.861 6.179 -0.909 1.00 0.83 C ATOM 83 CZ TYR A 6 -27.931 7.144 -1.238 1.00 0.43 C ATOM 84 OH TYR A 6 -28.223 8.477 -1.041 1.00 0.53 O ATOM 0 H TYR A 6 -29.274 1.646 -2.180 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.461 3.155 -3.947 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.394 2.418 -1.011 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -25.925 2.870 -1.852 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.461 5.173 -2.377 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.286 4.088 -0.844 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -25.989 7.542 -2.027 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.818 6.465 -0.499 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.123 8.562 -0.662 1.00 0.53 H new ATOM 94 N LYS A 7 -25.684 1.333 -4.216 1.00 0.26 N ATOM 95 CA LYS A 7 -24.860 0.224 -4.667 1.00 0.30 C ATOM 96 C LYS A 7 -23.494 0.274 -3.996 1.00 0.23 C ATOM 97 O LYS A 7 -22.910 1.345 -3.868 1.00 0.31 O ATOM 98 CB LYS A 7 -24.676 0.294 -6.200 1.00 0.50 C ATOM 99 CG LYS A 7 -23.684 -0.722 -6.763 1.00 0.98 C ATOM 100 CD LYS A 7 -23.685 -0.742 -8.281 1.00 1.30 C ATOM 101 CE LYS A 7 -22.709 -1.782 -8.794 1.00 1.94 C ATOM 102 NZ LYS A 7 -22.864 -2.049 -10.251 1.00 2.57 N ATOM 0 H LYS A 7 -25.316 2.253 -4.459 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.358 -0.708 -4.400 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -25.644 0.142 -6.677 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -24.343 1.296 -6.468 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -22.682 -0.486 -6.405 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.931 -1.715 -6.388 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.688 -0.962 -8.648 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.414 0.242 -8.665 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -21.691 -1.447 -8.597 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -22.851 -2.711 -8.242 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -22.324 -2.900 -10.507 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -23.869 -2.198 -10.472 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -22.507 -1.236 -10.793 1.00 2.57 H new ATOM 116 N LEU A 8 -23.006 -0.871 -3.541 1.00 0.22 N ATOM 117 CA LEU A 8 -21.661 -0.932 -2.971 1.00 0.20 C ATOM 118 C LEU A 8 -20.788 -1.879 -3.777 1.00 0.17 C ATOM 119 O LEU A 8 -21.255 -2.915 -4.252 1.00 0.25 O ATOM 120 CB LEU A 8 -21.675 -1.392 -1.508 1.00 0.28 C ATOM 121 CG LEU A 8 -20.345 -1.272 -0.756 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.963 0.184 -0.501 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.445 -2.038 0.545 1.00 0.33 C ATOM 0 H LEU A 8 -23.509 -1.759 -3.553 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.255 0.079 -3.010 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.427 -0.812 -0.972 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.995 -2.434 -1.478 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.556 -1.698 -1.375 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -19.014 0.223 0.034 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.864 0.706 -1.453 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.737 0.664 0.098 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.503 -1.958 1.087 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.249 -1.622 1.152 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.655 -3.087 0.335 1.00 0.33 H new ATOM 135 N ILE A 9 -19.531 -1.505 -3.941 1.00 0.15 N ATOM 136 CA ILE A 9 -18.566 -2.334 -4.639 1.00 0.14 C ATOM 137 C ILE A 9 -17.382 -2.590 -3.723 1.00 0.13 C ATOM 138 O ILE A 9 -16.687 -1.652 -3.319 1.00 0.17 O ATOM 139 CB ILE A 9 -18.075 -1.676 -5.959 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.246 -1.519 -6.955 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.943 -2.499 -6.585 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.865 -0.758 -8.210 1.00 0.62 C ATOM 0 H ILE A 9 -19.153 -0.623 -3.596 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.054 -3.271 -4.906 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.688 -0.685 -5.724 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.612 -2.507 -7.234 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -20.068 -1.002 -6.460 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.613 -2.022 -7.508 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.107 -2.557 -5.888 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.303 -3.504 -6.805 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.731 -0.683 -8.867 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.526 0.242 -7.940 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.063 -1.286 -8.726 1.00 0.62 H new ATOM 154 N LEU A 10 -17.199 -3.842 -3.321 1.00 0.12 N ATOM 155 CA LEU A 10 -16.079 -4.176 -2.457 1.00 0.13 C ATOM 156 C LEU A 10 -14.876 -4.473 -3.322 1.00 0.15 C ATOM 157 O LEU A 10 -14.872 -5.447 -4.073 1.00 0.25 O ATOM 158 CB LEU A 10 -16.343 -5.375 -1.515 1.00 0.14 C ATOM 159 CG LEU A 10 -17.555 -5.307 -0.567 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.761 -3.914 -0.025 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.823 -5.815 -1.242 1.00 0.19 C ATOM 0 H LEU A 10 -17.799 -4.627 -3.574 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.911 -3.316 -1.809 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.455 -6.265 -2.134 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.452 -5.521 -0.905 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.336 -5.964 0.275 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.625 -3.906 0.640 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.875 -3.604 0.529 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.932 -3.224 -0.851 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.657 -5.752 -0.543 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.038 -5.205 -2.119 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.682 -6.852 -1.547 1.00 0.19 H new ATOM 173 N ASN A 11 -13.907 -3.580 -3.292 1.00 0.15 N ATOM 174 CA ASN A 11 -12.698 -3.758 -4.069 1.00 0.18 C ATOM 175 C ASN A 11 -11.581 -4.196 -3.147 1.00 0.20 C ATOM 176 O ASN A 11 -10.881 -3.370 -2.560 1.00 0.24 O ATOM 177 CB ASN A 11 -12.341 -2.449 -4.780 1.00 0.24 C ATOM 178 CG ASN A 11 -11.352 -2.631 -5.921 1.00 1.01 C ATOM 179 OD1 ASN A 11 -10.486 -3.507 -5.888 1.00 1.96 O ATOM 180 ND2 ASN A 11 -11.478 -1.791 -6.940 1.00 1.33 N ATOM 0 H ASN A 11 -13.934 -2.724 -2.738 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.850 -4.525 -4.829 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -13.253 -1.995 -5.168 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.922 -1.752 -4.054 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -10.844 -1.856 -7.736 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.209 -1.080 -6.927 1.00 1.33 H new ATOM 187 N GLY A 12 -11.478 -5.502 -2.952 1.00 0.21 N ATOM 188 CA GLY A 12 -10.465 -6.022 -2.063 1.00 0.26 C ATOM 189 C GLY A 12 -9.556 -7.036 -2.716 1.00 0.39 C ATOM 190 O GLY A 12 -9.614 -7.264 -3.924 1.00 0.91 O ATOM 0 H GLY A 12 -12.073 -6.205 -3.390 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.863 -5.195 -1.687 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.950 -6.481 -1.201 1.00 0.26 H new ATOM 194 N LYS A 13 -8.708 -7.637 -1.906 1.00 0.44 N ATOM 195 CA LYS A 13 -7.741 -8.617 -2.380 1.00 0.56 C ATOM 196 C LYS A 13 -8.368 -9.997 -2.572 1.00 0.66 C ATOM 197 O LYS A 13 -8.352 -10.544 -3.671 1.00 0.89 O ATOM 198 CB LYS A 13 -6.557 -8.681 -1.406 1.00 0.76 C ATOM 199 CG LYS A 13 -6.997 -8.607 0.035 1.00 1.17 C ATOM 200 CD LYS A 13 -5.920 -8.005 0.922 1.00 1.63 C ATOM 201 CE LYS A 13 -6.359 -7.927 2.380 1.00 2.41 C ATOM 202 NZ LYS A 13 -6.353 -9.258 3.051 1.00 3.26 N ATOM 0 H LYS A 13 -8.667 -7.463 -0.902 1.00 0.44 H new ATOM 0 HA LYS A 13 -7.385 -8.298 -3.360 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.006 -9.607 -1.568 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -5.871 -7.861 -1.617 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -7.905 -8.008 0.108 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -7.245 -9.607 0.391 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -5.013 -8.604 0.848 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -5.672 -7.006 0.564 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -5.697 -7.249 2.919 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -7.362 -7.502 2.432 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -6.659 -9.150 4.039 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -7.004 -9.900 2.555 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -5.392 -9.654 3.028 1.00 3.26 H new ATOM 216 N THR A 14 -8.896 -10.566 -1.503 1.00 0.76 N ATOM 217 CA THR A 14 -9.530 -11.875 -1.580 1.00 1.06 C ATOM 218 C THR A 14 -11.036 -11.732 -1.796 1.00 0.93 C ATOM 219 O THR A 14 -11.668 -12.590 -2.404 1.00 1.20 O ATOM 220 CB THR A 14 -9.288 -12.674 -0.284 1.00 1.44 C ATOM 221 OG1 THR A 14 -7.938 -12.490 0.168 1.00 1.93 O ATOM 222 CG2 THR A 14 -9.546 -14.158 -0.497 1.00 1.86 C ATOM 0 H THR A 14 -8.900 -10.146 -0.573 1.00 0.76 H new ATOM 0 HA THR A 14 -9.089 -12.406 -2.423 1.00 1.06 H new ATOM 0 HB THR A 14 -9.982 -12.302 0.469 1.00 1.44 H new ATOM 0 HG1 THR A 14 -7.797 -13.001 0.992 1.00 1.93 H new ATOM 0 HG21 THR A 14 -9.367 -14.696 0.434 1.00 1.86 H new ATOM 0 HG22 THR A 14 -10.580 -14.306 -0.809 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.876 -14.537 -1.269 1.00 1.86 H new ATOM 230 N LEU A 15 -11.590 -10.606 -1.363 1.00 0.64 N ATOM 231 CA LEU A 15 -13.018 -10.391 -1.421 1.00 0.66 C ATOM 232 C LEU A 15 -13.373 -9.178 -2.258 1.00 0.49 C ATOM 233 O LEU A 15 -13.121 -8.044 -1.857 1.00 0.55 O ATOM 234 CB LEU A 15 -13.545 -10.205 -0.008 1.00 0.92 C ATOM 235 CG LEU A 15 -13.808 -11.494 0.759 1.00 1.07 C ATOM 236 CD1 LEU A 15 -14.124 -11.180 2.200 1.00 1.80 C ATOM 237 CD2 LEU A 15 -14.948 -12.260 0.125 1.00 1.35 C ATOM 0 H LEU A 15 -11.063 -9.828 -0.967 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.476 -11.261 -1.891 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -12.829 -9.606 0.554 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -14.472 -9.633 -0.055 1.00 0.92 H new ATOM 0 HG LEU A 15 -12.913 -12.115 0.722 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -14.311 -12.107 2.742 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -13.280 -10.659 2.652 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.010 -10.547 2.249 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -15.124 -13.179 0.684 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.850 -11.648 0.139 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.692 -12.506 -0.906 1.00 1.35 H new ATOM 249 N LYS A 16 -13.893 -9.422 -3.448 1.00 0.42 N ATOM 250 CA LYS A 16 -14.374 -8.351 -4.304 1.00 0.37 C ATOM 251 C LYS A 16 -15.734 -8.748 -4.852 1.00 0.43 C ATOM 252 O LYS A 16 -15.947 -9.906 -5.219 1.00 0.58 O ATOM 253 CB LYS A 16 -13.410 -8.044 -5.473 1.00 0.45 C ATOM 254 CG LYS A 16 -11.998 -8.598 -5.327 1.00 0.43 C ATOM 255 CD LYS A 16 -11.946 -10.036 -5.761 1.00 1.03 C ATOM 256 CE LYS A 16 -10.556 -10.634 -5.652 1.00 1.81 C ATOM 257 NZ LYS A 16 -10.505 -12.002 -6.227 1.00 2.49 N ATOM 0 H LYS A 16 -13.993 -10.356 -3.845 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.441 -7.443 -3.705 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.843 -8.441 -6.391 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.346 -6.962 -5.593 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.306 -8.006 -5.926 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.674 -8.514 -4.290 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -12.636 -10.620 -5.152 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -12.289 -10.112 -6.793 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -9.842 -9.994 -6.170 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -10.254 -10.667 -4.605 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -9.541 -12.381 -6.136 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -11.169 -12.618 -5.716 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -10.769 -11.966 -7.232 1.00 2.49 H new ATOM 271 N GLY A 17 -16.653 -7.798 -4.879 1.00 0.33 N ATOM 272 CA GLY A 17 -18.006 -8.087 -5.309 1.00 0.39 C ATOM 273 C GLY A 17 -18.900 -6.868 -5.200 1.00 0.26 C ATOM 274 O GLY A 17 -18.406 -5.749 -5.046 1.00 0.23 O ATOM 0 H GLY A 17 -16.487 -6.828 -4.610 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -17.993 -8.438 -6.341 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.416 -8.895 -4.703 1.00 0.39 H new ATOM 278 N GLU A 18 -20.212 -7.084 -5.212 1.00 0.28 N ATOM 279 CA GLU A 18 -21.166 -5.989 -5.111 1.00 0.23 C ATOM 280 C GLU A 18 -22.302 -6.357 -4.167 1.00 0.29 C ATOM 281 O GLU A 18 -22.495 -7.528 -3.841 1.00 0.49 O ATOM 282 CB GLU A 18 -21.763 -5.660 -6.486 1.00 0.46 C ATOM 283 CG GLU A 18 -20.741 -5.471 -7.592 1.00 0.70 C ATOM 284 CD GLU A 18 -21.394 -5.304 -8.950 1.00 1.17 C ATOM 285 OE1 GLU A 18 -21.213 -4.239 -9.578 1.00 1.69 O ATOM 286 OE2 GLU A 18 -22.109 -6.228 -9.388 1.00 1.69 O ATOM 0 H GLU A 18 -20.637 -8.008 -5.291 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.631 -5.121 -4.726 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.444 -6.461 -6.772 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.358 -4.751 -6.401 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.130 -4.595 -7.374 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -20.070 -6.330 -7.616 1.00 0.70 H new ATOM 293 N THR A 19 -23.047 -5.346 -3.746 1.00 0.22 N ATOM 294 CA THR A 19 -24.219 -5.532 -2.902 1.00 0.32 C ATOM 295 C THR A 19 -25.087 -4.276 -2.975 1.00 0.29 C ATOM 296 O THR A 19 -24.650 -3.245 -3.498 1.00 0.31 O ATOM 297 CB THR A 19 -23.844 -5.850 -1.433 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.030 -6.094 -0.662 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.055 -4.702 -0.806 1.00 0.45 C ATOM 0 H THR A 19 -22.856 -4.372 -3.980 1.00 0.22 H new ATOM 0 HA THR A 19 -24.774 -6.394 -3.274 1.00 0.32 H new ATOM 0 HB THR A 19 -23.218 -6.742 -1.432 1.00 0.44 H new ATOM 0 HG1 THR A 19 -24.782 -6.296 0.264 1.00 0.58 H new ATOM 0 HG21 THR A 19 -22.805 -4.953 0.225 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.138 -4.539 -1.372 1.00 0.45 H new ATOM 0 HG23 THR A 19 -23.658 -3.794 -0.823 1.00 0.45 H new ATOM 307 N THR A 20 -26.304 -4.361 -2.460 1.00 0.27 N ATOM 308 CA THR A 20 -27.251 -3.255 -2.545 1.00 0.24 C ATOM 309 C THR A 20 -27.997 -3.061 -1.226 1.00 0.25 C ATOM 310 O THR A 20 -28.167 -4.011 -0.456 1.00 0.31 O ATOM 311 CB THR A 20 -28.281 -3.499 -3.670 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.830 -4.816 -3.543 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.656 -3.338 -5.057 1.00 0.32 C ATOM 0 H THR A 20 -26.662 -5.185 -1.977 1.00 0.27 H new ATOM 0 HA THR A 20 -26.675 -2.356 -2.765 1.00 0.24 H new ATOM 0 HB THR A 20 -29.069 -2.752 -3.568 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.484 -4.968 -4.257 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.413 -3.518 -5.820 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.265 -2.326 -5.165 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.844 -4.055 -5.176 1.00 0.32 H new ATOM 321 N THR A 21 -28.435 -1.834 -0.970 1.00 0.23 N ATOM 322 CA THR A 21 -29.212 -1.531 0.228 1.00 0.26 C ATOM 323 C THR A 21 -30.079 -0.304 -0.028 1.00 0.25 C ATOM 324 O THR A 21 -29.793 0.486 -0.932 1.00 0.26 O ATOM 325 CB THR A 21 -28.321 -1.285 1.480 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.100 -1.477 2.666 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.752 0.140 1.504 1.00 0.28 C ATOM 0 H THR A 21 -28.266 -1.031 -1.576 1.00 0.23 H new ATOM 0 HA THR A 21 -29.831 -2.403 0.441 1.00 0.26 H new ATOM 0 HB THR A 21 -27.493 -1.992 1.436 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.539 -1.324 3.455 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.136 0.271 2.394 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.144 0.304 0.614 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.571 0.859 1.521 1.00 0.28 H new ATOM 335 N GLU A 22 -31.158 -0.178 0.719 1.00 0.31 N ATOM 336 CA GLU A 22 -32.045 0.968 0.579 1.00 0.36 C ATOM 337 C GLU A 22 -31.746 1.994 1.677 1.00 0.36 C ATOM 338 O GLU A 22 -31.434 1.622 2.810 1.00 0.58 O ATOM 339 CB GLU A 22 -33.509 0.502 0.667 1.00 0.51 C ATOM 340 CG GLU A 22 -33.876 -0.077 2.022 1.00 1.16 C ATOM 341 CD GLU A 22 -35.289 -0.596 2.058 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.472 -1.826 2.125 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.225 0.222 2.010 1.00 2.24 O ATOM 0 H GLU A 22 -31.444 -0.852 1.429 1.00 0.31 H new ATOM 0 HA GLU A 22 -31.881 1.437 -0.391 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.165 1.345 0.451 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.691 -0.249 -0.102 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.188 -0.886 2.267 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.753 0.689 2.787 1.00 1.16 H new ATOM 350 N ALA A 23 -31.767 3.277 1.323 1.00 0.26 N ATOM 351 CA ALA A 23 -31.527 4.338 2.300 1.00 0.28 C ATOM 352 C ALA A 23 -32.200 5.635 1.846 1.00 0.31 C ATOM 353 O ALA A 23 -32.421 5.828 0.650 1.00 0.38 O ATOM 354 CB ALA A 23 -30.027 4.558 2.486 1.00 0.32 C ATOM 0 H ALA A 23 -31.946 3.606 0.374 1.00 0.26 H new ATOM 0 HA ALA A 23 -31.956 4.036 3.256 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -29.863 5.351 3.216 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.565 3.637 2.841 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.580 4.844 1.534 1.00 0.32 H new ATOM 360 N VAL A 24 -32.586 6.486 2.796 1.00 0.35 N ATOM 361 CA VAL A 24 -33.197 7.771 2.470 1.00 0.45 C ATOM 362 C VAL A 24 -32.165 8.907 2.494 1.00 0.49 C ATOM 363 O VAL A 24 -32.445 10.018 2.048 1.00 0.74 O ATOM 364 CB VAL A 24 -34.349 8.103 3.444 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.512 7.142 3.246 1.00 1.05 C ATOM 366 CG2 VAL A 24 -33.860 8.058 4.886 1.00 1.09 C ATOM 0 H VAL A 24 -32.486 6.308 3.795 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.598 7.684 1.460 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.698 9.113 3.230 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.313 7.392 3.941 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.881 7.223 2.223 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.176 6.122 3.431 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.685 8.295 5.558 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.483 7.060 5.111 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.061 8.787 5.022 1.00 1.09 H new ATOM 376 N ASP A 25 -30.956 8.601 2.966 1.00 0.39 N ATOM 377 CA ASP A 25 -29.895 9.598 3.063 1.00 0.45 C ATOM 378 C ASP A 25 -28.583 8.988 2.597 1.00 0.39 C ATOM 379 O ASP A 25 -28.429 7.763 2.592 1.00 0.35 O ATOM 380 CB ASP A 25 -29.710 10.108 4.505 1.00 0.54 C ATOM 381 CG ASP A 25 -30.946 10.749 5.108 1.00 1.25 C ATOM 382 OD1 ASP A 25 -31.237 11.916 4.782 1.00 1.51 O ATOM 383 OD2 ASP A 25 -31.603 10.102 5.952 1.00 2.13 O ATOM 0 H ASP A 25 -30.689 7.670 3.287 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.181 10.441 2.434 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -29.404 9.273 5.136 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -28.896 10.833 4.519 1.00 0.54 H new ATOM 388 N ALA A 26 -27.640 9.832 2.212 1.00 0.44 N ATOM 389 CA ALA A 26 -26.329 9.363 1.795 1.00 0.46 C ATOM 390 C ALA A 26 -25.525 8.936 3.020 1.00 0.38 C ATOM 391 O ALA A 26 -24.953 7.846 3.056 1.00 0.37 O ATOM 392 CB ALA A 26 -25.601 10.453 1.021 1.00 0.59 C ATOM 0 H ALA A 26 -27.758 10.845 2.180 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.446 8.503 1.136 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.620 10.089 0.715 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.181 10.721 0.138 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.480 11.331 1.656 1.00 0.59 H new ATOM 398 N ALA A 27 -25.586 9.763 4.063 1.00 0.39 N ATOM 399 CA ALA A 27 -24.880 9.489 5.312 1.00 0.38 C ATOM 400 C ALA A 27 -25.329 8.156 5.915 1.00 0.31 C ATOM 401 O ALA A 27 -24.512 7.365 6.386 1.00 0.32 O ATOM 402 CB ALA A 27 -25.114 10.618 6.306 1.00 0.48 C ATOM 0 H ALA A 27 -26.120 10.632 4.066 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.814 9.422 5.092 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.583 10.402 7.233 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.746 11.554 5.886 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.181 10.707 6.511 1.00 0.48 H new ATOM 408 N THR A 28 -26.627 7.901 5.851 1.00 0.31 N ATOM 409 CA THR A 28 -27.199 6.675 6.399 1.00 0.30 C ATOM 410 C THR A 28 -26.757 5.443 5.605 1.00 0.24 C ATOM 411 O THR A 28 -26.584 4.365 6.173 1.00 0.28 O ATOM 412 CB THR A 28 -28.732 6.758 6.419 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.121 8.050 6.905 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.329 5.683 7.320 1.00 0.45 C ATOM 0 H THR A 28 -27.309 8.528 5.424 1.00 0.31 H new ATOM 0 HA THR A 28 -26.831 6.572 7.420 1.00 0.30 H new ATOM 0 HB THR A 28 -29.103 6.602 5.406 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.099 8.113 6.920 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.416 5.766 7.315 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.039 4.698 6.953 1.00 0.45 H new ATOM 0 HG23 THR A 28 -28.960 5.815 8.337 1.00 0.45 H new ATOM 422 N ALA A 29 -26.469 5.635 4.321 1.00 0.21 N ATOM 423 CA ALA A 29 -26.076 4.529 3.456 1.00 0.22 C ATOM 424 C ALA A 29 -24.670 4.085 3.808 1.00 0.21 C ATOM 425 O ALA A 29 -24.359 2.893 3.818 1.00 0.25 O ATOM 426 CB ALA A 29 -26.154 4.937 1.991 1.00 0.28 C ATOM 0 H ALA A 29 -26.500 6.543 3.858 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.764 3.698 3.611 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.857 4.097 1.363 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.176 5.228 1.748 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.485 5.779 1.812 1.00 0.28 H new ATOM 432 N GLU A 30 -23.837 5.070 4.118 1.00 0.19 N ATOM 433 CA GLU A 30 -22.469 4.833 4.534 1.00 0.20 C ATOM 434 C GLU A 30 -22.456 3.981 5.802 1.00 0.20 C ATOM 435 O GLU A 30 -21.909 2.883 5.815 1.00 0.23 O ATOM 436 CB GLU A 30 -21.782 6.170 4.815 1.00 0.24 C ATOM 437 CG GLU A 30 -20.269 6.083 4.869 1.00 0.35 C ATOM 438 CD GLU A 30 -19.628 7.370 5.343 1.00 0.50 C ATOM 439 OE1 GLU A 30 -18.981 8.056 4.526 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.769 7.705 6.538 1.00 1.29 O ATOM 0 H GLU A 30 -24.096 6.056 4.087 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.938 4.308 3.740 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.068 6.884 4.042 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.148 6.563 5.764 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.979 5.270 5.535 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.888 5.835 3.879 1.00 0.35 H new ATOM 447 N LYS A 31 -23.156 4.472 6.828 1.00 0.20 N ATOM 448 CA LYS A 31 -23.222 3.823 8.144 1.00 0.24 C ATOM 449 C LYS A 31 -23.576 2.331 8.050 1.00 0.22 C ATOM 450 O LYS A 31 -22.922 1.495 8.674 1.00 0.26 O ATOM 451 CB LYS A 31 -24.245 4.540 9.040 1.00 0.29 C ATOM 452 CG LYS A 31 -24.041 6.043 9.122 1.00 0.39 C ATOM 453 CD LYS A 31 -22.714 6.398 9.762 1.00 1.10 C ATOM 454 CE LYS A 31 -22.506 7.905 9.791 1.00 1.86 C ATOM 455 NZ LYS A 31 -23.592 8.611 10.530 1.00 2.42 N ATOM 0 H LYS A 31 -23.696 5.335 6.771 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.227 3.897 8.582 