USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=28 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 96 THR OG1 : rot 180:sc= 0.974 USER MOD Set 1.2: A 98 THR OG1 : rot -87:sc= 1.19 USER MOD Set 2.1: A 81 MET CE :methyl -110:sc= -1.89 (180deg=-9.51!) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 52 THR OG1 : rot -74:sc= 0.519 USER MOD Set 3.2: A 54 THR OG1 : rot 167:sc= -0.685 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.0671 USER MOD Single : A 3 HIS : no HE2:sc= 1.02 K(o=1,f=-5.5!) USER MOD Single : A 4 MET CE :methyl -161:sc= -0.0935 (180deg=-0.548) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.48! C(o=-2.5!,f=-8.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 79:sc= 0.829 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0909 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 -174:sc= -1.99! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.461 K(o=-0.46,f=-4.3!) USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 40 ASN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 90:sc= 0.65 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 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.71) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= 1.12 (180deg=-0.317) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0783 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 1.06 K(o=1.1,f=-4.8!) USER MOD Single : A 95 ASN : amide:sc= -3.08! C(o=-3.1!,f=-2.1!) USER MOD Single : A 99 THR OG1 : rot 48:sc= 0.0649 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.281 7.730 1.239 1.00 4.75 N ATOM 2 CA GLY A 1 -41.999 7.136 1.685 1.00 3.82 C ATOM 3 C GLY A 1 -41.287 6.419 0.561 1.00 2.64 C ATOM 4 O GLY A 1 -41.703 5.338 0.141 1.00 2.97 O ATOM 0 H1 GLY A 1 -43.737 8.212 2.040 1.00 4.75 H new ATOM 0 H2 GLY A 1 -43.100 8.416 0.479 1.00 4.75 H new ATOM 0 H3 GLY A 1 -43.907 6.979 0.885 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -41.354 7.920 2.081 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -42.187 6.437 2.500 1.00 3.82 H new ATOM 10 N SER A 2 -40.236 7.036 0.045 1.00 1.83 N ATOM 11 CA SER A 2 -39.467 6.448 -1.037 1.00 1.07 C ATOM 12 C SER A 2 -38.076 6.050 -0.555 1.00 0.80 C ATOM 13 O SER A 2 -37.379 6.844 0.076 1.00 0.96 O ATOM 14 CB SER A 2 -39.358 7.434 -2.201 1.00 1.95 C ATOM 15 OG SER A 2 -38.873 8.691 -1.754 1.00 2.45 O ATOM 0 H SER A 2 -39.897 7.945 0.359 1.00 1.83 H new ATOM 0 HA SER A 2 -39.983 5.551 -1.379 1.00 1.07 H new ATOM 0 HB2 SER A 2 -38.690 7.032 -2.963 1.00 1.95 H new ATOM 0 HB3 SER A 2 -40.335 7.561 -2.668 1.00 1.95 H new ATOM 0 HG SER A 2 -38.224 8.553 -1.033 1.00 2.45 H new ATOM 21 N HIS A 3 -37.697 4.808 -0.808 1.00 0.62 N ATOM 22 CA HIS A 3 -36.373 4.327 -0.437 1.00 0.44 C ATOM 23 C HIS A 3 -35.408 4.587 -1.598 1.00 0.40 C ATOM 24 O HIS A 3 -35.788 4.432 -2.754 1.00 0.53 O ATOM 25 CB HIS A 3 -36.406 2.826 -0.124 1.00 0.55 C ATOM 26 CG HIS A 3 -37.211 2.444 1.089 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.351 1.140 1.511 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.911 3.198 1.976 1.00 1.91 C ATOM 29 CE1 HIS A 3 -38.098 1.107 2.598 1.00 2.22 C ATOM 30 NE2 HIS A 3 -38.451 2.339 2.900 1.00 2.50 N ATOM 0 H HIS A 3 -38.286 4.114 -1.268 1.00 0.62 H new ATOM 0 HA HIS A 3 -36.041 4.856 0.456 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -36.809 2.299 -0.989 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.383 2.477 0.014 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -36.941 0.326 1.054 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -38.022 4.272 1.957 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -38.374 0.219 3.148 1.00 2.22 H new ATOM 39 N MET A 4 -34.178 4.992 -1.307 1.00 0.38 N ATOM 40 CA MET A 4 -33.210 5.264 -2.364 1.00 0.41 C ATOM 41 C MET A 4 -32.273 4.075 -2.509 1.00 0.37 C ATOM 42 O MET A 4 -31.822 3.510 -1.507 1.00 0.43 O ATOM 43 CB MET A 4 -32.403 6.536 -2.062 1.00 0.54 C ATOM 44 CG MET A 4 -33.259 7.727 -1.651 1.00 1.29 C ATOM 45 SD MET A 4 -34.392 8.265 -2.949 1.00 1.92 S ATOM 46 CE MET A 4 -33.227 8.812 -4.198 1.00 2.06 C ATOM 0 H MET A 4 -33.829 5.138 -0.360 1.00 0.38 H new ATOM 0 HA MET A 4 -33.750 5.423 -3.297 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.690 6.322 -1.266 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.823 6.805 -2.945 1.00 0.54 H new ATOM 0 HG2 MET A 4 -33.832 7.465 -0.762 1.00 1.29 H new ATOM 0 HG3 MET A 4 -32.608 8.558 -1.378 1.00 1.29 H new ATOM 0 HE1 MET A 4 -33.733 9.470 -4.904 1.00 2.06 H new ATOM 0 HE2 MET A 4 -32.409 9.352 -3.721 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.830 7.947 -4.729 1.00 2.06 H new ATOM 56 N GLN A 5 -32.009 3.670 -3.743 1.00 0.34 N ATOM 57 CA GLN A 5 -31.148 2.527 -3.981 1.00 0.33 C ATOM 58 C GLN A 5 -29.698 2.966 -4.136 1.00 0.29 C ATOM 59 O GLN A 5 -29.370 3.755 -5.020 1.00 0.49 O ATOM 60 CB GLN A 5 -31.589 1.757 -5.230 1.00 0.44 C ATOM 61 CG GLN A 5 -30.775 0.495 -5.469 1.00 0.53 C ATOM 62 CD GLN A 5 -31.082 -0.167 -6.793 1.00 1.07 C ATOM 63 OE1 GLN A 5 -31.981 -1.001 -6.892 1.00 1.90 O ATOM 64 NE2 GLN A 5 -30.324 0.182 -7.821 1.00 1.53 N ATOM 0 H GLN A 5 -32.376 4.113 -4.586 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.229 1.868 -3.116 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.642 1.491 -5.133 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.504 2.408 -6.100 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.714 0.741 -5.430 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.968 -0.213 -4.663 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -29.588 0.878 -7.699 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -30.476 -0.245 -8.735 1.00 1.53 H new ATOM 73 N TYR A 6 -28.838 2.461 -3.265 1.00 0.20 N ATOM 74 CA TYR A 6 -27.412 2.745 -3.348 1.00 0.21 C ATOM 75 C TYR A 6 -26.667 1.440 -3.593 1.00 0.23 C ATOM 76 O TYR A 6 -27.049 0.395 -3.060 1.00 0.30 O ATOM 77 CB TYR A 6 -26.891 3.398 -2.045 1.00 0.28 C ATOM 78 CG TYR A 6 -27.373 4.809 -1.816 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.684 5.898 -2.339 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.512 5.052 -1.062 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.118 7.189 -2.110 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.954 6.338 -0.833 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.254 7.403 -1.356 1.00 0.43 C ATOM 84 OH TYR A 6 -28.691 8.688 -1.130 1.00 0.53 O ATOM 0 H TYR A 6 -29.102 1.851 -2.491 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.242 3.444 -4.167 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.194 2.782 -1.198 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -25.801 3.399 -2.064 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.797 5.732 -2.933 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.062 4.220 -0.647 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.572 8.026 -2.519 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.845 6.509 -0.247 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.504 8.666 -0.583 1.00 0.53 H new ATOM 94 N LYS A 7 -25.628 1.486 -4.409 1.00 0.26 N ATOM 95 CA LYS A 7 -24.852 0.293 -4.696 1.00 0.30 C ATOM 96 C LYS A 7 -23.457 0.415 -4.115 1.00 0.23 C ATOM 97 O LYS A 7 -22.914 1.510 -4.007 1.00 0.31 O ATOM 98 CB LYS A 7 -24.781 0.032 -6.206 1.00 0.50 C ATOM 99 CG LYS A 7 -24.466 1.268 -7.028 1.00 0.98 C ATOM 100 CD LYS A 7 -24.360 0.946 -8.510 1.00 1.30 C ATOM 101 CE LYS A 7 -23.270 -0.081 -8.783 1.00 1.94 C ATOM 102 NZ LYS A 7 -23.146 -0.396 -10.229 1.00 2.57 N ATOM 0 H LYS A 7 -25.304 2.330 -4.881 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.352 -0.555 -4.229 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.020 -0.725 -6.399 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.733 -0.381 -6.539 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.244 2.016 -6.873 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.529 1.706 -6.683 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -25.316 0.567 -8.870 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -24.149 1.859 -9.067 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -22.317 0.296 -8.412 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -23.488 -0.995 -8.231 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -22.392 -1.099 -10.368 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -24.047 -0.780 -10.579 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -22.912 0.471 -10.754 1.00 2.57 H new ATOM 116 N LEU A 8 -22.898 -0.707 -3.709 1.00 0.22 N ATOM 117 CA LEU A 8 -21.559 -0.725 -3.127 1.00 0.20 C ATOM 118 C LEU A 8 -20.709 -1.777 -3.810 1.00 0.17 C ATOM 119 O LEU A 8 -21.208 -2.836 -4.195 1.00 0.25 O ATOM 120 CB LEU A 8 -21.631 -1.019 -1.619 1.00 0.28 C ATOM 121 CG LEU A 8 -20.292 -1.027 -0.874 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.826 0.374 -0.516 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.408 -1.875 0.367 1.00 0.33 C ATOM 0 H LEU A 8 -23.345 -1.622 -3.769 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.107 0.256 -3.274 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.279 -0.276 -1.154 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.108 -1.989 -1.480 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.542 -1.452 -1.541 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.873 0.317 0.011 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.703 0.960 -1.427 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.567 0.851 0.125 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.455 -1.879 0.895 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.181 -1.465 1.017 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.672 -2.895 0.087 1.00 0.33 H new ATOM 135 N ILE A 9 -19.432 -1.466 -3.988 1.00 0.15 N ATOM 136 CA ILE A 9 -18.498 -2.393 -4.592 1.00 0.14 C ATOM 137 C ILE A 9 -17.322 -2.576 -3.657 1.00 0.13 C ATOM 138 O ILE A 9 -16.727 -1.595 -3.202 1.00 0.17 O ATOM 139 CB ILE A 9 -17.996 -1.911 -5.978 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.175 -1.733 -6.955 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.995 -2.912 -6.546 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.766 -1.129 -8.285 1.00 0.62 C ATOM 0 H ILE A 9 -19.022 -0.572 -3.719 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.017 -3.338 -4.753 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.506 -0.946 -5.850 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.641 -2.702 -7.132 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.929 -1.097 -6.491 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.647 -2.566 -7.519 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.146 -3.002 -5.868 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.475 -3.884 -6.657 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.643 -1.031 -8.925 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.327 -0.145 -8.118 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.034 -1.776 -8.769 1.00 0.62 H new ATOM 154 N LEU A 10 -17.050 -3.815 -3.291 1.00 0.12 N ATOM 155 CA LEU A 10 -15.939 -4.091 -2.399 1.00 0.13 C ATOM 156 C LEU A 10 -14.717 -4.431 -3.218 1.00 0.15 C ATOM 157 O LEU A 10 -14.574 -5.566 -3.655 1.00 0.25 O ATOM 158 CB LEU A 10 -16.217 -5.251 -1.420 1.00 0.14 C ATOM 159 CG LEU A 10 -17.443 -5.139 -0.495 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.654 -3.726 -0.011 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.698 -5.672 -1.168 1.00 0.19 C ATOM 0 H LEU A 10 -17.575 -4.636 -3.592 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.783 -3.192 -1.802 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.323 -6.164 -2.006 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.335 -5.376 -0.792 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.239 -5.759 0.378 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.529 -3.691 0.638 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.776 -3.397 0.545 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.810 -3.068 -0.866 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.544 -5.578 -0.487 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.896 -5.100 -2.074 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.555 -6.721 -1.426 1.00 0.19 H new ATOM 173 N ASN A 11 -13.893 -3.433 -3.511 1.00 0.15 N ATOM 174 CA ASN A 11 -12.668 -3.673 -4.265 1.00 0.18 C ATOM 175 C ASN A 11 -11.563 -4.016 -3.287 1.00 0.20 C ATOM 176 O ASN A 11 -10.861 -3.140 -2.773 1.00 0.24 O ATOM 177 CB ASN A 11 -12.228 -2.445 -5.095 1.00 0.24 C ATOM 178 CG ASN A 11 -13.328 -1.782 -5.899 1.00 1.01 C ATOM 179 OD1 ASN A 11 -14.485 -1.756 -5.502 1.00 1.96 O ATOM 180 ND2 ASN A 11 -12.960 -1.236 -7.050 1.00 1.33 N ATOM 0 H ASN A 11 -14.047 -2.461 -3.242 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.862 -4.489 -4.962 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -11.797 -1.706 -4.420 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.436 -2.753 -5.778 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -13.652 -0.773 -7.639 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -11.985 -1.279 -7.346 1.00 1.33 H new ATOM 187 N GLY A 12 -11.484 -5.290 -2.967 1.00 0.21 N ATOM 188 CA GLY A 12 -10.457 -5.779 -2.092 1.00 0.26 C ATOM 189 C GLY A 12 -10.166 -7.226 -2.386 1.00 0.39 C ATOM 190 O GLY A 12 -11.090 -8.008 -2.602 1.00 0.91 O ATOM 0 H GLY A 12 -12.127 -6.005 -3.306 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.551 -5.186 -2.217 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.771 -5.668 -1.054 1.00 0.26 H new ATOM 194 N LYS A 13 -8.895 -7.585 -2.443 1.00 0.44 N ATOM 195 CA LYS A 13 -8.509 -8.970 -2.713 1.00 0.56 C ATOM 196 C LYS A 13 -9.106 -9.934 -1.677 1.00 0.66 C ATOM 197 O LYS A 13 -9.216 -11.135 -1.934 1.00 0.89 O ATOM 198 CB LYS A 13 -6.987 -9.103 -2.726 1.00 0.76 C ATOM 199 CG LYS A 13 -6.312 -8.211 -3.758 1.00 1.17 C ATOM 200 CD LYS A 13 -4.816 -8.470 -3.837 1.00 1.63 C ATOM 201 CE LYS A 13 -4.137 -8.218 -2.502 1.00 2.41 C ATOM 202 NZ LYS A 13 -2.697 -8.581 -2.543 1.00 3.26 N ATOM 0 H LYS A 13 -8.113 -6.945 -2.308 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.905 -9.237 -3.693 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.600 -8.859 -1.737 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.722 -10.141 -2.925 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.762 -8.382 -4.736 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.487 -7.165 -3.504 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.640 -9.500 -4.148 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.374 -7.827 -4.598 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -4.240 -7.167 -2.234 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.636 -8.796 -1.724 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -2.266 -8.396 -1.615 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -2.600 -9.590 -2.775 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -2.216 -8.011 -3.268 1.00 3.26 H new ATOM 216 N THR A 14 -9.496 -9.394 -0.524 1.00 0.76 N ATOM 217 CA THR A 14 -10.075 -10.190 0.545 1.00 1.06 C ATOM 218 C THR A 14 -11.546 -10.511 0.250 1.00 0.93 C ATOM 219 O THR A 14 -12.037 -11.584 0.602 1.00 1.20 O ATOM 220 CB THR A 14 -9.973 -9.432 1.885 1.00 1.44 C ATOM 221 OG1 THR A 14 -8.706 -8.754 1.967 1.00 1.93 O ATOM 222 CG2 THR A 14 -10.121 -10.385 3.068 1.00 1.86 C ATOM 0 H THR A 14 -9.419 -8.400 -0.310 1.00 0.76 H new ATOM 0 HA THR A 14 -9.518 -11.125 0.612 1.00 1.06 H new ATOM 0 HB THR A 14 -10.783 -8.704 1.926 1.00 1.44 H new ATOM 0 HG1 THR A 14 -8.744 -7.926 1.444 1.00 1.93 H new ATOM 