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.248 4.339 8.663 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.192 4.120 10.044 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -24.087 6.471 8.121 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.852 6.489 9.697 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -22.679 6.003 10.777 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.902 5.926 9.209 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -21.547 8.128 10.258 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.459 8.283 8.770 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -23.304 9.593 10.715 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -24.461 8.607 9.958 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -23.770 8.126 11.433 1.00 2.42 H new ATOM 469 N VAL A 32 -24.569 1.995 7.228 1.00 0.20 N ATOM 470 CA VAL A 32 -25.024 0.613 7.115 1.00 0.22 C ATOM 471 C VAL A 32 -23.995 -0.247 6.390 1.00 0.18 C ATOM 472 O VAL A 32 -23.613 -1.318 6.865 1.00 0.20 O ATOM 473 CB VAL A 32 -26.380 0.518 6.375 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.840 -0.933 6.272 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.434 1.371 7.068 1.00 0.29 C ATOM 0 H VAL A 32 -25.070 2.657 6.635 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.152 0.240 8.131 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.243 0.903 5.364 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.795 -0.976 5.748 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.098 -1.512 5.722 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.956 -1.350 7.272 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.379 1.289 6.531 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.568 1.023 8.092 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.111 2.412 7.077 1.00 0.29 H new ATOM 485 N PHE A 33 -23.520 0.253 5.260 1.00 0.16 N ATOM 486 CA PHE A 33 -22.542 -0.472 4.459 1.00 0.15 C ATOM 487 C PHE A 33 -21.194 -0.578 5.170 1.00 0.15 C ATOM 488 O PHE A 33 -20.411 -1.480 4.876 1.00 0.17 O ATOM 489 CB PHE A 33 -22.348 0.176 3.083 1.00 0.17 C ATOM 490 CG PHE A 33 -23.293 -0.308 2.020 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.711 -1.626 1.990 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.743 0.555 1.033 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.562 -2.077 1.002 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.597 0.113 0.042 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.005 -1.206 0.025 1.00 0.29 C ATOM 0 H PHE A 33 -23.795 1.157 4.876 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.941 -1.477 4.320 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.461 1.255 3.186 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.326 -0.007 2.752 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.367 -2.311 2.750 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.422 1.586 1.039 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.881 -3.109 0.992 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.945 0.797 -0.718 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.670 -1.556 -0.751 1.00 0.29 H new ATOM 505 N LYS A 34 -20.926 0.318 6.113 1.00 0.16 N ATOM 506 CA LYS A 34 -19.677 0.285 6.843 1.00 0.20 C ATOM 507 C LYS A 34 -19.661 -0.905 7.788 1.00 0.20 C ATOM 508 O LYS A 34 -18.659 -1.609 7.886 1.00 0.22 O ATOM 509 CB LYS A 34 -19.463 1.604 7.598 1.00 0.29 C ATOM 510 CG LYS A 34 -19.115 2.776 6.688 1.00 0.43 C ATOM 511 CD LYS A 34 -18.437 3.907 7.442 1.00 0.38 C ATOM 512 CE LYS A 34 -17.012 3.538 7.817 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.184 3.212 6.630 1.00 1.09 N ATOM 0 H LYS A 34 -21.558 1.071 6.385 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.853 0.170 6.139 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.367 1.844 8.157 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.664 1.471 8.327 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.460 2.431 5.888 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.024 3.150 6.216 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.433 4.807 6.827 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -19.005 4.139 8.343 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.555 4.366 8.359 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -17.026 2.683 8.493 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -16.003 2.188 6.604 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.688 3.497 5.766 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -15.279 3.722 6.687 1.00 1.09 H new ATOM 527 N GLN A 35 -20.789 -1.152 8.443 1.00 0.21 N ATOM 528 CA GLN A 35 -20.935 -2.332 9.284 1.00 0.24 C ATOM 529 C GLN A 35 -20.899 -3.584 8.408 1.00 0.21 C ATOM 530 O GLN A 35 -20.322 -4.606 8.783 1.00 0.24 O ATOM 531 CB GLN A 35 -22.243 -2.276 10.087 1.00 0.32 C ATOM 532 CG GLN A 35 -22.436 -3.462 11.025 1.00 0.43 C ATOM 533 CD GLN A 35 -21.327 -3.595 12.056 1.00 1.28 C ATOM 534 OE1 GLN A 35 -20.320 -4.265 11.827 1.00 2.20 O ATOM 535 NE2 GLN A 35 -21.507 -2.958 13.201 1.00 1.82 N ATOM 0 H GLN A 35 -21.613 -0.552 8.408 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.110 -2.363 9.996 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.262 -1.356 10.670 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -23.083 -2.231 9.394 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.391 -3.359 11.539 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.488 -4.378 10.437 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -22.355 -2.413 13.353 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -20.797 -3.012 13.932 1.00 1.82 H new ATOM 544 N TYR A 36 -21.435 -3.455 7.198 1.00 0.19 N ATOM 545 CA TYR A 36 -21.455 -4.548 6.234 1.00 0.18 C ATOM 546 C TYR A 36 -20.033 -4.926 5.822 1.00 0.17 C ATOM 547 O TYR A 36 -19.654 -6.101 5.838 1.00 0.19 O ATOM 548 CB TYR A 36 -22.267 -4.132 5.000 1.00 0.19 C ATOM 549 CG TYR A 36 -22.110 -5.069 3.826 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.891 -6.206 3.698 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.164 -4.808 2.848 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.731 -7.059 2.622 1.00 1.24 C ATOM 553 CE2 TYR A 36 -20.998 -5.649 1.772 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.782 -6.775 1.660 1.00 0.34 C ATOM 555 OH TYR A 36 -21.610 -7.620 0.590 1.00 0.42 O ATOM 0 H TYR A 36 -21.865 -2.594 6.860 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.922 -5.417 6.697 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.321 -4.077 5.271 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.963 -3.130 4.697 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.635 -6.429 4.449 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -20.545 -3.927 2.932 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -23.345 -7.943 2.534 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.256 -5.427 1.019 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.301 -7.107 -0.186 1.00 0.42 H new ATOM 565 N ALA A 37 -19.253 -3.922 5.440 1.00 0.15 N ATOM 566 CA ALA A 37 -17.874 -4.137 5.025 1.00 0.16 C ATOM 567 C ALA A 37 -17.034 -4.577 6.219 1.00 0.18 C ATOM 568 O ALA A 37 -16.133 -5.408 6.091 1.00 0.22 O ATOM 569 CB ALA A 37 -17.304 -2.867 4.404 1.00 0.17 C ATOM 0 H ALA A 37 -19.554 -2.948 5.409 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.849 -4.925 4.273 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.273 -3.043 4.099 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.898 -2.589 3.533 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.333 -2.059 5.136 1.00 0.17 H new ATOM 575 N ASN A 38 -17.386 -4.041 7.387 1.00 0.20 N ATOM 576 CA ASN A 38 -16.713 -4.368 8.650 1.00 0.26 C ATOM 577 C ASN A 38 -16.808 -5.861 8.942 1.00 0.28 C ATOM 578 O ASN A 38 -15.811 -6.503 9.267 1.00 0.36 O ATOM 579 CB ASN A 38 -17.332 -3.566 9.819 1.00 0.31 C ATOM 580 CG ASN A 38 -16.700 -3.897 11.168 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.680 -3.324 11.536 1.00 1.03 O ATOM 582 ND2 ASN A 38 -17.323 -4.790 11.930 1.00 1.39 N ATOM 0 H ASN A 38 -18.145 -3.367 7.488 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.662 -4.096 8.551 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.218 -2.500 9.622 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.402 -3.769 9.865 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.955 -5.018 12.853 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -18.170 -5.247 11.591 1.00 1.39 H new ATOM 589 N ASP A 39 -18.003 -6.418 8.772 1.00 0.30 N ATOM 590 CA ASP A 39 -18.239 -7.837 9.033 1.00 0.38 C ATOM 591 C ASP A 39 -17.513 -8.716 8.015 1.00 0.33 C ATOM 592 O ASP A 39 -17.111 -9.838 8.326 1.00 0.41 O ATOM 593 CB ASP A 39 -19.741 -8.131 9.014 1.00 0.53 C ATOM 594 CG ASP A 39 -20.067 -9.553 9.430 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.382 -10.381 8.546 1.00 1.78 O ATOM 596 OD2 ASP A 39 -19.995 -9.857 10.634 1.00 1.77 O ATOM 0 H ASP A 39 -18.827 -5.908 8.454 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.842 -8.071 10.021 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.251 -7.436 9.681 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -20.129 -7.953 8.011 1.00 0.53 H new ATOM 601 N ASN A 40 -17.232 -8.154 6.846 1.00 0.28 N ATOM 602 CA ASN A 40 -16.557 -8.889 5.788 1.00 0.34 C ATOM 603 C ASN A 40 -15.041 -8.758 5.917 1.00 0.32 C ATOM 604 O ASN A 40 -14.291 -9.558 5.362 1.00 0.46 O ATOM 605 CB ASN A 40 -17.016 -8.389 4.415 1.00 0.42 C ATOM 606 CG ASN A 40 -18.301 -9.046 3.946 1.00 0.92 C ATOM 607 OD1 ASN A 40 -18.271 -10.114 3.339 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.439 -8.415 4.205 1.00 0.78 N ATOM 0 H ASN A 40 -17.462 -7.189 6.608 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.820 -9.942 5.885 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.160 -7.309 4.457 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.230 -8.577 3.684 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.325 -8.815 3.898 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.427 -7.530 4.711 1.00 0.78 H new ATOM 615 N GLY A 41 -14.599 -7.750 6.667 1.00 0.25 N ATOM 616 CA GLY A 41 -13.176 -7.537 6.865 1.00 0.33 C ATOM 617 C GLY A 41 -12.572 -6.619 5.824 1.00 0.28 C ATOM 618 O GLY A 41 -11.356 -6.592 5.644 1.00 0.37 O ATOM 0 H GLY A 41 -15.202 -7.077 7.141 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -13.011 -7.114 7.856 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.662 -8.498 6.838 1.00 0.33 H new ATOM 622 N VAL A 42 -13.418 -5.887 5.109 1.00 0.23 N ATOM 623 CA VAL A 42 -12.952 -4.974 4.097 1.00 0.26 C ATOM 624 C VAL A 42 -13.018 -3.546 4.602 1.00 0.36 C ATOM 625 O VAL A 42 -14.079 -3.061 4.993 1.00 0.46 O ATOM 626 CB VAL A 42 -13.777 -5.089 2.805 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.173 -4.203 1.729 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.823 -6.532 2.347 1.00 0.29 C ATOM 0 H VAL A 42 -14.432 -5.915 5.219 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.919 -5.241 3.874 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.797 -4.756 2.997 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.761 -4.288 0.815 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.175 -3.167 2.067 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.148 -4.518 1.531 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.409 -6.605 1.431 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.810 -6.886 2.158 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.283 -7.145 3.122 1.00 0.29 H new ATOM 638 N ASP A 43 -11.877 -2.881 4.595 1.00 0.42 N ATOM 639 CA ASP A 43 -11.801 -1.493 5.038 1.00 0.55 C ATOM 640 C ASP A 43 -10.780 -0.740 4.195 1.00 0.47 C ATOM 641 O ASP A 43 -9.733 -1.291 3.845 1.00 0.68 O ATOM 642 CB ASP A 43 -11.433 -1.409 6.522 1.00 0.80 C ATOM 643 CG ASP A 43 -11.698 -0.032 7.103 1.00 1.29 C ATOM 644 OD1 ASP A 43 -12.885 0.337 7.249 1.00 1.86 O ATOM 645 OD2 ASP A 43 -10.727 0.679 7.436 1.00 1.80 O ATOM 0 H ASP A 43 -10.988 -3.276 4.288 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.781 -1.034 4.910 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -12.004 -2.152 7.079 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.379 -1.657 6.648 1.00 0.80 H new ATOM 650 N GLY A 44 -11.103 0.495 3.835 1.00 0.43 N ATOM 651 CA GLY A 44 -10.244 1.277 2.978 1.00 0.37 C ATOM 652 C GLY A 44 -10.857 2.627 2.696 1.00 0.34 C ATOM 653 O GLY A 44 -11.842 3.002 3.336 1.00 0.38 O ATOM 0 H GLY A 44 -11.956 0.971 4.127 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.270 1.406 3.451 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.076 0.746 2.041 1.00 0.37 H new ATOM 657 N GLU A 45 -10.264 3.375 1.772 1.00 0.34 N ATOM 658 CA GLU A 45 -10.799 4.679 1.406 1.00 0.35 C ATOM 659 C GLU A 45 -12.218 4.536 0.857 1.00 0.29 C ATOM 660 O GLU A 45 -12.552 3.531 0.222 1.00 0.43 O ATOM 661 CB GLU A 45 -9.894 5.370 0.385 1.00 0.45 C ATOM 662 CG GLU A 45 -8.524 5.710 0.940 1.00 1.27 C ATOM 663 CD GLU A 45 -7.716 6.586 0.007 1.00 2.01 C ATOM 664 OE1 GLU A 45 -7.938 7.817 0.005 1.00 2.79 O ATOM 665 OE2 GLU A 45 -6.854 6.054 -0.717 1.00 2.57 O ATOM 0 H GLU A 45 -9.420 3.103 1.267 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.834 5.299 2.302 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.777 4.723 -0.485 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.377 6.284 0.040 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.640 6.217 1.898 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -7.975 4.788 1.132 1.00 1.27 H new ATOM 672 N TRP A 46 -13.025 5.565 1.055 1.00 0.22 N ATOM 673 CA TRP A 46 -14.432 5.523 0.662 1.00 0.24 C ATOM 674 C TRP A 46 -14.729 6.515 -0.455 1.00 0.28 C ATOM 675 O TRP A 46 -14.720 7.727 -0.241 1.00 0.41 O ATOM 676 CB TRP A 46 -15.343 5.792 1.878 1.00 0.31 C ATOM 677 CG TRP A 46 -15.723 4.531 2.599 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.881 3.719 3.306 1.00 0.32 C ATOM 679 CD2 TRP A 46 -17.032 3.934 2.705 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.560 2.643 3.802 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.878 2.755 3.457 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.320 4.265 2.238 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.935 1.912 3.746 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.372 3.421 2.543 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.172 2.258 3.290 1.00 0.35 C ATOM 0 H TRP A 46 -12.734 6.443 1.486 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.640 4.522 0.283 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.833 6.463 2.569 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.246 6.303 1.546 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.827 3.903 3.452 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.151 1.880 4.342 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.482 5.159 1.654 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.785 1.007 4.316 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.366 3.665 2.198 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -20.015 1.620 3.511 1.00 0.35 H new ATOM 696 N THR A 47 -14.950 5.992 -1.652 1.00 0.29 N ATOM 697 CA THR A 47 -15.268 6.818 -2.803 1.00 0.35 C ATOM 698 C THR A 47 -16.767 6.787 -3.074 1.00 0.31 C ATOM 699 O THR A 47 -17.452 5.831 -2.690 1.00 0.28 O ATOM 700 CB THR A 47 -14.501 6.351 -4.057 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.543 4.921 -4.149 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.054 6.825 -4.026 1.00 0.63 C ATOM 0 H THR A 47 -14.914 4.992 -1.850 1.00 0.29 H new ATOM 0 HA THR A 47 -14.962 7.839 -2.576 1.00 0.35 H new ATOM 0 HB THR A 47 -14.983 6.787 -4.932 1.00 0.43 H new ATOM 0 HG1 THR A 47 -14.352 4.647 -5.070 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.539 6.480 -4.923 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.029 7.914 -3.989 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.557 6.420 -3.144 1.00 0.63 H new ATOM 710 N TYR A 48 -17.281 7.830 -3.715 1.00 0.38 N ATOM 711 CA TYR A 48 -18.704 7.926 -3.997 1.00 0.37 C ATOM 712 C TYR A 48 -18.956 8.842 -5.186 1.00 0.42 C ATOM 713 O TYR A 48 -18.147 9.722 -5.486 1.00 0.51 O ATOM 714 CB TYR A 48 -19.449 8.450 -2.756 1.00 0.41 C ATOM 715 CG TYR A 48 -20.930 8.708 -2.960 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.456 9.991 -2.867 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.802 7.665 -3.253 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.803 10.226 -3.057 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.154 7.894 -3.443 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.648 9.185 -3.325 1.00 0.61 C ATOM 721 OH TYR A 48 -24.992 9.417 -3.533 1.00 0.70 O ATOM 0 H TYR A 48 -16.731 8.621 -4.049 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.077 6.932 -4.245 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.329 7.729 -1.947 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.975 9.376 -2.430 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.800 10.819 -2.642 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.418 6.659 -3.334 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.190 11.232 -2.994 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.818 7.076 -3.681 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.172 10.378 -3.467 1.00 0.70 H new ATOM 731 N ASP A 49 -20.069 8.626 -5.864 1.00 0.42 N ATOM 732 CA ASP A 49 -20.460 9.489 -6.977 1.00 0.51 C ATOM 733 C ASP A 49 -21.934 9.838 -6.839 1.00 0.53 C ATOM 734 O ASP A 49 -22.754 8.961 -6.551 1.00 0.55 O ATOM 735 CB ASP A 49 -20.211 8.828 -8.334 1.00 0.57 C ATOM 736 CG ASP A 49 -20.171 9.858 -9.439 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.087 10.415 -9.698 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.222 10.093 -10.068 1.00 1.52 O ATOM 0 H ASP A 49 -20.719 7.865 -5.669 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.848 10.390 -6.937 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -19.269 8.280 -8.308 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.997 8.101 -8.538 1.00 0.57 H new ATOM 743 N ASP A 50 -22.293 11.089 -7.104 1.00 0.68 N ATOM 744 CA ASP A 50 -23.671 11.536 -6.886 1.00 0.76 C ATOM 745 C ASP A 50 -24.525 11.337 -8.138 1.00 0.73 C ATOM 746 O ASP A 50 -25.692 11.719 -8.180 1.00 0.84 O ATOM 747 CB ASP A 50 -23.702 13.007 -6.426 1.00 1.00 C ATOM 748 CG ASP A 50 -25.081 13.451 -5.974 1.00 1.56 C ATOM 749 OD1 ASP A 50 -25.608 14.435 -6.529 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.640 12.815 -5.055 1.00 2.15 O ATOM 0 H ASP A 50 -21.663 11.805 -7.465 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.099 10.922 -6.094 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -22.995 13.142 -5.608 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.369 13.646 -7.244 1.00 1.00 H new ATOM 755 N ALA A 51 -23.956 10.721 -9.159 1.00 0.70 N ATOM 756 CA ALA A 51 -24.723 10.421 -10.356 1.00 0.78 C ATOM 757 C ALA A 51 -25.383 9.041 -10.275 1.00 0.75 C ATOM 758 O ALA A 51 -26.546 8.885 -10.645 1.00 0.91 O ATOM 759 CB ALA A 51 -23.857 10.529 -11.605 1.00 0.91 C ATOM 0 H ALA A 51 -22.981 10.422 -9.185 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.517 11.165 -10.424 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.458 10.299 -12.485 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.464 11.542 -11.689 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -23.029 9.823 -11.536 1.00 0.91 H new ATOM 765 N THR A 52 -24.671 8.053 -9.740 1.00 0.63 N ATOM 766 CA THR A 52 -25.198 6.695 -9.699 1.00 0.65 C ATOM 767 C THR A 52 -25.480 6.196 -8.275 1.00 0.55 C ATOM 768 O THR A 52 -25.981 5.083 -8.101 1.00 0.62 O ATOM 769 CB THR A 52 -24.224 5.727 -10.391 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.904 5.913 -9.857 1.00 1.06 O ATOM 771 CG2 THR A 52 -24.202 5.952 -11.899 1.00 1.19 C ATOM 0 H THR A 52 -23.742 8.165 -9.335 1.00 0.63 H new ATOM 0 HA THR A 52 -26.151 6.722 -10.227 1.00 0.65 H new ATOM 0 HB THR A 52 -24.562 4.708 -10.203 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.717 5.213 -9.197 1.00 1.06 H new ATOM 0 HG21 THR A 52 -23.505 5.253 -12.361 1.00 1.19 H new ATOM 0 HG22 THR A 52 -25.200 5.790 -12.306 1.00 1.19 H new ATOM 0 HG23 THR A 52 -23.885 6.973 -12.110 1.00 1.19 H new ATOM 779 N LYS A 53 -25.154 7.011 -7.264 1.00 0.47 N ATOM 780 CA LYS A 53 -25.370 6.628 -5.847 1.00 0.46 C ATOM 781 C LYS A 53 -24.559 5.380 -5.503 1.00 0.39 C ATOM 782 O LYS A 53 -24.919 4.616 -4.607 1.00 0.49 O ATOM 783 CB LYS A 53 -26.860 6.367 -5.551 1.00 0.59 C ATOM 784 CG LYS A 53 -27.700 7.619 -5.302 1.00 0.81 C ATOM 785 CD LYS A 53 -27.634 8.600 -6.456 1.00 0.87 C ATOM 786 CE LYS A 53 -26.688 9.750 -6.152 1.00 1.57 C ATOM 787 NZ LYS A 53 -27.273 10.731 -5.196 1.00 2.08 N ATOM 0 H LYS A 53 -24.742 7.935 -7.390 1.00 0.47 H new ATOM 0 HA LYS A 53 -25.037 7.463 -5.230 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.291 5.820 -6.390 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.933 5.720 -4.677 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.737 7.329 -5.134 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.355 8.109 -4.392 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -27.303 8.083 -7.357 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -28.631 8.991 -6.661 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -25.760 9.354 -5.739 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -26.431 10.261 -7.080 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -26.875 11.674 -5.379 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -28.305 10.762 -5.318 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -27.048 10.443 -4.222 1.00 2.08 H new ATOM 801 N THR A 54 -23.438 5.202 -6.179 1.00 0.34 N ATOM 802 CA THR A 54 -22.611 4.033 -5.964 1.00 0.31 C ATOM 803 C THR A 54 -21.460 4.336 -5.001 1.00 0.28 C ATOM 804 O THR A 54 -20.705 5.290 -5.203 1.00 0.35 O ATOM 805 CB THR A 54 -22.035 3.530 -7.302 1.00 0.38 C ATOM 806 OG1 THR A 54 -23.034 3.670 -8.322 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.618 2.059 -7.213 1.00 0.41 C ATOM 0 H THR A 54 -23.082 5.852 -6.880 1.00 0.34 H new ATOM 0 HA THR A 54 -23.242 3.261 -5.523 1.00 0.31 H new ATOM 0 HB THR A 54 -21.152 4.124 -7.540 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.675 3.354 -9.177 1.00 0.51 H new ATOM 0 HG21 THR A 54 -21.216 1.736 -8.173 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.855 1.943 -6.443 1.00 0.41 H new ATOM 0 HG23 THR A 54 -22.485 1.450 -6.959 1.00 0.41 H new ATOM 815 N TYR A 55 -21.375 3.563 -3.924 1.00 0.21 N ATOM 816 CA TYR A 55 -20.272 3.683 -2.974 1.00 0.21 C ATOM 817 C TYR A 55 -19.238 2.607 -3.267 1.00 0.21 C ATOM 818 O TYR A 55 -19.570 1.532 -3.773 1.00 0.24 O ATOM 819 CB TYR A 55 -20.737 3.560 -1.507 1.00 0.24 C ATOM 820 CG TYR A 55 -21.299 4.831 -0.913 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.657 5.113 -1.005 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.481 5.755 -0.280 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.182 6.276 -0.477 1.00 1.19 C ATOM 824 CE2 TYR A 55 -20.999 6.922 0.252 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.320 7.161 0.211 1.00 0.56 C ATOM 826 OH TYR A 55 -22.863 8.339 0.676 1.00 0.70 O ATOM 0 H TYR A 55 -22.058 2.844 -3.685 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.842 4.677 -3.097 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.496 2.780 -1.445 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.893 3.233 -0.899 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.313 4.411 -1.498 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.422 5.560 -0.201 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.232 6.505 -0.587 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.337 7.646 0.703 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.483 8.146 1.410 1.00 0.70 H new ATOM 836 N THR A 56 -17.985 2.902 -2.987 1.00 0.24 N ATOM 837 CA THR A 56 -16.922 1.948 -3.234 1.00 0.29 C ATOM 838 C THR A 56 -15.869 1.994 -2.132 1.00 0.25 C ATOM 839 O THR A 56 -15.358 3.061 -1.785 1.00 0.28 O ATOM 840 CB THR A 56 -16.267 2.205 -4.606 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.258 2.092 -5.630 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.145 1.211 -4.877 1.00 0.74 C ATOM 0 H THR A 56 -17.678 3.790 -2.590 1.00 0.24 H new ATOM 0 HA THR A 56 -17.367 0.953 -3.238 1.00 0.29 H new ATOM 0 HB THR A 56 -15.841 3.208 -4.601 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.846 2.256 -6.504 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.703 1.418 -5.852 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.381 1.305 -4.105 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.547 0.198 -4.869 1.00 0.74 H new ATOM 850 N VAL A 57 -15.586 0.833 -1.555 1.00 0.24 N ATOM 851 CA VAL A 57 -14.538 0.729 -0.543 1.00 0.23 C ATOM 852 C VAL A 57 -13.335 0.034 -1.174 1.00 0.24 C ATOM 853 O VAL A 57 -13.422 -1.112 -1.628 1.00 0.30 O ATOM 854 CB VAL A 57 -14.990 0.001 0.772 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.399 -1.449 0.538 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.887 0.075 1.822 1.00 0.27 C ATOM 0 H VAL A 57 -16.062 -0.044 -1.767 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.280 1.739 -0.223 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.876 0.524 1.133 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.701 -1.899 1.484 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.233 -1.483 -0.163 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.556 -2.003 0.126 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.213 -0.434 2.729 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -12.987 -0.407 1.439 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.670 1.119 2.049 1.00 0.27 H new ATOM 866 N THR A 58 -12.255 0.783 -1.322 1.00 0.26 N ATOM 867 CA THR A 58 -11.077 0.286 -2.009 1.00 0.30 C ATOM 868 C THR A 58 -9.958 -0.080 -1.035 1.00 0.32 C ATOM 869 O THR A 58 -9.587 0.713 -0.167 1.00 0.36 O ATOM 870 CB THR A 58 -10.568 1.337 -3.009 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.668 1.813 -3.797 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.499 0.761 -3.927 1.00 0.52 C ATOM 0 H THR A 58 -12.171 1.738 -0.975 1.00 0.26 H new ATOM 0 HA THR A 58 -11.367 -0.621 -2.540 1.00 0.30 H new ATOM 0 HB THR A 58 -10.124 2.157 -2.445 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.347 2.485 -4.435 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.162 1.531 -4.621 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.655 0.415 -3.330 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.914 -0.076 -4.488 1.00 0.52 H new ATOM 880 N GLU A 59 -9.474 -1.306 -1.157 1.00 0.35 N ATOM 881 CA GLU A 59 -8.360 -1.783 -0.354 1.00 0.42 C ATOM 882 C GLU A 59 -7.068 -1.608 -1.168 1.00 0.53 C ATOM 883 O GLU A 59 -6.909 -2.249 -2.211 1.00 0.75 O ATOM 884 CB GLU A 59 -8.571 -3.269 -0.016 1.00 0.44 C ATOM 885 CG GLU A 59 -7.895 -3.759 1.258 1.00 0.78 C ATOM 886 CD GLU A 59 -6.415 -3.445 1.313 1.00 1.79 C ATOM 887 OE1 GLU A 59 -5.614 -4.204 0.726 1.00 2.34 O ATOM 888 OE2 GLU A 59 -6.043 -2.446 1.960 1.00 2.56 O ATOM 0 H GLU A 59 -9.841 -1.996 -1.813 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.292 -1.218 0.576 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -9.642 -3.455 0.068 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.208 -3.868 -0.851 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -8.387 -3.306 2.119 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.033 -4.837 1.342 1.00 0.78 H new ATOM 895 N GLY A 60 -6.162 -0.736 -0.729 1.00 0.79 N ATOM 896 CA GLY A 60 -4.949 -0.499 -1.486 1.00 0.91 C ATOM 897 C GLY A 60 -4.930 0.901 -2.055 1.00 1.48 C ATOM 898 O GLY A 60 -5.682 1.217 -2.979 1.00 2.32 O ATOM 0 H GLY A 60 -6.247 -0.194 0.131 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -4.081 -0.646 -0.844 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -4.873 -1.225 -2.295 1.00 0.91 H new ATOM 902 N SER A 61 -4.065 1.741 -1.510 1.00 1.79 N ATOM 903 CA SER A 61 -4.004 3.133 -1.915 1.00 2.75 C ATOM 904 C SER A 61 -2.591 3.522 -2.330 1.00 2.84 C ATOM 905 O SER A 61 -1.639 2.761 -2.123 1.00 3.18 O ATOM 906 CB SER A 61 -4.466 4.017 -0.759 1.00 3.69 C ATOM 907 OG SER A 61 -5.759 3.648 -0.320 1.00 4.41 O ATOM 0 H SER A 61 -3.396 1.481 -0.786 1.00 1.79 H new ATOM 0 HA SER A 61 -4.660 3.274 -2.774 1.00 2.75 H new ATOM 0 HB2 SER A 61 -3.761 3.937 0.068 1.00 3.69 H new ATOM 0 HB3 SER A 61 -4.470 5.060 -1.074 1.00 3.69 H new ATOM 0 HG SER A 61 -6.320 4.448 -0.245 1.00 4.41 H new ATOM 913 N GLY A 62 -2.464 4.705 -2.913 1.00 3.15 N ATOM 914 CA GLY A 62 -1.169 5.208 -3.303 1.00 3.63 C ATOM 915 C GLY A 62 -0.880 5.026 -4.777 1.00 4.11 C ATOM 916 O GLY A 62 -1.609 4.323 -5.480 1.00 4.49 O ATOM 0 H GLY A 62 -3.244 5.328 -3.123 1.00 3.15 H new ATOM 0 HA2 GLY A 62 -1.108 6.268 -3.055 1.00 3.63 H new ATOM 0 HA3 GLY A 62 -0.399 4.700 -2.723 1.00 3.63 H new ATOM 920 N GLY A 63 0.165 5.690 -5.253 1.00 4.57 N ATOM 921 CA GLY A 63 0.559 5.571 -6.636 1.00 5.36 C ATOM 922 C GLY A 63 2.040 5.301 -6.773 1.00 5.56 C ATOM 923 O GLY A 63 2.573 5.305 -7.882 1.00 6.24 O ATOM 0 H GLY A 63 0.750 6.314 -4.697 1.00 4.57 H new ATOM 0 HA2 GLY A 63 -0.003 4.764 -7.107 1.00 5.36 H new ATOM 0 HA3 GLY A 63 0.305 6.488 -7.167 1.00 5.36 H new ATOM 927 N ALA A 64 2.696 5.083 -5.628 1.00 5.28 N ATOM 928 CA ALA A 64 4.136 4.806 -5.557 1.00 5.82 C ATOM 929 C ALA A 64 4.963 6.062 -5.824 1.00 6.16 C ATOM 930 O ALA A 64 5.673 6.538 -4.935 1.00 6.23 O ATOM 931 CB ALA A 64 4.543 3.678 -6.501 1.00 6.29 C ATOM 0 H ALA A 64 2.239 5.094 -4.716 1.00 5.28 H new ATOM 0 HA ALA A 64 4.345 4.477 -4.539 1.00 5.82 H new ATOM 0 HB1 ALA A 64 5.616 3.504 -6.419 1.00 6.29 H new ATOM 0 HB2 ALA A 64 4.006 2.768 -6.233 1.00 6.29 H new ATOM 0 HB3 ALA A 64 4.298 3.955 -7.526 1.00 6.29 H new ATOM 937 N GLY A 65 4.869 6.597 -7.031 1.00 6.75 N ATOM 938 CA GLY A 65 5.618 7.788 -7.380 1.00 7.43 C ATOM 939 C GLY A 65 5.807 7.905 -8.879 1.00 8.04 C ATOM 940 O GLY A 65 5.255 7.103 -9.632 1.00 8.41 O ATOM 0 H GLY A 65 4.284 6.226 -7.780 1.00 6.75 H new ATOM 0 HA2 GLY A 65 5.096 8.670 -7.008 1.00 7.43 H new ATOM 0 HA3 GLY A 65 6.591 7.764 -6.890 1.00 7.43 H new ATOM 944 N GLY A 66 6.578 8.896 -9.313 1.00 8.36 N ATOM 945 CA GLY A 66 6.800 9.103 -10.733 1.00 9.12 C ATOM 946 C GLY A 66 8.213 8.744 -11.162 1.00 9.70 C ATOM 947 O GLY A 66 8.414 8.140 -12.216 1.00 10.44 O ATOM 0 H GLY A 66 7.055 9.562 -8.705 1.00 8.36 H new ATOM 0 HA2 GLY A 66 6.089 8.502 -11.300 1.00 9.12 H new ATOM 0 HA3 GLY A 66 6.603 10.146 -10.979 1.00 9.12 H new ATOM 951 N GLN A 67 9.190 9.108 -10.343 1.00 9.54 N ATOM 952 CA GLN A 67 10.585 8.811 -10.640 1.00 10.26 C ATOM 953 C GLN A 67 11.275 8.239 -9.408 1.00 10.54 C ATOM 954 O GLN A 67 11.523 8.953 -8.434 1.00 10.70 O ATOM 955 CB GLN A 67 11.321 10.070 -11.116 1.00 10.71 C ATOM 956 CG GLN A 67 12.758 9.803 -11.539 1.00 11.09 C ATOM 957 CD GLN A 67 13.520 11.069 -11.896 1.00 11.64 C ATOM 958 OE1 GLN A 67 12.944 12.056 -12.352 1.00 11.68 O ATOM 959 NE2 GLN A 67 14.829 11.047 -11.694 1.00 12.25 N ATOM 0 H GLN A 67 9.043 9.610 -9.467 1.00 9.54 H new ATOM 0 HA GLN A 67 10.613 8.071 -11.440 1.00 10.26 H new ATOM 0 HB2 GLN A 67 10.777 10.505 -11.955 1.00 10.71 H new ATOM 0 HB3 GLN A 67 11.317 10.810 -10.315 1.00 10.71 H new ATOM 0 HG2 GLN A 67 13.278 9.288 -10.731 1.00 11.09 H new ATOM 0 HG3 GLN A 67 12.759 9.131 -12.397 1.00 11.09 H new ATOM 0 HE21 GLN A 67 15.272 10.211 -11.314 1.00 12.25 H new ATOM 0 HE22 GLN A 67 15.393 11.866 -11.918 1.00 12.25 H new ATOM 968 N GLY A 68 11.546 6.945 -9.446 1.00 10.79 N ATOM 969 CA GLY A 68 12.210 6.295 -8.336 1.00 11.26 C ATOM 970 C GLY A 68 12.740 4.931 -8.712 1.00 11.69 C ATOM 971 O GLY A 68 12.489 3.948 -8.017 1.00 11.72 O ATOM 0 H GLY A 68 11.318 6.331 -10.228 1.00 10.79 H new ATOM 0 HA2 GLY A 68 13.033 6.920 -7.989 1.00 11.26 H new ATOM 0 HA3 GLY A 68 11.513 6.196 -7.504 1.00 11.26 H new ATOM 975 N MET A 69 13.465 4.871 -9.820 1.00 12.22 N ATOM 976 CA MET A 69 14.034 3.614 -10.293 1.00 12.82 C ATOM 977 C MET A 69 15.366 3.862 -10.996 1.00 13.10 C ATOM 978 O MET A 69 15.418 4.066 -12.209 1.00 13.24 O ATOM 979 CB MET A 69 13.056 2.895 -11.233 1.00 13.26 C ATOM 980 CG MET A 69 13.581 1.575 -11.784 1.00 13.52 C ATOM 981 SD MET A 69 13.965 0.380 -10.489 1.00 14.03 S ATOM 982 CE MET A 69 14.459 -1.018 -11.493 1.00 14.29 C ATOM 0 H MET A 69 13.674 5.677 -10.409 1.00 12.22 H new ATOM 0 HA MET A 69 14.212 2.973 -9.430 1.00 12.82 H new ATOM 0 HB2 MET A 69 12.125 2.709 -10.698 1.00 13.26 H new ATOM 0 HB3 MET A 69 12.818 3.556 -12.067 1.00 13.26 H new ATOM 0 HG2 MET A 69 12.839 1.147 -12.458 1.00 13.52 H new ATOM 0 HG3 MET A 69 14.477 1.764 -12.375 1.00 13.52 H new ATOM 0 HE1 MET A 69 14.732 -1.852 -10.846 1.00 14.29 H new ATOM 0 HE2 MET A 69 13.631 -1.314 -12.137 1.00 14.29 H new ATOM 0 HE3 MET A 69 15.315 -0.740 -12.107 1.00 14.29 H new ATOM 992 N ILE A 70 16.428 3.949 -10.203 1.00 13.36 N ATOM 993 CA ILE A 70 17.774 4.157 -10.728 1.00 13.79 C ATOM 994 C ILE A 70 18.770 3.353 -9.888 1.00 14.28 C ATOM 995 O ILE A 70 19.144 3.778 -8.797 1.00 14.51 O ATOM 996 CB ILE A 70 18.195 5.657 -10.710 1.00 13.60 C ATOM 997 CG1 ILE A 70 17.251 6.496 -11.570 1.00 13.34 C ATOM 998 CG2 ILE A 70 19.640 5.830 -11.200 1.00 14.13 C ATOM 999 CD1 ILE A 70 17.536 7.987 -11.529 1.00 13.69 C ATOM 0 H ILE A 70 16.382 3.878 -9.186 1.00 13.36 H new ATOM 0 HA ILE A 70 17.776 3.824 -11.766 1.00 13.79 H new ATOM 0 HB ILE A 70 18.134 6.004 -9.679 1.00 13.60 H new ATOM 0 HG12 ILE A 70 17.316 6.153 -12.603 1.00 13.34 H new ATOM 0 HG13 ILE A 70 16.226 6.324 -11.240 1.00 13.34 H new ATOM 0 HG21 ILE A 70 19.908 6.886 -11.177 1.00 14.13 H new ATOM 0 HG22 ILE A 70 20.314 5.271 -10.551 1.00 14.13 H new ATOM 0 HG23 ILE A 70 19.725 5.456 -12.220 1.00 14.13 H new ATOM 0 HD11 ILE A 70 16.823 8.511 -12.165 1.00 13.69 H new ATOM 0 HD12 ILE A 70 17.442 8.347 -10.505 1.00 13.69 H new ATOM 0 HD13 ILE A 70 18.548 8.174 -11.888 1.00 13.69 H new ATOM 1011 N GLN A 71 19.125 2.153 -10.336 1.00 14.61 N ATOM 1012 CA GLN A 71 20.059 1.326 -9.586 1.00 15.25 C ATOM 1013 C GLN A 71 21.228 0.910 -10.465 1.00 16.12 C ATOM 1014 O GLN A 71 22.064 0.101 -10.070 1.00 16.80 O ATOM 1015 CB GLN A 71 19.350 0.093 -9.015 1.00 15.18 C ATOM 1016 CG GLN A 71 18.926 -0.925 -10.066 1.00 15.42 C ATOM 1017 CD GLN A 71 18.138 -2.074 -9.468 1.00 15.46 C ATOM 1018 OE1 GLN A 71 18.311 -2.412 -8.298 1.00 15.61 O ATOM 1019 NE2 GLN A 71 17.295 -2.702 -10.274 1.00 15.48 N ATOM 0 H GLN A 71 18.785 1.737 -11.203 1.00 14.61 H new ATOM 0 HA GLN A 71 20.446 1.914 -8.754 1.00 15.25 H new ATOM 0 HB2 GLN A 71 20.012 -0.394 -8.299 1.00 15.18 H new ATOM 0 HB3 GLN A 71 18.468 0.418 -8.463 1.00 15.18 H new ATOM 0 HG2 GLN A 71 18.322 -0.429 -10.826 1.00 15.42 H new ATOM 0 HG3 GLN A 71 19.811 -1.316 -10.568 1.00 15.42 H new ATOM 0 HE21 GLN A 71 17.182 -2.389 -11.238 1.00 15.48 H new ATOM 0 HE22 GLN A 71 16.759 -3.499 -9.931 1.00 15.48 H new ATOM 1028 N GLU A 72 21.305 1.516 -11.631 1.00 16.21 N ATOM 1029 CA GLU A 72 22.358 1.202 -12.581 1.00 17.08 C ATOM 1030 C GLU A 72 23.543 2.142 -12.378 1.00 17.64 C ATOM 1031 O GLU A 72 23.368 3.286 -11.956 1.00 17.36 O ATOM 1032 CB GLU A 72 21.828 1.292 -14.014 1.00 17.12 C ATOM 1033 CG GLU A 72 20.650 0.363 -14.277 1.00 16.82 C ATOM 1034 CD GLU A 72 20.290 0.268 -15.743 1.00 16.87 C ATOM 1035 OE1 GLU A 72 20.702 -0.706 -16.403 1.00 16.46 O ATOM 1036 OE2 GLU A 72 19.594 1.178 -16.245 1.00 17.42 O ATOM 0 H GLU A 72 20.650 2.231 -11.947 1.00 16.21 H new ATOM 0 HA GLU A 72 22.696 0.180 -12.410 1.00 17.08 H new ATOM 0 HB2 GLU A 72 21.525 2.319 -14.219 1.00 17.12 H new ATOM 0 HB3 GLU A 72 22.633 1.052 -14.708 1.00 17.12 H new ATOM 0 HG2 GLU A 72 20.888 -0.632 -13.901 1.00 16.82 H new ATOM 0 HG3 GLU A 72 19.784 0.716 -13.718 1.00 16.82 H new ATOM 1043 N PRO A 73 24.766 1.643 -12.605 1.00 18.53 N ATOM 1044 CA PRO A 73 25.990 2.433 -12.421 1.00 19.22 C ATOM 1045 C PRO A 73 26.164 3.528 -13.463 1.00 19.49 C ATOM 1046 O PRO A 73 25.398 3.634 -14.422 1.00 19.26 O ATOM 1047 CB PRO A 73 27.107 1.401 -12.578 1.00 20.10 C ATOM 1048 CG PRO A 73 26.506 0.334 -13.429 1.00 20.05 C ATOM 1049 CD PRO A 73 25.058 0.265 -13.039 1.00 19.04 C ATOM 0 HA PRO A 73 25.978 2.951 -11.462 1.00 19.22 H new ATOM 0 HB2 PRO A 73 27.988 1.837 -13.049 1.00 20.10 H new ATOM 0 HB3 PRO A 73 27.424 1.008 -11.612 1.00 20.10 H new ATOM 0 HG2 PRO A 73 26.615 0.571 -14.487 1.00 20.05 H new ATOM 0 HG3 PRO A 73 27.001 -0.623 -13.264 1.00 20.05 H new ATOM 0 HD2 PRO A 73 24.428 -0.037 -13.876 1.00 19.04 H new ATOM 0 HD3 PRO A 73 24.890 -0.455 -12.238 1.00 19.04 H new ATOM 1057 N ALA A 74 27.216 4.309 -13.283 1.00 20.11 N ATOM 1058 CA ALA A 74 27.544 5.387 -14.192 1.00 20.56 C ATOM 1059 C ALA A 74 29.023 5.737 -14.076 1.00 20.94 C ATOM 1060 O ALA A 74 29.741 5.161 -13.253 1.00 20.85 O ATOM 1061 CB ALA A 74 26.681 6.610 -13.904 1.00 20.34 C ATOM 0 H ALA A 74 27.865 4.211 -12.502 1.00 20.11 H new ATOM 0 HA ALA A 74 27.341 5.059 -15.211 1.00 20.56 H new ATOM 0 HB1 ALA A 74 26.941 7.410 -14.597 1.00 20.34 H new ATOM 0 HB2 ALA A 74 25.630 6.351 -14.028 1.00 20.34 H new ATOM 0 HB3 ALA A 74 26.854 6.945 -12.881 1.00 20.34 H new ATOM 1067 N LEU A 75 29.473 6.691 -14.882 1.00 21.47 N ATOM 1068 CA LEU A 75 30.866 7.116 -14.861 1.00 21.98 C ATOM 1069 C LEU A 75 31.027 8.343 -13.960 1.00 22.04 C ATOM 1070 O LEU A 75 30.096 9.143 -13.847 1.00 21.90 O ATOM 1071 CB LEU A 75 31.368 7.446 -16.277 1.00 22.62 C ATOM 1072 CG LEU A 75 31.539 6.258 -17.236 1.00 22.85 C ATOM 1073 CD1 LEU A 75 32.368 5.154 -16.589 1.00 22.94 C ATOM 1074 CD2 LEU A 75 30.192 5.715 -17.694 1.00 22.46 C ATOM 0 H LEU A 75 28.892 7.185 -15.559 1.00 21.47 H new ATOM 0 HA LEU A 75 31.462 6.293 -14.467 1.00 21.98 H new ATOM 0 HB2 LEU A 75 30.673 8.153 -16.730 1.00 22.62 H new ATOM 0 HB3 LEU A 75 32.328 7.955 -16.189 1.00 22.62 H new ATOM 0 HG LEU A 75 32.071 6.620 -18.116 1.00 22.85 H new ATOM 0 HD11 LEU A 75 32.476 4.323 -17.287 1.00 22.94 H new ATOM 0 HD12 LEU A 75 33.354 5.542 -16.332 1.00 22.94 H new ATOM 0 HD13 LEU A 75 31.868 4.806 -15.685 1.00 22.94 H new ATOM 0 HD21 LEU A 75 30.349 4.876 -18.371 1.00 22.46 H new ATOM 0 HD22 LEU A 75 29.621 5.380 -16.828 1.00 22.46 H new ATOM 0 HD23 LEU A 75 29.640 6.500 -18.211 1.00 22.46 H new ATOM 1086 N PRO A 76 32.192 8.518 -13.300 1.00 22.33 N ATOM 1087 CA PRO A 76 32.433 9.680 -12.434 1.00 22.55 C ATOM 1088 C PRO A 76 32.597 10.959 -13.259 1.00 23.16 C ATOM 1089 O PRO A 76 32.947 10.897 -14.440 1.00 23.54 O ATOM 1090 CB PRO A 76 33.763 9.340 -11.711 1.00 22.90 C ATOM 1091 CG PRO A 76 33.980 7.886 -11.971 1.00 22.69 C ATOM 1092 CD PRO A 76 33.375 7.642 -13.338 1.00 22.58 C ATOM 0 HA PRO A 76 31.605 9.861 -11.749 1.00 22.55 H new ATOM 0 HB2 PRO A 76 34.588 9.938 -12.099 1.00 22.90 H new ATOM 0 HB3 PRO A 76 33.696 9.545 -10.643 1.00 22.90 H new ATOM 0 HG2 PRO A 76 35.041 7.636 -11.958 1.00 22.69 H new ATOM 0 HG3 PRO A 76 33.498 7.272 -11.210 1.00 22.69 H new ATOM 0 HD2 PRO A 76 34.059 7.912 -14.143 1.00 22.58 H new ATOM 0 HD3 PRO A 76 33.106 6.596 -13.486 1.00 22.58 H new ATOM 1100 N PRO A 77 32.301 12.128 -12.665 1.00 23.33 N ATOM 1101 CA PRO A 77 32.438 13.423 -13.341 1.00 24.01 C ATOM 1102 C PRO A 77 33.799 13.595 -14.005 1.00 24.77 C ATOM 1103 O PRO A 77 34.845 13.473 -13.362 1.00 25.03 O ATOM 1104 CB PRO A 77 32.268 14.421 -12.194 1.00 24.14 C ATOM 1105 CG PRO A 77 31.325 13.723 -11.293 1.00 23.57 C ATOM 1106 CD PRO A 77 31.776 12.284 -11.298 1.00 23.01 C ATOM 0 HA PRO A 77 31.719 13.546 -14.151 1.00 24.01 H new ATOM 0 HB2 PRO A 77 33.216 14.636 -11.700 1.00 24.14 H new ATOM 0 HB3 PRO A 77 31.867 15.373 -12.542 1.00 24.14 H new ATOM 0 HG2 PRO A 77 31.355 14.143 -10.288 1.00 23.57 H new ATOM 0 HG3 PRO A 77 30.298 13.816 -11.647 1.00 23.57 H new ATOM 0 HD2 PRO A 77 32.540 12.094 -10.544 1.00 23.01 H new ATOM 0 HD3 PRO A 77 30.953 11.598 -11.097 1.00 23.01 H new ATOM 1114 N GLY A 78 33.774 13.876 -15.296 1.00 25.21 N ATOM 1115 CA GLY A 78 35.011 14.057 -16.040 1.00 26.01 C ATOM 1116 C GLY A 78 35.489 12.802 -16.762 1.00 25.92 C ATOM 1117 O GLY A 78 36.238 12.902 -17.737 1.00 26.59 O ATOM 0 H GLY A 78 32.922 13.983 -15.847 1.00 25.21 H new ATOM 0 HA2 GLY A 78 34.870 14.853 -16.771 1.00 26.01 H new ATOM 0 HA3 GLY A 78 35.791 14.388 -15.354 1.00 26.01 H new ATOM 1121 N TRP A 79 35.108 11.622 -16.275 1.00 25.19 N ATOM 1122 CA TRP A 79 35.510 10.369 -16.929 1.00 25.16 C ATOM 1123 C TRP A 79 34.507 10.005 -18.025 1.00 24.97 C ATOM 1124 O TRP A 79 33.299 10.150 -17.837 1.00 24.43 O ATOM 1125 CB TRP A 79 35.596 9.214 -15.916 1.00 24.58 C ATOM 1126 CG TRP A 79 36.729 9.334 -14.944 1.00 24.92 C ATOM 1127 CD1 TRP A 79 36.762 10.075 -13.794 1.00 24.92 C ATOM 1128 CD2 TRP A 79 37.991 8.667 -15.028 1.00 25.44 C ATOM 1129 NE1 TRP A 79 37.982 9.929 -13.177 1.00 25.41 N ATOM 1130 CE2 TRP A 79 38.754 9.066 -13.915 1.00 25.73 C ATOM 1131 CE3 TRP A 79 38.554 7.772 -15.945 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 40.050 8.597 -13.698 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 39.833 7.313 -15.729 1.00 26.34 C ATOM 1134 CH2 TRP A 79 40.570 7.725 -14.616 1.00 26.61 C ATOM 0 H TRP A 79 34.530 11.503 -15.443 1.00 25.19 H new ATOM 0 HA TRP A 79 36.497 10.523 -17.366 1.00 25.16 H new ATOM 0 HB2 TRP A 79 34.659 9.162 -15.361 1.00 24.58 H new ATOM 0 HB3 TRP A 79 35.697 8.275 -16.460 1.00 24.58 H new ATOM 0 HD1 TRP A 79 35.950 10.684 -13.426 1.00 24.92 H new ATOM 0 HE1 TRP A 79 38.267 10.387 -12.312 1.00 25.41 H new ATOM 0 HE3 TRP A 79 37.993 7.447 -16.809 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 40.622 8.911 -12.837 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 40.275 6.622 -16.432 1.00 26.34 H new ATOM 0 HH2 TRP A 79 41.572 7.347 -14.477 1.00 26.61 H new ATOM 1145 N GLU A 80 35.004 9.552 -19.174 1.00 25.51 N ATOM 1146 CA GLU A 80 34.139 9.163 -20.276 1.00 25.50 C ATOM 1147 C GLU A 80 34.555 7.804 -20.828 1.00 25.52 C ATOM 1148 O GLU A 80 35.738 7.554 -21.066 1.00 25.91 O ATOM 1149 CB GLU A 80 34.190 10.212 -21.393 1.00 26.28 C ATOM 1150 CG GLU A 80 33.713 11.591 -20.969 1.00 26.33 C ATOM 1151 CD GLU A 80 33.823 12.606 -22.086 1.00 26.69 C ATOM 1152 OE1 GLU A 80 33.170 13.669 -21.998 1.00 26.95 O ATOM 1153 OE2 GLU A 80 34.564 12.349 -23.054 1.00 26.80 O ATOM 0 H GLU A 80 36.001 9.447 -19.362 1.00 25.51 H new ATOM 0 HA GLU A 80 33.118 9.095 -19.899 1.00 25.50 H new ATOM 0 HB2 GLU A 80 35.214 10.290 -21.758 1.00 26.28 H new ATOM 0 HB3 GLU A 80 33.579 9.869 -22.228 1.00 26.28 H new ATOM 0 HG2 GLU A 80 32.676 11.529 -20.639 1.00 26.33 H new ATOM 0 HG3 GLU A 80 34.300 11.929 -20.115 1.00 26.33 H new ATOM 1160 N MET A 81 33.586 6.912 -20.964 1.00 25.18 N ATOM 1161 CA MET A 81 33.823 5.597 -21.546 1.00 25.27 C ATOM 1162 C MET A 81 33.487 5.642 -23.037 1.00 25.77 C ATOM 1163 O MET A 81 32.409 6.096 -23.416 1.00 25.60 O ATOM 1164 CB MET A 81 32.992 4.530 -20.822 1.00 24.50 C ATOM 1165 CG MET A 81 32.903 3.206 -21.570 1.00 24.68 C ATOM 1166 SD MET A 81 32.179 1.882 -20.575 1.00 24.52 S ATOM 1167 CE MET A 81 31.823 0.655 -21.832 1.00 24.27 C ATOM 0 H MET A 81 32.621 7.075 -20.677 1.00 25.18 H new ATOM 0 HA MET A 81 34.873 5.329 -21.428 1.00 25.27 H new ATOM 0 HB2 MET A 81 33.425 4.352 -19.838 1.00 24.50 H new ATOM 0 HB3 MET A 81 31.985 4.914 -20.662 1.00 24.50 H new ATOM 0 HG2 MET A 81 32.306 3.344 -22.472 1.00 24.68 H new ATOM 0 HG3 MET A 81 33.901 2.908 -21.891 1.00 24.68 H new ATOM 0 HE1 MET A 81 31.372 -0.222 -21.367 1.00 24.27 H new ATOM 0 HE2 MET A 81 31.132 1.074 -22.564 1.00 24.27 H new ATOM 0 HE3 MET A 81 32.748 0.366 -22.330 1.00 24.27 H new ATOM 1177 N LYS A 82 34.403 5.170 -23.883 1.00 26.46 N ATOM 1178 CA LYS A 82 34.222 5.278 -25.333 1.00 27.08 C ATOM 1179 C LYS A 82 34.783 4.029 -26.017 1.00 27.55 C ATOM 1180 O LYS A 82 35.581 3.298 -25.424 1.00 27.58 O ATOM 1181 CB LYS A 82 34.926 6.546 -25.877 1.00 27.79 C ATOM 1182 CG LYS A 82 34.597 7.846 -25.134 1.00 27.45 C ATOM 1183 CD LYS A 82 33.591 8.705 -25.882 1.00 28.23 C ATOM 1184 CE LYS A 82 33.419 10.055 -25.197 1.00 28.14 C ATOM 1185 NZ LYS A 82 34.664 10.870 -25.225 1.00 28.22 N ATOM 0 H LYS A 82 35.269 4.714 -23.595 1.00 26.46 H new ATOM 0 HA LYS A 82 33.157 5.358 -25.549 1.00 27.08 H new ATOM 0 HB2 LYS A 82 36.004 6.388 -25.839 1.00 27.79 H new ATOM 0 HB3 LYS A 82 34.658 6.669 -26.926 1.00 27.79 H new ATOM 0 HG2 LYS A 82 34.202 7.606 -24.147 1.00 27.45 H new ATOM 0 HG3 LYS A 82 35.514 8.415 -24.981 1.00 27.45 H new ATOM 0 HD2 LYS A 82 33.925 8.853 -26.909 1.00 28.23 H new ATOM 0 HD3 LYS A 82 32.631 8.191 -25.930 1.00 28.23 H new ATOM 0 HE2 LYS A 82 32.616 10.607 -25.685 1.00 28.14 H new ATOM 0 HE3 LYS A 82 33.114 9.898 -24.162 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 34.976 11.061 -24.251 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 35.409 10.349 -25.731 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 34.479 11.770 -25.712 1.00 28.22 H new ATOM 1199 N TYR A 83 34.304 3.746 -27.227 1.00 27.96 N ATOM 1200 CA TYR A 83 34.783 2.599 -28.007 1.00 28.50 C ATOM 1201 C TYR A 83 35.465 3.078 -29.284 1.00 29.50 C ATOM 1202 O TYR A 83 35.081 4.106 -29.843 1.00 29.77 O ATOM 1203 CB TYR A 83 33.619 1.675 -28.417 1.00 28.32 C ATOM 1204 CG TYR A 83 32.973 0.900 -27.291 1.00 27.47 C ATOM 1205 CD1 TYR A 83 33.510 -0.303 -26.848 1.00 27.19 C ATOM 1206 CD2 TYR A 83 31.790 1.345 -26.712 1.00 27.03 C ATOM 1207 CE1 TYR A 83 32.889 -1.040 -25.854 1.00 26.48 C ATOM 1208 CE2 TYR A 83 31.170 0.621 -25.714 1.00 26.32 C ATOM 1209 CZ TYR A 83 31.720 -0.573 -25.291 1.00 26.04 C ATOM 1210 OH TYR A 83 31.090 -1.310 -24.310 1.00 25.39 O ATOM 0 H TYR A 83 33.582 4.296 -27.693 1.00 27.96 H new ATOM 0 HA TYR A 83 35.483 2.051 -27.376 1.00 28.50 H new ATOM 0 HB2 TYR A 83 32.854 2.279 -28.904 1.00 28.32 H new ATOM 0 HB3 TYR A 83 33.986 0.966 -29.159 1.00 28.32 H new ATOM 0 HD1 TYR A 83 34.427 -0.669 -27.286 1.00 27.19 H new ATOM 0 HD2 TYR A 83 31.349 2.272 -27.048 1.00 27.03 H new ATOM 0 HE1 TYR A 83 33.317 -1.974 -25.522 1.00 26.48 H new ATOM 0 HE2 TYR A 83 30.258 0.987 -25.266 1.00 26.32 H new ATOM 0 HH TYR A 83 30.280 -0.841 -24.018 1.00 25.39 H new ATOM 1220 N THR A 84 36.489 2.359 -29.730 1.00 30.09 N ATOM 1221 CA THR A 84 37.119 2.666 -31.006 1.00 31.09 C ATOM 1222 C THR A 84 36.315 2.023 -32.139 1.00 31.47 C ATOM 1223 O THR A 84 35.271 1.411 -31.896 1.00 30.98 O ATOM 1224 CB THR A 84 38.581 2.168 -31.079 1.00 31.69 C ATOM 1225 OG1 THR A 84 38.623 0.743 -30.964 1.00 31.75 O ATOM 1226 CG2 THR A 84 39.447 2.784 -29.990 1.00 31.35 C ATOM 0 H THR A 84 36.896 1.568 -29.232 1.00 30.09 H new ATOM 0 HA THR A 84 37.133 3.751 -31.108 1.00 31.09 H new ATOM 0 HB THR A 84 38.979 2.477 -32.046 1.00 31.69 H new ATOM 0 HG1 THR A 84 39.393 0.397 -31.462 1.00 31.75 H new ATOM 0 HG21 THR A 84 40.466 2.407 -30.078 1.00 31.35 H new ATOM 0 HG22 THR A 84 39.451 3.869 -30.098 1.00 31.35 H new ATOM 0 HG23 THR A 84 39.045 2.519 -29.012 1.00 31.35 H new ATOM 1234 N SER A 85 36.823 2.128 -33.360 1.00 32.40 N ATOM 1235 CA SER A 85 