0 HG21 THR A 14 -10.045 -9.824 3.999 1.00 1.86 H new ATOM 0 HG22 THR A 14 -11.092 -10.877 3.019 1.00 1.86 H new ATOM 0 HG23 THR A 14 -9.332 -11.136 3.031 1.00 1.86 H new ATOM 230 N LEU A 15 -12.223 -9.606 -0.461 1.00 0.64 N ATOM 231 CA LEU A 15 -13.633 -9.772 -0.772 1.00 0.66 C ATOM 232 C LEU A 15 -14.015 -8.898 -1.957 1.00 0.49 C ATOM 233 O LEU A 15 -14.191 -7.692 -1.806 1.00 0.55 O ATOM 234 CB LEU A 15 -14.494 -9.382 0.438 1.00 0.92 C ATOM 235 CG LEU A 15 -15.627 -10.343 0.793 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.384 -10.777 -0.445 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.081 -11.543 1.543 1.00 1.35 C ATOM 0 H LEU A 15 -11.810 -8.750 -0.831 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.809 -10.819 -1.020 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.842 -9.284 1.306 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -14.924 -8.398 0.250 1.00 0.92 H new ATOM 0 HG LEU A 15 -16.330 -9.819 1.441 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.184 -11.460 -0.161 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.811 -9.902 -0.936 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.702 -11.281 -1.130 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -15.898 -12.220 1.790 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -14.355 -12.063 0.918 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.596 -11.209 2.460 1.00 1.35 H new ATOM 249 N LYS A 16 -14.078 -9.490 -3.142 1.00 0.42 N ATOM 250 CA LYS A 16 -14.521 -8.764 -4.321 1.00 0.37 C ATOM 251 C LYS A 16 -15.952 -9.147 -4.658 1.00 0.43 C ATOM 252 O LYS A 16 -16.262 -10.319 -4.881 1.00 0.58 O ATOM 253 CB LYS A 16 -13.599 -9.005 -5.524 1.00 0.45 C ATOM 254 CG LYS A 16 -12.339 -8.143 -5.510 1.00 0.43 C ATOM 255 CD LYS A 16 -12.661 -6.678 -5.442 1.00 1.03 C ATOM 256 CE LYS A 16 -13.644 -6.251 -6.522 1.00 1.81 C ATOM 257 NZ LYS A 16 -13.070 -6.390 -7.885 1.00 2.49 N ATOM 0 H LYS A 16 -13.829 -10.465 -3.311 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.478 -7.699 -4.093 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.310 -10.056 -5.545 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -14.154 -8.808 -6.442 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.721 -8.418 -4.656 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.752 -8.344 -6.406 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -13.078 -6.445 -4.462 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.742 -6.101 -5.542 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -14.549 -6.854 -6.447 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -13.937 -5.214 -6.356 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -13.773 -6.088 -8.590 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -12.221 -5.795 -7.966 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -12.814 -7.384 -8.054 1.00 2.49 H new ATOM 271 N GLY A 17 -16.819 -8.151 -4.653 1.00 0.33 N ATOM 272 CA GLY A 17 -18.220 -8.367 -4.912 1.00 0.39 C ATOM 273 C GLY A 17 -18.995 -7.077 -4.818 1.00 0.26 C ATOM 274 O GLY A 17 -18.446 -6.051 -4.402 1.00 0.23 O ATOM 0 H GLY A 17 -16.569 -7.179 -4.470 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.347 -8.800 -5.904 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.618 -9.087 -4.197 1.00 0.39 H new ATOM 278 N GLU A 18 -20.261 -7.116 -5.199 1.00 0.28 N ATOM 279 CA GLU A 18 -21.103 -5.934 -5.146 1.00 0.23 C ATOM 280 C GLU A 18 -22.430 -6.263 -4.477 1.00 0.29 C ATOM 281 O GLU A 18 -22.815 -7.430 -4.387 1.00 0.49 O ATOM 282 CB GLU A 18 -21.360 -5.366 -6.551 1.00 0.46 C ATOM 283 CG GLU A 18 -20.103 -5.142 -7.383 1.00 0.70 C ATOM 284 CD GLU A 18 -19.655 -6.381 -8.147 1.00 1.17 C ATOM 285 OE1 GLU A 18 -20.454 -6.920 -8.947 1.00 1.69 O ATOM 286 OE2 GLU A 18 -18.501 -6.815 -7.954 1.00 1.69 O ATOM 0 H GLU A 18 -20.727 -7.953 -5.548 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.578 -5.179 -4.562 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.020 -6.047 -7.089 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -21.890 -4.418 -6.454 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.284 -4.333 -8.091 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.295 -4.817 -6.727 1.00 0.70 H new ATOM 293 N THR A 19 -23.126 -5.233 -4.018 1.00 0.22 N ATOM 294 CA THR A 19 -24.405 -5.411 -3.349 1.00 0.32 C ATOM 295 C THR A 19 -25.205 -4.103 -3.371 1.00 0.29 C ATOM 296 O THR A 19 -24.704 -3.066 -3.818 1.00 0.31 O ATOM 297 CB THR A 19 -24.206 -5.890 -1.889 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.463 -6.268 -1.310 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.564 -4.792 -1.039 1.00 0.45 C ATOM 0 H THR A 19 -22.824 -4.262 -4.098 1.00 0.22 H new ATOM 0 HA THR A 19 -24.964 -6.177 -3.887 1.00 0.32 H new ATOM 0 HB THR A 19 -23.543 -6.755 -1.908 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.321 -6.570 -0.389 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.434 -5.151 -0.018 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.592 -4.529 -1.457 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.207 -3.912 -1.035 1.00 0.45 H new ATOM 307 N THR A 20 -26.445 -4.164 -2.904 1.00 0.27 N ATOM 308 CA THR A 20 -27.328 -3.007 -2.868 1.00 0.24 C ATOM 309 C THR A 20 -28.019 -2.915 -1.508 1.00 0.25 C ATOM 310 O THR A 20 -28.010 -3.881 -0.742 1.00 0.31 O ATOM 311 CB THR A 20 -28.397 -3.091 -3.984 1.00 0.30 C ATOM 312 OG1 THR A 20 -29.001 -4.392 -3.982 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.791 -2.817 -5.361 1.00 0.32 C ATOM 0 H THR A 20 -26.867 -5.018 -2.539 1.00 0.27 H new ATOM 0 HA THR A 20 -26.722 -2.116 -3.031 1.00 0.24 H new ATOM 0 HB THR A 20 -29.150 -2.329 -3.783 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.678 -4.439 -4.689 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.569 -2.884 -6.121 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.356 -1.818 -5.375 1.00 0.32 H new ATOM 0 HG23 THR A 20 -27.015 -3.554 -5.570 1.00 0.32 H new ATOM 321 N THR A 21 -28.557 -1.744 -1.183 1.00 0.23 N ATOM 322 CA THR A 21 -29.273 -1.559 0.075 1.00 0.26 C ATOM 323 C THR A 21 -30.269 -0.409 -0.051 1.00 0.25 C ATOM 324 O THR A 21 -30.115 0.463 -0.912 1.00 0.26 O ATOM 325 CB THR A 21 -28.316 -1.278 1.267 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.003 -1.513 2.503 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.807 0.174 1.253 1.00 0.28 C ATOM 0 H THR A 21 -28.511 -0.911 -1.771 1.00 0.23 H new ATOM 0 HA THR A 21 -29.798 -2.492 0.280 1.00 0.26 H new ATOM 0 HB THR A 21 -27.461 -1.948 1.171 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.397 -1.337 3.253 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.141 0.334 2.101 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.266 0.361 0.326 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.654 0.857 1.323 1.00 0.28 H new ATOM 335 N GLU A 22 -31.295 -0.425 0.790 1.00 0.31 N ATOM 336 CA GLU A 22 -32.298 0.632 0.803 1.00 0.36 C ATOM 337 C GLU A 22 -31.963 1.652 1.889 1.00 0.36 C ATOM 338 O GLU A 22 -31.918 1.313 3.072 1.00 0.58 O ATOM 339 CB GLU A 22 -33.692 0.052 1.087 1.00 0.51 C ATOM 340 CG GLU A 22 -34.142 -1.059 0.139 1.00 1.16 C ATOM 341 CD GLU A 22 -35.375 -1.771 0.655 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.250 -2.937 1.083 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.472 -1.171 0.626 1.00 2.24 O ATOM 0 H GLU A 22 -31.455 -1.163 1.476 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.298 1.112 -0.176 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -33.706 -0.335 2.106 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.420 0.862 1.043 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -34.351 -0.636 -0.844 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.333 -1.778 0.012 1.00 1.16 H new ATOM 350 N ALA A 23 -31.732 2.894 1.493 1.00 0.26 N ATOM 351 CA ALA A 23 -31.437 3.953 2.453 1.00 0.28 C ATOM 352 C ALA A 23 -32.213 5.209 2.068 1.00 0.31 C ATOM 353 O ALA A 23 -32.589 5.368 0.914 1.00 0.38 O ATOM 354 CB ALA A 23 -29.937 4.241 2.501 1.00 0.32 C ATOM 0 H ALA A 23 -31.742 3.195 0.519 1.00 0.26 H new ATOM 0 HA ALA A 23 -31.744 3.629 3.448 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -29.742 5.034 3.223 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.403 3.339 2.799 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.595 4.556 1.515 1.00 0.32 H new ATOM 360 N VAL A 24 -32.515 6.067 3.036 1.00 0.35 N ATOM 361 CA VAL A 24 -33.247 7.297 2.753 1.00 0.45 C ATOM 362 C VAL A 24 -32.337 8.524 2.868 1.00 0.49 C ATOM 363 O VAL A 24 -32.798 9.665 2.798 1.00 0.74 O ATOM 364 CB VAL A 24 -34.475 7.458 3.680 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.555 6.449 3.315 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.080 7.298 5.138 1.00 1.09 C ATOM 0 H VAL A 24 -32.267 5.936 4.017 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.604 7.224 1.726 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.872 8.463 3.541 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.411 6.577 3.977 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.868 6.608 2.283 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.160 5.439 3.423 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.961 7.416 5.769 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.653 6.307 5.293 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.342 8.056 5.400 1.00 1.09 H new ATOM 376 N ASP A 25 -31.043 8.275 3.020 1.00 0.39 N ATOM 377 CA ASP A 25 -30.059 9.339 3.156 1.00 0.45 C ATOM 378 C ASP A 25 -28.691 8.814 2.750 1.00 0.39 C ATOM 379 O ASP A 25 -28.445 7.608 2.809 1.00 0.35 O ATOM 380 CB ASP A 25 -30.021 9.846 4.598 1.00 0.54 C ATOM 381 CG ASP A 25 -29.022 10.960 4.824 1.00 1.25 C ATOM 382 OD1 ASP A 25 -29.374 12.141 4.623 1.00 1.51 O ATOM 383 OD2 ASP A 25 -27.882 10.654 5.228 1.00 2.13 O ATOM 0 H ASP A 25 -30.648 7.335 3.052 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.336 10.169 2.506 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -31.014 10.198 4.876 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.781 9.014 5.260 1.00 0.54 H new ATOM 388 N ALA A 26 -27.795 9.717 2.399 1.00 0.44 N ATOM 389 CA ALA A 26 -26.464 9.341 1.937 1.00 0.46 C ATOM 390 C ALA A 26 -25.585 8.871 3.094 1.00 0.38 C ATOM 391 O ALA A 26 -25.048 7.764 3.068 1.00 0.37 O ATOM 392 CB ALA A 26 -25.808 10.511 1.216 1.00 0.59 C ATOM 0 H ALA A 26 -27.962 10.723 2.424 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.572 8.509 1.241 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.815 10.218 0.876 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.416 10.797 0.358 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.723 11.357 1.898 1.00 0.59 H new ATOM 398 N ALA A 27 -25.531 9.666 4.157 1.00 0.39 N ATOM 399 CA ALA A 27 -24.695 9.344 5.308 1.00 0.38 C ATOM 400 C ALA A 27 -25.217 8.093 5.997 1.00 0.31 C ATOM 401 O ALA A 27 -24.458 7.333 6.602 1.00 0.32 O ATOM 402 CB ALA A 27 -24.641 10.512 6.286 1.00 0.48 C ATOM 0 H ALA A 27 -26.055 10.537 4.246 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.681 9.155 4.956 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.011 10.247 7.135 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.225 11.387 5.786 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -25.647 10.739 6.637 1.00 0.48 H new ATOM 408 N THR A 28 -26.514 7.863 5.847 1.00 0.31 N ATOM 409 CA THR A 28 -27.157 6.692 6.425 1.00 0.30 C ATOM 410 C THR A 28 -26.758 5.427 5.666 1.00 0.24 C ATOM 411 O THR A 28 -26.649 4.350 6.254 1.00 0.28 O ATOM 412 CB THR A 28 -28.696 6.831 6.437 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.052 8.110 6.976 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.336 5.733 7.287 1.00 0.45 C ATOM 0 H THR A 28 -27.144 8.475 5.328 1.00 0.31 H new ATOM 0 HA THR A 28 -26.816 6.614 7.457 1.00 0.30 H new ATOM 0 HB THR A 28 -29.060 6.737 5.414 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.026 8.165 7.073 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.419 5.852 7.280 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.076 4.757 6.877 1.00 0.45 H new ATOM 0 HG23 THR A 28 -28.970 5.806 8.311 1.00 0.45 H new ATOM 422 N ALA A 29 -26.447 5.577 4.381 1.00 0.21 N ATOM 423 CA ALA A 29 -26.047 4.444 3.563 1.00 0.22 C ATOM 424 C ALA A 29 -24.639 4.026 3.941 1.00 0.21 C ATOM 425 O ALA A 29 -24.321 2.835 3.990 1.00 0.25 O ATOM 426 CB ALA A 29 -26.123 4.790 2.084 1.00 0.28 C ATOM 0 H ALA A 29 -26.465 6.470 3.889 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.731 3.615 3.745 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.819 3.927 1.492 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.146 5.064 1.827 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.458 5.628 1.872 1.00 0.28 H new ATOM 432 N GLU A 30 -23.816 5.025 4.238 1.00 0.19 N ATOM 433 CA GLU A 30 -22.451 4.804 4.681 1.00 0.20 C ATOM 434 C GLU A 30 -22.457 3.968 5.960 1.00 0.20 C ATOM 435 O GLU A 30 -21.931 2.861 5.987 1.00 0.23 O ATOM 436 CB GLU A 30 -21.769 6.149 4.957 1.00 0.24 C ATOM 437 CG GLU A 30 -20.252 6.065 4.991 1.00 0.35 C ATOM 438 CD GLU A 30 -19.631 7.144 5.851 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.904 8.335 5.601 1.00 1.14 O ATOM 440 OE2 GLU A 30 -18.843 6.814 6.764 1.00 1.29 O ATOM 0 H GLU A 30 -24.079 6.009 4.178 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.904 4.275 3.901 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.068 6.863 4.190 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.125 6.539 5.911 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.954 5.087 5.369 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.864 6.146 3.976 1.00 0.35 H new ATOM 447 N LYS A 31 -23.118 4.494 6.992 1.00 0.20 N ATOM 448 CA LYS A 31 -23.205 3.842 8.304 1.00 0.24 C ATOM 449 C LYS A 31 -23.615 2.366 8.201 1.00 0.22 C ATOM 450 O LYS A 31 -23.041 1.512 8.878 1.00 0.26 O ATOM 451 CB LYS A 31 -24.200 4.586 9.211 1.00 0.29 C ATOM 452 CG LYS A 31 -23.873 6.060 9.455 1.00 0.39 C ATOM 453 CD LYS A 31 -22.645 6.254 10.333 1.00 1.10 C ATOM 454 CE LYS A 31 -21.349 6.054 9.567 1.00 1.86 C ATOM 455 NZ LYS A 31 -20.163 6.305 10.423 1.00 2.42 N ATOM 0 H LYS A 31 -23.610 5.386 6.944 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.206 3.881 8.738 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.194 4.518 8.768 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.244 4.075 10.173 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.711 6.555 8.497 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.729 6.545 9.924 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -22.661 7.257 10.759 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -22.683 5.553 11.167 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -21.309 5.036 9.178 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -21.327 6.724 8.708 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -19.296 6.159 9.867 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -20.189 7.284 10.773 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -20.172 5.648 11.229 1.00 2.42 H new ATOM 469 N VAL A 32 -24.581 2.071 7.329 1.00 0.20 N ATOM 470 CA VAL A 32 -25.079 0.707 7.170 1.00 0.22 C ATOM 471 C VAL A 32 -24.064 -0.171 6.438 1.00 0.18 C ATOM 472 O VAL A 32 -23.673 -1.230 6.932 1.00 0.20 O ATOM 473 CB VAL A 32 -26.422 0.680 6.407 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.898 -0.752 6.181 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.474 1.478 7.160 1.00 0.29 C ATOM 0 H VAL A 32 -25.032 2.758 6.724 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.236 