36.158 1.576 -34.538 1.00 32.91 C ATOM 1236 C SER A 85 35.916 0.067 -34.416 1.00 33.07 C ATOM 1237 O SER A 85 34.803 -0.412 -34.638 1.00 33.44 O ATOM 1238 CB SER A 85 37.007 1.882 -35.768 1.00 33.91 C ATOM 1239 OG SER A 85 38.384 1.674 -35.481 1.00 34.32 O ATOM 0 H SER A 85 37.706 2.597 -33.564 1.00 32.40 H new ATOM 0 HA SER A 85 35.177 2.042 -34.629 1.00 32.91 H new ATOM 0 HB2 SER A 85 36.701 1.244 -36.597 1.00 33.91 H new ATOM 0 HB3 SER A 85 36.846 2.913 -36.082 1.00 33.91 H new ATOM 0 HG SER A 85 38.918 1.872 -36.279 1.00 34.32 H new ATOM 1245 N GLU A 86 36.949 -0.673 -34.024 1.00 32.82 N ATOM 1246 CA GLU A 86 36.836 -2.137 -33.884 1.00 33.03 C ATOM 1247 C GLU A 86 36.262 -2.537 -32.524 1.00 32.13 C ATOM 1248 O GLU A 86 36.280 -3.714 -32.158 1.00 32.23 O ATOM 1249 CB GLU A 86 38.203 -2.799 -34.070 1.00 33.61 C ATOM 1250 CG GLU A 86 38.736 -2.712 -35.486 1.00 34.45 C ATOM 1251 CD GLU A 86 40.020 -3.491 -35.647 1.00 34.93 C ATOM 1252 OE1 GLU A 86 41.093 -2.865 -35.758 1.00 34.87 O ATOM 1253 OE2 GLU A 86 39.965 -4.737 -35.636 1.00 35.43 O ATOM 0 H GLU A 86 37.869 -0.296 -33.798 1.00 32.82 H new ATOM 0 HA GLU A 86 36.151 -2.481 -34.659 1.00 33.03 H new ATOM 0 HB2 GLU A 86 38.918 -2.332 -33.393 1.00 33.61 H new ATOM 0 HB3 GLU A 86 38.131 -3.848 -33.783 1.00 33.61 H new ATOM 0 HG2 GLU A 86 37.988 -3.095 -36.181 1.00 34.45 H new ATOM 0 HG3 GLU A 86 38.908 -1.668 -35.747 1.00 34.45 H new ATOM 1260 N GLY A 87 35.772 -1.562 -31.774 1.00 31.30 N ATOM 1261 CA GLY A 87 35.153 -1.853 -30.493 1.00 30.42 C ATOM 1262 C GLY A 87 36.139 -1.980 -29.346 1.00 30.02 C ATOM 1263 O GLY A 87 35.852 -2.646 -28.349 1.00 29.44 O ATOM 0 H GLY A 87 35.791 -0.574 -32.027 1.00 31.30 H new ATOM 0 HA2 GLY A 87 34.438 -1.064 -30.259 1.00 30.42 H new ATOM 0 HA3 GLY A 87 34.587 -2.781 -30.577 1.00 30.42 H new ATOM 1267 N VAL A 88 37.303 -1.358 -29.470 1.00 30.40 N ATOM 1268 CA VAL A 88 38.285 -1.388 -28.396 1.00 30.17 C ATOM 1269 C VAL A 88 37.911 -0.354 -27.334 1.00 29.38 C ATOM 1270 O VAL A 88 37.668 0.811 -27.646 1.00 29.40 O ATOM 1271 CB VAL A 88 39.717 -1.126 -28.917 1.00 31.05 C ATOM 1272 CG1 VAL A 88 40.708 -1.053 -27.771 1.00 30.89 C ATOM 1273 CG2 VAL A 88 40.135 -2.204 -29.910 1.00 31.86 C ATOM 0 H VAL A 88 37.589 -0.831 -30.295 1.00 30.40 H new ATOM 0 HA VAL A 88 38.277 -2.386 -27.958 1.00 30.17 H new ATOM 0 HB VAL A 88 39.715 -0.164 -29.429 1.00 31.05 H new ATOM 0 HG11 VAL A 88 41.707 -0.868 -28.165 1.00 30.89 H new ATOM 0 HG12 VAL A 88 40.427 -0.242 -27.098 1.00 30.89 H new ATOM 0 HG13 VAL A 88 40.702 -1.996 -27.225 1.00 30.89 H new ATOM 0 HG21 VAL A 88 41.146 -2.000 -30.264 1.00 31.86 H new ATOM 0 HG22 VAL A 88 40.111 -3.178 -29.421 1.00 31.86 H new ATOM 0 HG23 VAL A 88 39.448 -2.206 -30.756 1.00 31.86 H new ATOM 1283 N ARG A 89 37.777 -0.819 -26.101 1.00 28.74 N ATOM 1284 CA ARG A 89 37.365 0.028 -24.986 1.00 27.99 C ATOM 1285 C ARG A 89 38.501 0.940 -24.529 1.00 28.23 C ATOM 1286 O ARG A 89 39.547 0.461 -24.090 1.00 28.54 O ATOM 1287 CB ARG A 89 36.920 -0.854 -23.816 1.00 27.21 C ATOM 1288 CG ARG A 89 36.237 -0.097 -22.686 1.00 26.48 C ATOM 1289 CD ARG A 89 35.936 -1.016 -21.510 1.00 25.83 C ATOM 1290 NE ARG A 89 34.875 -0.489 -20.655 1.00 25.29 N ATOM 1291 CZ ARG A 89 34.326 -1.165 -19.644 1.00 24.70 C ATOM 1292 NH1 ARG A 89 34.835 -2.324 -19.249 1.00 24.55 N ATOM 1293 NH2 ARG A 89 33.273 -0.671 -19.007 1.00 24.34 N ATOM 0 H ARG A 89 37.950 -1.791 -25.843 1.00 28.74 H new ATOM 0 HA ARG A 89 36.539 0.655 -25.322 1.00 27.99 H new ATOM 0 HB2 ARG A 89 36.238 -1.617 -24.191 1.00 27.21 H new ATOM 0 HB3 ARG A 89 37.791 -1.373 -23.416 1.00 27.21 H new ATOM 0 HG2 ARG A 89 36.875 0.723 -22.356 1.00 26.48 H new ATOM 0 HG3 ARG A 89 35.311 0.347 -23.050 1.00 26.48 H new ATOM 0 HD2 ARG A 89 35.645 -1.998 -21.884 1.00 25.83 H new ATOM 0 HD3 ARG A 89 36.841 -1.155 -20.919 1.00 25.83 H new ATOM 0 HE ARG A 89 34.533 0.453 -20.842 1.00 25.29 H new ATOM 0 HH11 ARG A 89 35.655 -2.708 -19.719 1.00 24.55 H new ATOM 0 HH12 ARG A 89 34.407 -2.832 -18.475 1.00 24.55 H new ATOM 0 HH21 ARG A 89 32.881 0.227 -19.290 1.00 24.34 H new ATOM 0 HH22 ARG A 89 32.855 -1.189 -18.234 1.00 24.34 H new ATOM 1307 N TYR A 90 38.300 2.249 -24.636 1.00 28.18 N ATOM 1308 CA TYR A 90 39.288 3.197 -24.149 1.00 28.46 C ATOM 1309 C TYR A 90 38.593 4.248 -23.288 1.00 27.80 C ATOM 1310 O TYR A 90 37.387 4.462 -23.428 1.00 27.31 O ATOM 1311 CB TYR A 90 40.087 3.844 -25.297 1.00 29.43 C ATOM 1312 CG TYR A 90 39.347 4.829 -26.183 1.00 29.57 C ATOM 1313 CD1 TYR A 90 38.449 4.380 -27.142 1.00 29.65 C ATOM 1314 CD2 TYR A 90 39.498 6.198 -26.021 1.00 29.70 C ATOM 1315 CE1 TYR A 90 37.726 5.266 -27.916 1.00 29.86 C ATOM 1316 CE2 TYR A 90 38.782 7.094 -26.794 1.00 29.91 C ATOM 1317 CZ TYR A 90 38.086 6.645 -27.874 1.00 30.05 C ATOM 1318 OH TYR A 90 37.171 7.504 -28.508 1.00 30.27 O ATOM 0 H TYR A 90 37.470 2.672 -25.052 1.00 28.18 H new ATOM 0 HA TYR A 90 40.015 2.659 -23.541 1.00 28.46 H new ATOM 0 HB2 TYR A 90 40.946 4.357 -24.865 1.00 29.43 H new ATOM 0 HB3 TYR A 90 40.477 3.047 -25.929 1.00 29.43 H new ATOM 0 HD1 TYR A 90 38.313 3.318 -27.285 1.00 29.65 H new ATOM 0 HD2 TYR A 90 40.187 6.571 -25.278 1.00 29.70 H new ATOM 0 HE1 TYR A 90 36.910 4.924 -28.536 1.00 29.86 H new ATOM 0 HE2 TYR A 90 38.775 8.144 -26.542 1.00 29.91 H new ATOM 0 HH TYR A 90 37.486 8.429 -28.436 1.00 30.27 H new ATOM 1328 N PHE A 91 39.320 4.859 -22.362 1.00 27.84 N ATOM 1329 CA PHE A 91 38.724 5.851 -21.480 1.00 27.29 C ATOM 1330 C PHE A 91 39.277 7.237 -21.766 1.00 27.91 C ATOM 1331 O PHE A 91 40.440 7.397 -22.154 1.00 28.69 O ATOM 1332 CB PHE A 91 38.926 5.480 -20.008 1.00 26.81 C ATOM 1333 CG PHE A 91 37.925 4.471 -19.500 1.00 26.08 C ATOM 1334 CD1 PHE A 91 36.967 4.819 -18.556 1.00 25.34 C ATOM 1335 CD2 PHE A 91 37.948 3.164 -19.967 1.00 26.22 C ATOM 1336 CE1 PHE A 91 36.060 3.890 -18.095 1.00 24.76 C ATOM 1337 CE2 PHE A 91 37.037 2.231 -19.507 1.00 25.66 C ATOM 1338 CZ PHE A 91 36.069 2.626 -18.557 1.00 24.89 C ATOM 0 H PHE A 91 40.313 4.687 -22.203 1.00 27.84 H new ATOM 0 HA PHE A 91 37.652 5.865 -21.677 1.00 27.29 H new ATOM 0 HB2 PHE A 91 39.932 5.081 -19.877 1.00 26.81 H new ATOM 0 HB3 PHE A 91 38.860 6.383 -19.401 1.00 26.81 H new ATOM 0 HD1 PHE A 91 36.933 5.830 -18.179 1.00 25.34 H new ATOM 0 HD2 PHE A 91 38.687 2.872 -20.699 1.00 26.22 H new ATOM 0 HE1 PHE A 91 35.332 4.180 -17.352 1.00 24.76 H new ATOM 0 HE2 PHE A 91 37.065 1.214 -19.869 1.00 25.66 H new ATOM 0 HZ PHE A 91 35.338 1.915 -18.202 1.00 24.89 H new ATOM 1348 N VAL A 92 38.421 8.230 -21.606 1.00 27.61 N ATOM 1349 CA VAL A 92 38.775 9.603 -21.897 1.00 28.23 C ATOM 1350 C VAL A 92 38.766 10.459 -20.634 1.00 27.94 C ATOM 1351 O VAL A 92 37.711 10.664 -20.024 1.00 27.26 O ATOM 1352 CB VAL A 92 37.784 10.214 -22.915 1.00 28.37 C ATOM 1353 CG1 VAL A 92 38.137 11.662 -23.229 1.00 29.13 C ATOM 1354 CG2 VAL A 92 37.740 9.390 -24.193 1.00 28.67 C ATOM 0 H VAL A 92 37.465 8.106 -21.272 1.00 27.61 H new ATOM 0 HA VAL A 92 39.781 9.594 -22.315 1.00 28.23 H new ATOM 0 HB VAL A 92 36.794 10.198 -22.460 1.00 28.37 H new ATOM 0 HG11 VAL A 92 37.422 12.063 -23.947 1.00 29.13 H new ATOM 0 HG12 VAL A 92 38.101 12.252 -22.313 1.00 29.13 H new ATOM 0 HG13 VAL A 92 39.141 11.708 -23.651 1.00 29.13 H new ATOM 0 HG21 VAL A 92 37.036 9.841 -24.892 1.00 28.67 H new ATOM 0 HG22 VAL A 92 38.732 9.364 -24.643 1.00 28.67 H new ATOM 0 HG23 VAL A 92 37.420 8.374 -23.960 1.00 28.67 H new ATOM 1364 N ASP A 93 39.942 10.916 -20.220 1.00 28.50 N ATOM 1365 CA ASP A 93 40.045 11.844 -19.095 1.00 28.42 C ATOM 1366 C ASP A 93 39.733 13.247 -19.611 1.00 28.86 C ATOM 1367 O ASP A 93 40.622 13.943 -20.106 1.00 29.70 O ATOM 1368 CB ASP A 93 41.451 11.831 -18.465 1.00 29.01 C ATOM 1369 CG ASP A 93 41.686 10.675 -17.523 1.00 28.68 C ATOM 1370 OD1 ASP A 93 41.558 10.868 -16.300 1.00 28.33 O ATOM 1371 OD2 ASP A 93 41.947 9.555 -18.012 1.00 28.82 O ATOM 0 H ASP A 93 40.835 10.662 -20.643 1.00 28.50 H new ATOM 0 HA ASP A 93 39.339 11.539 -18.322 1.00 28.42 H new ATOM 0 HB2 ASP A 93 42.195 11.796 -19.261 1.00 29.01 H new ATOM 0 HB3 ASP A 93 41.606 12.765 -17.925 1.00 29.01 H new ATOM 1376 N HIS A 94 38.466 13.656 -19.530 1.00 28.36 N ATOM 1377 CA HIS A 94 38.039 14.943 -20.075 1.00 28.81 C ATOM 1378 C HIS A 94 38.451 16.084 -19.139 1.00 29.31 C ATOM 1379 O HIS A 94 38.114 17.247 -19.366 1.00 29.90 O ATOM 1380 CB HIS A 94 36.514 14.951 -20.305 1.00 28.18 C ATOM 1381 CG HIS A 94 36.075 15.852 -21.424 1.00 28.49 C ATOM 1382 ND1 HIS A 94 34.935 15.633 -22.171 1.00 28.32 N ATOM 1383 CD2 HIS A 94 36.642 16.964 -21.934 1.00 29.05 C ATOM 1384 CE1 HIS A 94 34.822 16.578 -23.084 1.00 28.75 C ATOM 1385 NE2 HIS A 94 35.850 17.399 -22.966 1.00 29.20 N ATOM 0 H HIS A 94 37.720 13.115 -19.093 1.00 28.36 H new ATOM 0 HA HIS A 94 38.531 15.094 -21.036 1.00 28.81 H new ATOM 0 HB2 HIS A 94 36.183 13.935 -20.518 1.00 28.18 H new ATOM 0 HB3 HIS A 94 36.019 15.262 -19.385 1.00 28.18 H new ATOM 0 HD1 HIS A 94 34.282 14.861 -22.038 1.00 28.32 H new ATOM 0 HD2 HIS A 94 37.555 17.428 -21.592 1.00 29.05 H new ATOM 0 HE1 HIS A 94 34.024 16.666 -23.806 1.00 28.75 H new ATOM 1394 N ASN A 95 39.216 15.745 -18.106 1.00 29.17 N ATOM 1395 CA ASN A 95 39.691 16.735 -17.143 1.00 29.71 C ATOM 1396 C ASN A 95 41.043 17.313 -17.578 1.00 30.73 C ATOM 1397 O ASN A 95 41.197 18.526 -17.673 1.00 31.42 O ATOM 1398 CB ASN A 95 39.789 16.135 -15.716 1.00 29.28 C ATOM 1399 CG ASN A 95 40.670 14.895 -15.642 1.00 29.19 C ATOM 1400 OD1 ASN A 95 41.878 14.981 -15.429 1.00 29.80 O ATOM 1401 ND2 ASN A 95 40.064 13.728 -15.790 1.00 28.49 N ATOM 0 H ASN A 95 39.521 14.791 -17.913 1.00 29.17 H new ATOM 0 HA ASN A 95 38.962 17.545 -17.116 1.00 29.71 H new ATOM 0 HB2 ASN A 95 40.182 16.892 -15.037 1.00 29.28 H new ATOM 0 HB3 ASN A 95 38.788 15.882 -15.366 1.00 29.28 H new ATOM 0 HD21 ASN A 95 40.601 12.863 -15.728 1.00 28.49 H new ATOM 0 HD22 ASN A 95 39.060 13.693 -15.966 1.00 28.49 H new ATOM 1408 N THR A 96 42.001 16.444 -17.892 1.00 30.87 N ATOM 1409 CA THR A 96 43.326 16.889 -18.300 1.00 31.86 C ATOM 1410 C THR A 96 43.549 16.715 -19.799 1.00 32.23 C ATOM 1411 O THR A 96 44.643 16.976 -20.302 1.00 33.14 O ATOM 1412 CB THR A 96 44.418 16.129 -17.526 1.00 31.96 C ATOM 1413 OG1 THR A 96 44.115 14.722 -17.514 1.00 31.19 O ATOM 1414 CG2 THR A 96 44.534 16.652 -16.096 1.00 32.02 C ATOM 0 H THR A 96 41.883 15.431 -17.871 1.00 30.87 H new ATOM 0 HA THR A 96 43.389 17.952 -18.068 1.00 31.86 H new ATOM 0 HB THR A 96 45.373 16.289 -18.026 1.00 31.96 H new ATOM 0 HG1 THR A 96 44.243 14.352 -18.413 1.00 31.19 H new ATOM 0 HG21 THR A 96 45.312 16.100 -15.569 1.00 32.02 H new ATOM 0 HG22 THR A 96 44.791 17.711 -16.116 1.00 32.02 H new ATOM 0 HG23 THR A 96 43.582 16.519 -15.582 1.00 32.02 H new ATOM 1422 N ARG A 97 42.503 16.287 -20.505 1.00 31.56 N ATOM 1423 CA ARG A 97 42.578 16.051 -21.955 1.00 31.87 C ATOM 1424 C ARG A 97 43.614 14.990 -22.278 1.00 32.27 C ATOM 1425 O ARG A 97 44.722 15.280 -22.736 1.00 33.03 O ATOM 1426 CB ARG A 97 42.865 17.339 -22.716 1.00 32.70 C ATOM 1427 CG ARG A 97 41.624 18.186 -22.910 1.00 32.43 C ATOM 1428 CD ARG A 97 41.936 19.479 -23.637 1.00 33.36 C ATOM 1429 NE ARG A 97 42.620 19.246 -24.909 1.00 33.97 N ATOM 1430 CZ ARG A 97 43.011 20.216 -25.731 1.00 34.73 C ATOM 1431 NH1 ARG A 97 42.763 21.483 -25.423 1.00 35.00 N ATOM 1432 NH2 ARG A 97 43.630 19.912 -26.862 1.00 35.29 N ATOM 0 H ARG A 97 41.588 16.095 -20.098 1.00 31.56 H new ATOM 0 HA ARG A 97 41.604 15.686 -22.280 1.00 31.87 H new ATOM 0 HB2 ARG A 97 43.615 17.917 -22.176 1.00 32.70 H new ATOM 0 HB3 ARG A 97 43.291 17.095 -23.689 1.00 32.70 H new ATOM 0 HG2 ARG A 97 40.882 17.621 -23.474 1.00 32.43 H new ATOM 0 HG3 ARG A 97 41.182 18.412 -21.940 1.00 32.43 H new