0.310 8.173 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.266 1.139 5.431 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.845 -0.740 5.642 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.155 -1.294 5.597 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -27.034 -1.246 7.143 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.415 1.450 6.610 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.619 1.046 8.150 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.143 2.512 7.261 1.00 0.29 H new ATOM 485 N PHE A 33 -23.600 0.294 5.284 1.00 0.16 N ATOM 486 CA PHE A 33 -22.640 -0.469 4.484 1.00 0.15 C ATOM 487 C PHE A 33 -21.293 -0.594 5.182 1.00 0.15 C ATOM 488 O PHE A 33 -20.530 -1.506 4.887 1.00 0.17 O ATOM 489 CB PHE A 33 -22.426 0.155 3.102 1.00 0.17 C ATOM 490 CG PHE A 33 -23.343 -0.362 2.032 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.736 -1.689 2.018 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.790 0.477 1.025 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.561 -2.170 1.022 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.618 0.002 0.026 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.004 -1.324 0.024 1.00 0.29 C ATOM 0 H PHE A 33 -23.869 1.191 4.880 1.00 0.16 H new ATOM 0 HA PHE A 33 -23.073 -1.462 4.364 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.555 1.234 3.182 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.395 -0.021 2.794 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.393 -2.356 2.795 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.488 1.514 1.020 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.860 -3.208 1.023 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.963 0.667 -0.752 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.651 -1.699 -0.756 1.00 0.29 H new ATOM 505 N LYS A 34 -20.982 0.325 6.079 1.00 0.16 N ATOM 506 CA LYS A 34 -19.735 0.254 6.810 1.00 0.20 C ATOM 507 C LYS A 34 -19.773 -0.908 7.781 1.00 0.20 C ATOM 508 O LYS A 34 -18.790 -1.621 7.937 1.00 0.22 O ATOM 509 CB LYS A 34 -19.471 1.571 7.537 1.00 0.29 C ATOM 510 CG LYS A 34 -19.021 2.689 6.611 1.00 0.43 C ATOM 511 CD LYS A 34 -18.234 3.753 7.358 1.00 0.38 C ATOM 512 CE LYS A 34 -16.901 3.205 7.838 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.059 4.244 8.487 1.00 1.09 N ATOM 0 H LYS A 34 -21.572 1.122 6.316 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.917 0.089 6.109 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.379 1.881 8.055 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.708 1.411 8.299 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.406 2.275 5.812 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.892 3.144 6.139 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.066 4.611 6.707 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.814 4.108 8.210 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.078 2.393 8.543 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.361 2.780 6.992 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.161 3.820 8.797 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -15.865 5.008 7.808 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.561 4.632 9.311 1.00 1.09 H new ATOM 527 N GLN A 35 -20.925 -1.106 8.412 1.00 0.21 N ATOM 528 CA GLN A 35 -21.137 -2.247 9.292 1.00 0.24 C ATOM 529 C GLN A 35 -21.106 -3.527 8.456 1.00 0.21 C ATOM 530 O GLN A 35 -20.626 -4.570 8.895 1.00 0.24 O ATOM 531 CB GLN A 35 -22.483 -2.107 10.015 1.00 0.32 C ATOM 532 CG GLN A 35 -22.804 -3.256 10.956 1.00 0.43 C ATOM 533 CD GLN A 35 -22.014 -3.202 12.252 1.00 1.28 C ATOM 534 OE1 GLN A 35 -20.883 -2.720 12.289 1.00 2.20 O ATOM 535 NE2 GLN A 35 -22.610 -3.686 13.325 1.00 1.82 N ATOM 0 H GLN A 35 -21.731 -0.486 8.329 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.349 -2.289 10.044 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.484 -1.176 10.582 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -23.276 -2.028 9.272 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.869 -3.243 11.186 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.598 -4.200 10.451 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -23.549 -4.078 13.254 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -22.132 -3.668 14.226 1.00 1.82 H new ATOM 544 N TYR A 36 -21.551 -3.393 7.212 1.00 0.19 N ATOM 545 CA TYR A 36 -21.570 -4.488 6.253 1.00 0.18 C ATOM 546 C TYR A 36 -20.145 -4.856 5.828 1.00 0.17 C ATOM 547 O TYR A 36 -19.754 -6.024 5.846 1.00 0.19 O ATOM 548 CB TYR A 36 -22.406 -4.060 5.038 1.00 0.19 C ATOM 549 CG TYR A 36 -22.180 -4.886 3.799 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.631 -6.193 3.696 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.515 -4.331 2.725 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.414 -6.925 2.545 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.292 -5.045 1.571 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.745 -6.346 1.482 1.00 0.34 C ATOM 555 OH TYR A 36 -21.525 -7.072 0.336 1.00 0.42 O ATOM 0 H TYR A 36 -21.911 -2.515 6.839 1.00 0.19 H new ATOM 0 HA TYR A 36 -22.016 -5.371 6.711 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.462 -4.110 5.304 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.184 -3.018 4.809 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.157 -6.643 4.524 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -21.162 -3.313 2.792 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -22.765 -7.944 2.475 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.768 -4.592 0.742 1.00 1.12 H new ATOM 0 HH TYR A 36 -22.247 -7.724 0.218 1.00 0.42 H new ATOM 565 N ALA A 37 -19.380 -3.849 5.430 1.00 0.15 N ATOM 566 CA ALA A 37 -17.998 -4.042 5.010 1.00 0.16 C ATOM 567 C ALA A 37 -17.137 -4.467 6.193 1.00 0.18 C ATOM 568 O ALA A 37 -16.261 -5.327 6.066 1.00 0.22 O ATOM 569 CB ALA A 37 -17.463 -2.755 4.397 1.00 0.17 C ATOM 0 H ALA A 37 -19.697 -2.880 5.389 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.962 -4.833 4.261 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.429 -2.903 4.084 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -18.069 -2.485 3.532 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.507 -1.954 5.135 1.00 0.17 H new ATOM 575 N ASN A 38 -17.440 -3.896 7.355 1.00 0.20 N ATOM 576 CA ASN A 38 -16.709 -4.190 8.590 1.00 0.26 C ATOM 577 C ASN A 38 -16.863 -5.663 8.956 1.00 0.28 C ATOM 578 O ASN A 38 -15.908 -6.308 9.394 1.00 0.36 O ATOM 579 CB ASN A 38 -17.224 -3.306 9.752 1.00 0.31 C ATOM 580 CG ASN A 38 -16.394 -3.436 11.032 1.00 0.44 C ATOM 581 OD1 ASN A 38 -16.559 -4.392 11.787 1.00 1.03 O ATOM 582 ND2 ASN A 38 -15.551 -2.446 11.329 1.00 1.39 N ATOM 0 H ASN A 38 -18.195 -3.219 7.470 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.654 -3.971 8.423 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.224 -2.264 9.433 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.258 -3.573 9.970 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -15.023 -2.470 12.202 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -15.434 -1.665 10.684 1.00 1.39 H new ATOM 589 N ASP A 39 -18.058 -6.197 8.727 1.00 0.30 N ATOM 590 CA ASP A 39 -18.347 -7.597 9.023 1.00 0.38 C ATOM 591 C ASP A 39 -17.572 -8.530 8.090 1.00 0.33 C ATOM 592 O ASP A 39 -17.221 -9.651 8.464 1.00 0.41 O ATOM 593 CB ASP A 39 -19.853 -7.852 8.905 1.00 0.53 C ATOM 594 CG ASP A 39 -20.228 -9.308 9.102 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.554 -9.986 8.103 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.170 -9.786 10.256 1.00 1.77 O ATOM 0 H ASP A 39 -18.845 -5.680 8.336 1.00 0.30 H new ATOM 0 HA ASP A 39 -18.027 -7.807 10.044 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.377 -7.245 9.643 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -20.195 -7.525 7.923 1.00 0.53 H new ATOM 601 N ASN A 40 -17.244 -8.032 6.899 1.00 0.28 N ATOM 602 CA ASN A 40 -16.507 -8.813 5.913 1.00 0.34 C ATOM 603 C ASN A 40 -15.003 -8.635 6.100 1.00 0.32 C ATOM 604 O ASN A 40 -14.205 -9.450 5.635 1.00 0.46 O ATOM 605 CB ASN A 40 -16.916 -8.408 4.491 1.00 0.42 C ATOM 606 CG ASN A 40 -18.166 -9.125 4.016 1.00 0.92 C ATOM 607 OD1 ASN A 40 -18.084 -10.224 3.472 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.331 -8.512 4.190 1.00 0.78 N ATOM 0 H ASN A 40 -17.479 -7.087 6.595 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.752 -9.865 6.060 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.085 -7.332 4.458 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.096 -8.623 3.806 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.193 -8.953 3.868 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.364 -7.600 4.645 1.00 0.78 H new ATOM 615 N GLY A 41 -14.619 -7.589 6.821 1.00 0.25 N ATOM 616 CA GLY A 41 -13.213 -7.326 7.059 1.00 0.33 C ATOM 617 C GLY A 41 -12.609 -6.401 6.020 1.00 0.28 C ATOM 618 O GLY A 41 -11.394 -6.217 5.979 1.00 0.37 O ATOM 0 H GLY A 41 -15.258 -6.917 7.246 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -13.092 -6.884 8.048 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.666 -8.269 7.062 1.00 0.33 H new ATOM 622 N VAL A 42 -13.453 -5.802 5.186 1.00 0.23 N ATOM 623 CA VAL A 42 -12.979 -4.910 4.154 1.00 0.26 C ATOM 624 C VAL A 42 -13.035 -3.473 4.626 1.00 0.36 C ATOM 625 O VAL A 42 -14.109 -2.943 4.910 1.00 0.46 O ATOM 626 CB VAL A 42 -13.799 -5.049 2.860 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.227 -4.154 1.766 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.814 -6.499 2.429 1.00 0.29 C ATOM 0 H VAL A 42 -14.466 -5.923 5.211 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.947 -5.187 3.941 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.824 -4.728 3.044 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.820 -4.265 0.858 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.257 -3.115 2.094 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.195 -4.441 1.563 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.395 -6.600 1.512 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.793 -6.836 2.251 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.265 -7.107 3.213 1.00 0.29 H new ATOM 638 N ASP A 43 -11.876 -2.860 4.718 1.00 0.42 N ATOM 639 CA ASP A 43 -11.775 -1.466 5.125 1.00 0.55 C ATOM 640 C ASP A 43 -10.737 -0.769 4.252 1.00 0.47 C ATOM 641 O ASP A 43 -9.683 -1.339 3.969 1.00 0.68 O ATOM 642 CB ASP A 43 -11.395 -1.346 6.610 1.00 0.80 C ATOM 643 CG ASP A 43 -11.465 0.081 7.126 1.00 1.29 C ATOM 644 OD1 ASP A 43 -12.341 0.838 6.658 1.00 1.86 O ATOM 645 OD2 ASP A 43 -10.650 0.453 7.993 1.00 1.80 O ATOM 0 H ASP A 43 -10.981 -3.305 4.516 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.746 -0.988 4.996 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -12.061 -1.974 7.202 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.385 -1.729 6.753 1.00 0.80 H new ATOM 650 N GLY A 44 -11.049 0.435 3.791 1.00 0.43 N ATOM 651 CA GLY A 44 -10.163 1.133 2.889 1.00 0.37 C ATOM 652 C GLY A 44 -10.740 2.464 2.491 1.00 0.34 C ATOM 653 O GLY A 44 -11.702 2.928 3.109 1.00 0.38 O ATOM 0 H GLY A 44 -11.903 0.939 4.028 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.194 1.280 3.366 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -9.991 0.526 2.000 1.00 0.37 H new ATOM 657 N GLU A 45 -10.118 3.107 1.511 1.00 0.34 N ATOM 658 CA GLU A 45 -10.579 4.406 1.030 1.00 0.35 C ATOM 659 C GLU A 45 -12.049 4.337 0.613 1.00 0.29 C ATOM 660 O GLU A 45 -12.498 3.336 0.049 1.00 0.43 O ATOM 661 CB GLU A 45 -9.721 4.871 -0.158 1.00 0.45 C ATOM 662 CG GLU A 45 -9.908 4.058 -1.429 1.00 1.27 C ATOM 663 CD GLU A 45 -9.141 4.632 -2.605 1.00 2.01 C ATOM 664 OE1 GLU A 45 -7.987 4.215 -2.828 1.00 2.79 O ATOM 665 OE2 GLU A 45 -9.689 5.505 -3.309 1.00 2.57 O ATOM 0 H GLU A 45 -9.291 2.750 1.032 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.480 5.125 1.843 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.954 5.914 -0.372 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -8.671 4.832 0.132 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -9.582 3.033 -1.252 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -10.969 4.016 -1.677 1.00 1.27 H new ATOM 672 N TRP A 46 -12.796 5.386 0.912 1.00 0.22 N ATOM 673 CA TRP A 46 -14.203 5.441 0.541 1.00 0.24 C ATOM 674 C TRP A 46 -14.421 6.515 -0.511 1.00 0.28 C ATOM 675 O TRP A 46 -14.022 7.668 -0.332 1.00 0.41 O ATOM 676 CB TRP A 46 -15.114 5.690 1.761 1.00 0.31 C ATOM 677 CG TRP A 46 -15.563 4.423 2.435 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.753 3.508 3.046 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.914 3.921 2.575 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.498 2.474 3.550 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.822 2.702 3.278 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.195 4.370 2.181 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.940 1.935 3.594 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.301 3.598 2.504 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.166 2.396 3.202 1.00 0.35 C ATOM 0 H TRP A 46 -12.455 6.209 1.409 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.475 4.470 0.128 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.582 6.309 2.483 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -15.990 6.254 1.442 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.679 3.588 3.121 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.127 1.665 4.048 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.310 5.297 1.639 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.842 1.004 4.133 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.285 3.933 2.210 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -20.048 1.819 3.437 1.00 0.35 H new ATOM 696 N THR A 47 -14.958 6.104 -1.642 1.00 0.29 N ATOM 697 CA THR A 47 -15.250 7.009 -2.736 1.00 0.35 C ATOM 698 C THR A 47 -16.722 6.914 -3.113 1.00 0.31 C ATOM 699 O THR A 47 -17.388 5.918 -2.802 1.00 0.28 O ATOM 700 CB THR A 47 -14.369 6.707 -3.969 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.252 5.291 -4.159 1.00 0.53 O ATOM 702 CG2 THR A 47 -12.986 7.322 -3.813 1.00 0.63 C ATOM 0 H THR A 47 -15.205 5.132 -1.829 1.00 0.29 H new ATOM 0 HA THR A 47 -15.026 8.022 -2.402 1.00 0.35 H new ATOM 0 HB THR A 47 -14.847 7.149 -4.843 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.693 5.111 -4.944 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.385 7.095 -4.694 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.078 8.403 -3.705 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.502 6.909 -2.928 1.00 0.63 H new ATOM 710 N TYR A 48 -17.239 7.954 -3.754 1.00 0.38 N ATOM 711 CA TYR A 48 -18.645 7.983 -4.136 1.00 0.37 C ATOM 712 C TYR A 48 -18.841 8.807 -5.403 1.00 0.42 C ATOM 713 O TYR A 48 -18.088 9.740 -5.671 1.00 0.51 O ATOM 714 CB TYR A 48 -19.518 8.535 -2.981 1.00 0.41 C ATOM 715 CG TYR A 48 -20.983 8.756 -3.342 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.447 10.032 -3.647 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.906 7.701 -3.391 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.770 10.256 -3.978 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.230 7.928 -3.724 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.675 9.122 -3.987 1.00 0.61 C ATOM 721 OH TYR A 48 -24.974 9.428 -4.346 1.00 0.70 O ATOM 0 H TYR A 48 -16.709 8.784 -4.019 1.00 0.38 H new ATOM 0 HA TYR A 48 -18.963 6.961 -4.341 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.465 7.843 -2.140 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.094 