ATOM 0 HD2 ARG A 97 41.010 20.024 -23.819 1.00 33.36 H new ATOM 0 HD3 ARG A 97 42.558 20.110 -23.002 1.00 33.36 H new ATOM 0 HE ARG A 97 42.808 18.281 -25.182 1.00 33.97 H new ATOM 0 HH11 ARG A 97 42.274 21.711 -24.558 1.00 35.00 H new ATOM 0 HH12 ARG A 97 43.062 22.229 -26.052 1.00 35.00 H new ATOM 0 HH21 ARG A 97 43.806 18.936 -27.101 1.00 35.29 H new ATOM 0 HH22 ARG A 97 43.931 20.654 -27.494 1.00 35.29 H new ATOM 1446 N THR A 98 43.223 13.760 -22.039 1.00 31.75 N ATOM 1447 CA THR A 98 44.105 12.615 -22.221 1.00 32.09 C ATOM 1448 C THR A 98 43.280 11.354 -22.481 1.00 31.35 C ATOM 1449 O THR A 98 42.097 11.307 -22.135 1.00 30.48 O ATOM 1450 CB THR A 98 44.988 12.396 -20.965 1.00 32.35 C ATOM 1451 OG1 THR A 98 44.284 12.839 -19.793 1.00 32.15 O ATOM 1452 CG2 THR A 98 46.325 13.136 -21.069 1.00 32.59 C ATOM 0 H THR A 98 42.287 13.518 -21.713 1.00 31.75 H new ATOM 0 HA THR A 98 44.749 12.816 -23.077 1.00 32.09 H new ATOM 0 HB THR A 98 45.201 11.329 -20.894 1.00 32.35 H new ATOM 0 HG1 THR A 98 44.788 12.582 -18.992 1.00 32.15 H new ATOM 0 HG21 THR A 98 46.912 12.955 -20.168 1.00 32.59 H new ATOM 0 HG22 THR A 98 46.874 12.775 -21.939 1.00 32.59 H new ATOM 0 HG23 THR A 98 46.142 14.205 -21.174 1.00 32.59 H new ATOM 1460 N THR A 99 43.890 10.346 -23.098 1.00 31.74 N ATOM 1461 CA THR A 99 43.206 9.086 -23.368 1.00 31.18 C ATOM 1462 C THR A 99 43.987 7.926 -22.740 1.00 31.15 C ATOM 1463 O THR A 99 45.205 7.846 -22.908 1.00 31.92 O ATOM 1464 CB THR A 99 43.059 8.851 -24.896 1.00 31.73 C ATOM 1465 OG1 THR A 99 44.283 9.210 -25.561 1.00 32.77 O ATOM 1466 CG2 THR A 99 41.898 9.678 -25.481 1.00 31.59 C ATOM 0 H THR A 99 44.857 10.378 -23.420 1.00 31.74 H new ATOM 0 HA THR A 99 42.210 9.136 -22.929 1.00 31.18 H new ATOM 0 HB THR A 99 42.843 7.795 -25.056 1.00 31.73 H new ATOM 0 HG1 THR A 99 45.046 8.965 -24.997 1.00 32.77 H new ATOM 0 HG21 THR A 99 41.822 9.491 -26.552 1.00 31.59 H new ATOM 0 HG22 THR A 99 40.966 9.391 -24.995 1.00 31.59 H new ATOM 0 HG23 THR A 99 42.084 10.738 -25.310 1.00 31.59 H new ATOM 1474 N THR A 100 43.312 7.025 -22.027 1.00 30.32 N ATOM 1475 CA THR A 100 44.007 5.934 -21.360 1.00 30.31 C ATOM 1476 C THR A 100 43.234 4.622 -21.477 1.00 29.79 C ATOM 1477 O THR A 100 42.035 4.608 -21.760 1.00 29.19 O ATOM 1478 CB THR A 100 44.271 6.260 -19.869 1.00 29.94 C ATOM 1479 OG1 THR A 100 45.077 5.236 -19.271 1.00 30.23 O ATOM 1480 CG2 THR A 100 42.969 6.402 -19.094 1.00 28.90 C ATOM 0 H THR A 100 42.300 7.031 -21.900 1.00 30.32 H new ATOM 0 HA THR A 100 44.966 5.815 -21.864 1.00 30.31 H new ATOM 0 HB THR A 100 44.802 7.211 -19.827 1.00 29.94 H new ATOM 0 HG1 THR A 100 45.238 5.455 -18.329 1.00 30.23 H new ATOM 0 HG21 THR A 100 43.189 6.631 -18.051 1.00 28.90 H new ATOM 0 HG22 THR A 100 42.375 7.208 -19.525 1.00 28.90 H new ATOM 0 HG23 THR A 100 42.409 5.469 -19.150 1.00 28.90 H new ATOM 1488 N PHE A 101 43.943 3.517 -21.312 1.00 30.11 N ATOM 1489 CA PHE A 101 43.335 2.200 -21.372 1.00 29.74 C ATOM 1490 C PHE A 101 43.288 1.582 -19.984 1.00 29.28 C ATOM 1491 O PHE A 101 44.293 1.081 -19.486 1.00 29.75 O ATOM 1492 CB PHE A 101 44.113 1.288 -22.324 1.00 30.55 C ATOM 1493 CG PHE A 101 43.825 1.551 -23.774 1.00 30.86 C ATOM 1494 CD1 PHE A 101 42.930 0.752 -24.464 1.00 30.67 C ATOM 1495 CD2 PHE A 101 44.445 2.592 -24.446 1.00 31.41 C ATOM 1496 CE1 PHE A 101 42.659 0.985 -25.796 1.00 31.03 C ATOM 1497 CE2 PHE A 101 44.177 2.832 -25.780 1.00 31.76 C ATOM 1498 CZ PHE A 101 43.282 2.026 -26.455 1.00 31.57 C ATOM 0 H PHE A 101 44.947 3.508 -21.134 1.00 30.11 H new ATOM 0 HA PHE A 101 42.318 2.308 -21.749 1.00 29.74 H new ATOM 0 HB2 PHE A 101 45.181 1.415 -22.145 1.00 30.55 H new ATOM 0 HB3 PHE A 101 43.873 0.249 -22.097 1.00 30.55 H new ATOM 0 HD1 PHE A 101 42.438 -0.063 -23.954 1.00 30.67 H new ATOM 0 HD2 PHE A 101 45.146 3.223 -23.921 1.00 31.41 H new ATOM 0 HE1 PHE A 101 41.960 0.353 -26.323 1.00 31.03 H new ATOM 0 HE2 PHE A 101 44.666 3.647 -26.293 1.00 31.76 H new ATOM 0 HZ PHE A 101 43.069 2.210 -27.498 1.00 31.57 H new ATOM 1508 N LYS A 102 42.135 1.659 -19.345 1.00 28.42 N ATOM 1509 CA LYS A 102 41.982 1.113 -18.013 1.00 27.96 C ATOM 1510 C LYS A 102 40.628 0.434 -17.872 1.00 27.32 C ATOM 1511 O LYS A 102 39.587 1.084 -17.941 1.00 26.80 O ATOM 1512 CB LYS A 102 42.133 2.223 -16.967 1.00 27.61 C ATOM 1513 CG LYS A 102 42.960 1.821 -15.752 1.00 27.94 C ATOM 1514 CD LYS A 102 42.303 0.710 -14.948 1.00 27.68 C ATOM 1515 CE LYS A 102 41.018 1.179 -14.281 1.00 27.51 C ATOM 1516 NZ LYS A 102 40.335 0.069 -13.569 1.00 27.73 N ATOM 0 H LYS A 102 41.295 2.093 -19.727 1.00 28.42 H new ATOM 0 HA LYS A 102 42.761 0.369 -17.848 1.00 27.96 H new ATOM 0 HB2 LYS A 102 42.595 3.091 -17.437 1.00 27.61 H new ATOM 0 HB3 LYS A 102 41.142 2.531 -16.633 1.00 27.61 H new ATOM 0 HG2 LYS A 102 43.947 1.495 -16.079 1.00 27.94 H new ATOM 0 HG3 LYS A 102 43.108 2.691 -15.112 1.00 27.94 H new ATOM 0 HD2 LYS A 102 42.085 -0.133 -15.604 1.00 27.68 H new ATOM 0 HD3 LYS A 102 42.997 0.352 -14.188 1.00 27.68 H new ATOM 0 HE2 LYS A 102 41.244 1.979 -13.576 1.00 27.51 H new ATOM 0 HE3 LYS A 102 40.348 1.596 -15.033 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 39.335 0.314 -13.422 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 40.399 -0.799 -14.138 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 40.792 -0.086 -12.648 1.00 27.73 H new ATOM 1530 N ASP A 103 40.651 -0.877 -17.725 1.00 27.47 N ATOM 1531 CA ASP A 103 39.434 -1.649 -17.531 1.00 26.99 C ATOM 1532 C ASP A 103 39.327 -2.050 -16.067 1.00 26.66 C ATOM 1533 O ASP A 103 40.352 -2.167 -15.392 1.00 27.04 O ATOM 1534 CB ASP A 103 39.443 -2.891 -18.432 1.00 27.47 C ATOM 1535 CG ASP A 103 38.147 -3.675 -18.357 1.00 27.51 C ATOM 1536 OD1 ASP A 103 38.000 -4.504 -17.432 1.00 27.33 O ATOM 1537 OD2 ASP A 103 37.275 -3.474 -19.227 1.00 27.82 O ATOM 0 H ASP A 103 41.505 -1.435 -17.736 1.00 27.47 H new ATOM 0 HA ASP A 103 38.570 -1.042 -17.801 1.00 26.99 H new ATOM 0 HB2 ASP A 103 39.620 -2.586 -19.463 1.00 27.47 H new ATOM 0 HB3 ASP A 103 40.272 -3.538 -18.145 1.00 27.47 H new ATOM 1542 N PRO A 104 38.104 -2.110 -15.512 1.00 26.03 N ATOM 1543 CA PRO A 104 37.884 -2.516 -14.121 1.00 25.74 C ATOM 1544 C PRO A 104 38.615 -3.812 -13.758 1.00 26.01 C ATOM 1545 O PRO A 104 39.093 -3.970 -12.634 1.00 25.99 O ATOM 1546 CB PRO A 104 36.354 -2.714 -14.024 1.00 25.14 C ATOM 1547 CG PRO A 104 35.816 -2.490 -15.402 1.00 25.07 C ATOM 1548 CD PRO A 104 36.847 -1.695 -16.149 1.00 25.65 C ATOM 0 HA PRO A 104 38.271 -1.770 -13.427 1.00 25.74 H new ATOM 0 HB2 PRO A 104 36.113 -3.716 -13.670 1.00 25.14 H new ATOM 0 HB3 PRO A 104 35.915 -2.012 -13.316 1.00 25.14 H new ATOM 0 HG2 PRO A 104 35.625 -3.440 -15.901 1.00 25.07 H new ATOM 0 HG3 PRO A 104 34.868 -1.954 -15.364 1.00 25.07 H new ATOM 0 HD2 PRO A 104 36.839 -1.923 -17.215 1.00 25.65 H new ATOM 0 HD3 PRO A 104 36.679 -0.622 -16.051 1.00 25.65 H new ATOM 1556 N ARG A 105 38.668 -4.750 -14.694 1.00 26.35 N ATOM 1557 CA ARG A 105 39.356 -6.011 -14.469 1.00 26.73 C ATOM 1558 C ARG A 105 40.627 -6.089 -15.320 1.00 27.46 C ATOM 1559 O ARG A 105 40.546 -6.183 -16.543 1.00 27.80 O ATOM 1560 CB ARG A 105 38.433 -7.196 -14.784 1.00 26.76 C ATOM 1561 CG ARG A 105 37.543 -7.616 -13.618 1.00 26.26 C ATOM 1562 CD ARG A 105 36.642 -6.487 -13.145 1.00 25.68 C ATOM 1563 NE ARG A 105 36.062 -6.765 -11.834 1.00 25.63 N ATOM 1564 CZ ARG A 105 35.735 -5.826 -10.947 1.00 25.39 C ATOM 1565 NH1 ARG A 105 35.955 -4.548 -11.225 1.00 25.18 N ATOM 1566 NH2 ARG A 105 35.208 -6.172 -9.780 1.00 25.45 N ATOM 0 H ARG A 105 38.242 -4.660 -15.616 1.00 26.35 H new ATOM 0 HA ARG A 105 39.637 -6.062 -13.417 1.00 26.73 H new ATOM 0 HB2 ARG A 105 37.802 -6.936 -15.634 1.00 26.76 H new ATOM 0 HB3 ARG A 105 39.042 -8.047 -15.088 1.00 26.76 H new ATOM 0 HG2 ARG A 105 36.930 -8.465 -13.919 1.00 26.26 H new ATOM 0 HG3 ARG A 105 38.167 -7.951 -12.790 1.00 26.26 H new ATOM 0 HD2 ARG A 105 37.215 -5.561 -13.099 1.00 25.68 H new ATOM 0 HD3 ARG A 105 35.843 -6.332 -13.870 1.00 25.68 H new ATOM 0 HE ARG A 105 35.897 -7.739 -11.581 1.00 25.63 H new ATOM 0 HH11 ARG A 105 36.374 -4.285 -12.117 1.00 25.18 H new ATOM 0 HH12 ARG A 105 35.705 -3.828 -10.547 1.00 25.18 H new ATOM 0 HH21 ARG A 105 35.053 -7.156 -9.562 1.00 25.45 H new ATOM 0 HH22 ARG A 105 34.957 -5.454 -9.101 1.00 25.45 H new ATOM 1580 N PRO A 106 41.823 -6.065 -14.697 1.00 27.81 N ATOM 1581 CA PRO A 106 43.082 -6.091 -15.439 1.00 28.58 C ATOM 1582 C PRO A 106 43.463 -7.492 -15.913 1.00 29.15 C ATOM 1583 O PRO A 106 43.344 -8.466 -15.171 1.00 29.20 O ATOM 1584 CB PRO A 106 44.089 -5.573 -14.412 1.00 28.76 C ATOM 1585 CG PRO A 106 43.555 -6.042 -13.102 1.00 28.29 C ATOM 1586 CD PRO A 106 42.053 -6.043 -13.230 1.00 27.58 C ATOM 0 HA PRO A 106 43.033 -5.501 -16.354 1.00 28.58 H new ATOM 0 HB2 PRO A 106 45.087 -5.969 -14.599 1.00 28.76 H new ATOM 0 HB3 PRO A 106 44.166 -4.486 -14.444 1.00 28.76 H new ATOM 0 HG2 PRO A 106 43.925 -7.040 -12.867 1.00 28.29 H new ATOM 0 HG3 PRO A 106 43.875 -5.384 -12.294 1.00 28.29 H new ATOM 0 HD2 PRO A 106 41.610 -6.912 -12.743 1.00 27.58 H new ATOM 0 HD3 PRO A 106 41.612 -5.159 -12.769 1.00 27.58 H new ATOM 1594 N GLY A 107 43.844 -7.592 -17.180 1.00 29.63 N ATOM 1595 CA GLY A 107 44.296 -8.851 -17.736 1.00 30.26 C ATOM 1596 C GLY A 107 43.165 -9.733 -18.245 1.00 30.07 C ATOM 1597 O GLY A 107 43.353 -10.446 -19.229 1.00 30.61 O ATOM 0 H GLY A 107 43.847 -6.813 -17.839 1.00 29.63 H new ATOM 0 HA2 GLY A 107 44.986 -8.650 -18.556 1.00 30.26 H new ATOM 0 HA3 GLY A 107 44.855 -9.395 -16.975 1.00 30.26 H new ATOM 1601 N PHE A 108 41.987 -9.653 -17.590 1.00 29.36 N ATOM 1602 CA PHE A 108 40.782 -10.458 -17.947 1.00 29.20 C ATOM 1603 C PHE A 108 41.117 -11.917 -18.295 1.00 29.85 C ATOM 1604 O PHE A 108 40.352 -12.585 -18.994 1.00 30.10 O ATOM 1605 CB PHE A 108 39.974 -9.791 -19.090 1.00 29.02 C ATOM 1606 CG PHE A 108 40.757 -9.497 -20.349 1.00 28.90 C ATOM 1607 CD1 PHE A 108 41.333 -8.247 -20.547 1.00 29.07 C ATOM 1608 CD2 PHE A 108 40.925 -10.468 -21.331 1.00 28.70 C ATOM 1609 CE1 PHE A 108 42.056 -7.975 -21.692 1.00 29.04 C ATOM 1610 CE2 PHE A 108 41.647 -10.197 -22.476 1.00 28.68 C ATOM 1611 CZ PHE A 108 42.187 -8.960 -22.676 1.00 28.85 C ATOM 0 H PHE A 108 41.837 -9.030 -16.797 1.00 29.36 H new ATOM 0 HA PHE A 108 40.159 -10.483 -17.053 1.00 29.20 H new ATOM 0 HB2 PHE A 108 39.136 -10.439 -19.346 1.00 29.02 H new ATOM 0 HB3 PHE A 108 39.553 -8.857 -18.718 1.00 29.02 H new ATOM 0 HD1 PHE A 108 41.214 -7.480 -19.796 1.00 29.07 H new ATOM 0 HD2 PHE A 108 40.485 -11.445 -21.196 1.00 28.70 H new ATOM 0 HE1 PHE A 108 42.517 -7.008 -21.827 1.00 29.04 H new ATOM 0 HE2 PHE A 108 41.785 -10.969 -23.218 1.00 28.68 H new ATOM 0 HZ PHE A 108 42.715 -8.742 -23.593 1.00 28.85 H new ATOM 1621 N GLU A 109 42.185 -12.430 -17.674 1.00 30.16 N ATOM 1622 CA GLU A 109 42.659 -13.807 -17.882 1.00 30.84 C ATOM 1623 C GLU A 109 42.987 -14.065 -19.356 1.00 31.39 C ATOM 1624 O GLU A 109 44.164 -13.903 -19.734 1.00 31.70 O ATOM 1625 CB GLU A 109 41.625 -14.830 -17.360 1.00 30.99 C ATOM 1626 CG GLU A 109 41.914 -16.298 -17.707 1.00 31.54 C ATOM 1627 CD GLU A 109 40.755 -17.207 -17.358 1.00 31.75 C ATOM 1628 OE1 GLU A 109 39.785 -17.256 -18.139 1.00 32.01 O ATOM 1629 OE2 GLU A 109 40.814 -17.885 -16.306 1.00 31.74 O ATOM 1630 OXT GLU A 109 42.079 -14.450 -20.127 1.00 31.58 O ATOM 0 H GLU A 109 42.749 -11.901 -17.009 1.00 30.16 H new ATOM 0 HA GLU A 109 43.579 -13.932 -17.310 1.00 30.84 H new ATOM 0 HB2 GLU A 109 41.563 -14.737 -16.276 1.00 30.99 H new ATOM 0 HB3 GLU A 109 40.646 -14.566 -17.759 1.00 30.99 H new ATOM 0 HG2 GLU A 109 42.131 -16.382 -18.772 1.00 31.54 H new ATOM 0 HG3 GLU A 109 42.805 -16.627 -17.173 1.00 31.54 H new TER 1637 GLU A 109