9.481 -2.643 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.759 10.864 -3.625 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.579 6.697 -3.166 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.120 11.248 -4.223 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.912 7.092 -3.767 1.00 1.18 H new ATOM 0 HH TYR A 48 -24.972 10.190 -4.962 1.00 0.70 H new ATOM 731 N ASP A 49 -19.856 8.451 -6.176 1.00 0.42 N ATOM 732 CA ASP A 49 -20.183 9.197 -7.403 1.00 0.51 C ATOM 733 C ASP A 49 -21.679 9.515 -7.404 1.00 0.53 C ATOM 734 O ASP A 49 -22.500 8.654 -7.084 1.00 0.55 O ATOM 735 CB ASP A 49 -19.777 8.448 -8.701 1.00 0.57 C ATOM 736 CG ASP A 49 -20.251 9.178 -9.940 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.672 10.241 -10.253 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.175 8.687 -10.616 1.00 1.52 O ATOM 0 H ASP A 49 -20.469 7.658 -5.986 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.600 10.118 -7.399 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.693 8.340 -8.735 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.198 7.442 -8.688 1.00 0.57 H new ATOM 743 N ASP A 50 -22.030 10.749 -7.759 1.00 0.68 N ATOM 744 CA ASP A 50 -23.425 11.209 -7.674 1.00 0.76 C ATOM 745 C ASP A 50 -24.260 10.668 -8.827 1.00 0.73 C ATOM 746 O ASP A 50 -25.452 10.396 -8.669 1.00 0.84 O ATOM 747 CB ASP A 50 -23.478 12.752 -7.664 1.00 1.00 C ATOM 748 CG ASP A 50 -24.892 13.298 -7.670 1.00 1.56 C ATOM 749 OD1 ASP A 50 -25.345 13.784 -8.734 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.542 13.280 -6.609 1.00 2.15 O ATOM 0 H ASP A 50 -21.376 11.450 -8.107 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.846 10.827 -6.744 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -22.956 13.122 -6.782 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -22.944 13.134 -8.534 1.00 1.00 H new ATOM 755 N ALA A 51 -23.620 10.443 -9.958 1.00 0.70 N ATOM 756 CA ALA A 51 -24.320 9.980 -11.147 1.00 0.78 C ATOM 757 C ALA A 51 -24.721 8.509 -11.042 1.00 0.75 C ATOM 758 O ALA A 51 -25.761 8.109 -11.557 1.00 0.91 O ATOM 759 CB ALA A 51 -23.461 10.209 -12.379 1.00 0.91 C ATOM 0 H ALA A 51 -22.616 10.573 -10.082 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.239 10.559 -11.235 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -23.993 9.859 -13.264 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.247 11.273 -12.481 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.525 9.659 -12.278 1.00 0.91 H new ATOM 765 N THR A 52 -23.906 7.705 -10.374 1.00 0.63 N ATOM 766 CA THR A 52 -24.180 6.277 -10.274 1.00 0.65 C ATOM 767 C THR A 52 -24.723 5.858 -8.903 1.00 0.55 C ATOM 768 O THR A 52 -25.231 4.745 -8.757 1.00 0.62 O ATOM 769 CB THR A 52 -22.911 5.467 -10.583 1.00 0.74 C ATOM 770 OG1 THR A 52 -21.817 5.970 -9.804 1.00 1.06 O ATOM 771 CG2 THR A 52 -22.560 5.536 -12.065 1.00 1.19 C ATOM 0 H THR A 52 -23.058 8.012 -9.897 1.00 0.63 H new ATOM 0 HA THR A 52 -24.956 6.066 -11.009 1.00 0.65 H new ATOM 0 HB THR A 52 -23.100 4.425 -10.326 1.00 0.74 H new ATOM 0 HG1 THR A 52 -21.514 6.824 -10.178 1.00 1.06 H new ATOM 0 HG21 THR A 52 -21.658 4.954 -12.253 1.00 1.19 H new ATOM 0 HG22 THR A 52 -23.383 5.130 -12.653 1.00 1.19 H new ATOM 0 HG23 THR A 52 -22.388 6.574 -12.350 1.00 1.19 H new ATOM 779 N LYS A 53 -24.655 6.762 -7.915 1.00 0.47 N ATOM 780 CA LYS A 53 -25.098 6.450 -6.532 1.00 0.46 C ATOM 781 C LYS A 53 -24.317 5.251 -5.995 1.00 0.39 C ATOM 782 O LYS A 53 -24.808 4.484 -5.161 1.00 0.49 O ATOM 783 CB LYS A 53 -26.609 6.148 -6.461 1.00 0.59 C ATOM 784 CG LYS A 53 -27.510 7.355 -6.636 1.00 0.81 C ATOM 785 CD LYS A 53 -27.444 7.911 -8.047 1.00 0.87 C ATOM 786 CE LYS A 53 -27.861 6.888 -9.099 1.00 1.57 C ATOM 787 NZ LYS A 53 -29.313 6.576 -9.053 1.00 2.08 N ATOM 0 H LYS A 53 -24.301 7.711 -8.038 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.903 7.331 -5.921 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -26.855 5.415 -7.229 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.828 5.686 -5.498 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.538 7.077 -6.403 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.220 8.130 -5.926 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -28.090 8.786 -8.120 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -26.428 8.247 -8.254 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -27.606 7.267 -10.089 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.292 5.970 -8.953 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -29.541 5.877 -9.788 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -29.555 6.188 -8.119 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -29.860 7.445 -9.220 1.00 2.08 H new ATOM 801 N THR A 54 -23.080 5.124 -6.451 1.00 0.34 N ATOM 802 CA THR A 54 -22.241 4.005 -6.087 1.00 0.31 C ATOM 803 C THR A 54 -21.256 4.366 -4.973 1.00 0.28 C ATOM 804 O THR A 54 -20.485 5.323 -5.095 1.00 0.35 O ATOM 805 CB THR A 54 -21.424 3.504 -7.295 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.265 3.398 -8.449 1.00 0.51 O ATOM 807 CG2 THR A 54 -20.793 2.142 -6.993 1.00 0.41 C ATOM 0 H THR A 54 -22.636 5.793 -7.080 1.00 0.34 H new ATOM 0 HA THR A 54 -22.916 3.224 -5.737 1.00 0.31 H new ATOM 0 HB THR A 54 -20.629 4.224 -7.492 1.00 0.38 H new ATOM 0 HG1 THR A 54 -21.710 3.285 -9.249 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.221 1.806 -7.858 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.131 2.231 -6.132 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.578 1.418 -6.774 1.00 0.41 H new ATOM 815 N TYR A 55 -21.320 3.626 -3.880 1.00 0.21 N ATOM 816 CA TYR A 55 -20.336 3.734 -2.808 1.00 0.21 C ATOM 817 C TYR A 55 -19.256 2.695 -3.069 1.00 0.21 C ATOM 818 O TYR A 55 -19.562 1.570 -3.466 1.00 0.24 O ATOM 819 CB TYR A 55 -20.959 3.509 -1.410 1.00 0.24 C ATOM 820 CG TYR A 55 -21.672 4.720 -0.852 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.992 5.011 -1.178 1.00 1.14 C ATOM 822 CD2 TYR A 55 -21.005 5.582 0.005 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.619 6.128 -0.665 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.627 6.698 0.524 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.932 6.969 0.182 1.00 0.56 C ATOM 826 OH TYR A 55 -23.553 8.083 0.684 1.00 0.70 O ATOM 0 H TYR A 55 -22.050 2.935 -3.707 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.925 4.744 -2.805 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.664 2.679 -1.467 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -20.172 3.212 -0.717 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.534 4.354 -1.842 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.979 5.376 0.271 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.645 6.342 -0.927 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -21.093 7.355 1.195 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.996 7.858 1.529 1.00 0.70 H new ATOM 836 N THR A 56 -18.001 3.077 -2.957 1.00 0.24 N ATOM 837 CA THR A 56 -16.922 2.139 -3.215 1.00 0.29 C ATOM 838 C THR A 56 -15.870 2.173 -2.110 1.00 0.25 C ATOM 839 O THR A 56 -15.453 3.241 -1.659 1.00 0.28 O ATOM 840 CB THR A 56 -16.262 2.423 -4.581 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.253 2.349 -5.621 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.146 1.426 -4.873 1.00 0.74 C ATOM 0 H THR A 56 -17.703 4.016 -2.693 1.00 0.24 H new ATOM 0 HA THR A 56 -17.360 1.141 -3.234 1.00 0.29 H new ATOM 0 HB THR A 56 -15.830 3.423 -4.548 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.832 2.531 -6.487 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.701 1.652 -5.842 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.383 1.496 -4.098 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.555 0.416 -4.889 1.00 0.74 H new ATOM 850 N VAL A 57 -15.500 0.989 -1.633 1.00 0.24 N ATOM 851 CA VAL A 57 -14.446 0.861 -0.637 1.00 0.23 C ATOM 852 C VAL A 57 -13.287 0.092 -1.265 1.00 0.24 C ATOM 853 O VAL A 57 -13.477 -0.980 -1.841 1.00 0.30 O ATOM 854 CB VAL A 57 -14.922 0.183 0.692 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.383 -1.258 0.495 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.825 0.235 1.738 1.00 0.27 C ATOM 0 H VAL A 57 -15.916 0.104 -1.922 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.129 1.862 -0.346 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.786 0.752 1.035 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.700 -1.673 1.452 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.218 -1.280 -0.205 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.560 -1.852 0.097 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.174 -0.241 2.655 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -12.945 -0.291 1.368 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.567 1.274 1.944 1.00 0.27 H new ATOM 866 N THR A 58 -12.107 0.692 -1.253 1.00 0.26 N ATOM 867 CA THR A 58 -10.963 0.113 -1.942 1.00 0.30 C ATOM 868 C THR A 58 -9.817 -0.233 -0.992 1.00 0.32 C ATOM 869 O THR A 58 -9.367 0.614 -0.214 1.00 0.36 O ATOM 870 CB THR A 58 -10.442 1.100 -3.006 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.549 1.670 -3.722 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.513 0.402 -3.989 1.00 0.52 C ATOM 0 H THR A 58 -11.916 1.574 -0.777 1.00 0.26 H new ATOM 0 HA THR A 58 -11.307 -0.812 -2.404 1.00 0.30 H new ATOM 0 HB THR A 58 -9.884 1.886 -2.497 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.214 2.298 -4.396 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.160 1.120 -4.729 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.661 -0.014 -3.452 1.00 0.52 H new ATOM 0 HG23 THR A 58 -10.052 -0.401 -4.492 1.00 0.52 H new ATOM 880 N GLU A 59 -9.358 -1.483 -1.051 1.00 0.35 N ATOM 881 CA GLU A 59 -8.170 -1.886 -0.300 1.00 0.42 C ATOM 882 C GLU A 59 -6.953 -1.338 -1.053 1.00 0.53 C ATOM 883 O GLU A 59 -6.574 -1.895 -2.082 1.00 0.75 O ATOM 884 CB GLU A 59 -8.026 -3.423 -0.161 1.00 0.44 C ATOM 885 CG GLU A 59 -9.116 -4.136 0.643 1.00 0.78 C ATOM 886 CD GLU A 59 -8.699 -5.543 1.045 1.00 1.79 C ATOM 887 OE1 GLU A 59 -9.169 -6.504 0.411 1.00 2.34 O ATOM 888 OE2 GLU A 59 -7.896 -5.696 1.992 1.00 2.56 O ATOM 0 H GLU A 59 -9.785 -2.226 -1.604 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.252 -1.490 0.712 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -8.000 -3.856 -1.161 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.063 -3.636 0.304 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -9.345 -3.556 1.537 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -10.030 -4.184 0.051 1.00 0.78 H new ATOM 895 N GLY A 60 -6.412 -0.194 -0.622 1.00 0.79 N ATOM 896 CA GLY A 60 -5.307 0.418 -1.350 1.00 0.91 C ATOM 897 C GLY A 60 -4.094 -0.480 -1.458 1.00 1.48 C ATOM 898 O GLY A 60 -3.448 -0.786 -0.453 1.00 2.32 O ATOM 0 H GLY A 60 -6.716 0.314 0.209 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -5.644 0.685 -2.352 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -5.022 1.345 -0.852 1.00 0.91 H new ATOM 902 N SER A 61 -3.808 -0.921 -2.676 1.00 1.79 N ATOM 903 CA SER A 61 -2.656 -1.766 -2.940 1.00 2.75 C ATOM 904 C SER A 61 -1.364 -0.997 -2.677 1.00 2.84 C ATOM 905 O SER A 61 -0.937 -0.171 -3.492 1.00 3.18 O ATOM 906 CB SER A 61 -2.691 -2.275 -4.383 1.00 3.69 C ATOM 907 OG SER A 61 -3.910 -2.953 -4.657 1.00 4.41 O ATOM 0 H SER A 61 -4.365 -0.704 -3.502 1.00 1.79 H new ATOM 0 HA SER A 61 -2.691 -2.624 -2.269 1.00 2.75 H new ATOM 0 HB2 SER A 61 -2.575 -1.437 -5.070 1.00 3.69 H new ATOM 0 HB3 SER A 61 -1.851 -2.947 -4.555 1.00 3.69 H new ATOM 0 HG SER A 61 -3.908 -3.267 -5.585 1.00 4.41 H new ATOM 913 N GLY A 62 -0.799 -1.215 -1.497 1.00 3.15 N ATOM 914 CA GLY A 62 0.435 -0.560 -1.121 1.00 3.63 C ATOM 915 C GLY A 62 1.570 -1.544 -0.996 1.00 4.11 C ATOM 916 O GLY A 62 2.139 -1.724 0.079 1.00 4.49 O ATOM 0 H GLY A 62 -1.180 -1.841 -0.788 1.00 3.15 H new ATOM 0 HA2 GLY A 62 0.688 0.195 -1.865 1.00 3.63 H new ATOM 0 HA3 GLY A 62 0.297 -0.040 -0.173 1.00 3.63 H new ATOM 920 N GLY A 63 1.922 -2.159 -2.109 1.00 4.57 N ATOM 921 CA GLY A 63 2.985 -3.132 -2.114 1.00 5.36 C ATOM 922 C GLY A 63 4.346 -2.490 -2.285 1.00 5.56 C ATOM 923 O GLY A 63 5.248 -3.091 -2.870 1.00 6.24 O ATOM 0 H GLY A 63 1.485 -1.999 -3.017 1.00 4.57 H new ATOM 0 HA2 GLY A 63 2.965 -3.695 -1.181 1.00 5.36 H new ATOM 0 HA3 GLY A 63 2.818 -3.846 -2.920 1.00 5.36 H new ATOM 927 N ALA A 64 4.468 -1.251 -1.804 1.00 5.28 N ATOM 928 CA ALA A 64 5.716 -0.486 -1.870 1.00 5.82 C ATOM 929 C ALA A 64 6.161 -0.234 -3.310 1.00 6.16 C ATOM 930 O ALA A 64 7.321 0.107 -3.557 1.00 6.23 O ATOM 931 CB ALA A 64 6.816 -1.188 -1.083 1.00 6.29 C ATOM 0 H ALA A 64 3.702 -0.748 -1.356 1.00 5.28 H new ATOM 0 HA ALA A 64 5.524 0.487 -1.417 1.00 5.82 H new ATOM 0 HB1 ALA A 64 7.735 -0.605 -1.143 1.00 6.29 H new ATOM 0 HB2 ALA A 64 6.514 -1.282 -0.040 1.00 6.29 H new ATOM 0 HB3 ALA A 64 6.987 -2.180 -1.502 1.00 6.29 H new ATOM 937 N GLY A 65 5.229 -0.342 -4.247 1.00 6.75 N ATOM 938 CA GLY A 65 5.552 -0.119 -5.641 1.00 7.43 C ATOM 939 C GLY A 65 4.322 0.122 -6.492 1.00 8.04 C ATOM 940 O GLY A 65 3.210 -0.267 -6.121 1.00 8.41 O ATOM 0 H GLY A 65 4.254 -0.580 -4.066 1.00 6.75 H new ATOM 0 HA2 GLY A 65 6.220 0.739 -5.723 1.00 7.43 H new ATOM 0 HA3 GLY A 65 6.093 -0.983 -6.027 1.00 7.43 H new ATOM 944 N GLY A 66 4.528 0.750 -7.638 1.00 8.36 N ATOM 945 CA GLY A 66 3.437 1.051 -8.543 1.00 9.12 C ATOM 946 C GLY A 66 3.228 -0.041 -9.572 1.00 9.70 C ATOM 947 O GLY A 66 2.997 0.246 -10.747 1.00 10.44 O ATOM 0 H GLY A 66 5.444 1.061 -7.962 1.00 8.36 H new ATOM 0 HA2 GLY A 66 2.520 1.188 -7.970 1.00 9.12 H new ATOM 0 HA3 GLY A 66 3.639 1.993 -9.052 1.00 9.12 H new ATOM 951 N GLN A 67 3.443 -1.282 -9.153 1.00 9.54 N ATOM 952 CA GLN A 67 3.292 -2.440 -10.030 1.00 10.26 C ATOM 953 C GLN A 67 1.874 -2.537 -10.593 1.00 10.54 C ATOM 954 O GLN A 67 0.941 -2.930 -9.893 1.00 10.70 O ATOM 955 CB GLN A 67 3.639 -3.728 -9.276 1.00 10.71 C ATOM 956 CG GLN A 67 5.093 -3.796 -8.827 1.00 11.09 C ATOM 957 CD GLN A 67 6.072 -3.689 -9.986 1.00 11.64 C ATOM 958 OE1 GLN A 67 5.773 -4.108 -11.104 1.00 11.68 O ATOM 959 NE2 GLN A 67 7.243 -3.129 -9.731 1.00 12.25 N ATOM 0 H GLN A 67 3.726 -1.515 -8.201 1.00 9.54 H new ATOM 0 HA GLN A 67 3.981 -2.312 -10.865 1.00 10.26 H new ATOM 0 HB2 GLN A 67 2.993 -3.814 -8.402 1.00 10.71 H new ATOM 0 HB3 GLN A 67 3.424 -4.584 -9.916 1.00 10.71 H new ATOM 0 HG2 GLN A 67 5.288 -2.992 -8.117 1.00 11.09 H new ATOM 0 HG3 GLN A 67 5.262 -4.735 -8.299 1.00 11.09 H new ATOM 0 HE21 GLN A 67 7.454 -2.794 -8.791 1.00 12.25 H new ATOM 0 HE22 GLN A 67 7.935 -3.032 -10.474 1.00 12.25 H new ATOM 968 N GLY A 68 1.722 -2.141 -11.847 1.00 10.79 N ATOM 969 CA GLY A 68 0.429 -2.199 -12.502 1.00 11.26 C ATOM 970 C GLY A 68 0.255 -1.053 -13.479 1.00 11.69 C ATOM 971 O GLY A 68 0.818 0.018 -13.263 1.00 11.72 O ATOM 0 H GLY A 68 2.477 -1.777 -12.428 1.00 10.79 H new ATOM 0 HA2 GLY A 68 0.328 -3.148 -13.029 1.00 11.26 H new ATOM 0 HA3 GLY A 68 -0.362 -2.165 -11.753 1.00 11.26 H new ATOM 975 N MET A 69 -0.500 -1.278 -14.559 1.00 12.22 N ATOM 976 CA MET A 69 -0.735 -0.244 -15.571 1.00 12.82 C ATOM 977 C MET A 69 0.588 0.324 -16.091 1.00 13.10 C ATOM 978 O MET A 69 0.717 1.528 -16.327 1.00 13.24 O ATOM 979 CB MET A 69 -1.602 0.888 -14.995 1.00 13.26 C ATOM 980 CG MET A 69 -2.986 0.443 -14.541 1.00 13.52 C ATOM 981 SD MET A 69 -3.983 1.800 -13.897 1.00 14.03 S ATOM 982 CE MET A 69 -5.485 0.925 -13.466 1.00 14.29 C ATOM 0 H MET A 69 -0.959 -2.168 -14.755 1.00 12.22 H new ATOM 0 HA MET A 69 -1.265 -0.706 -16.404 1.00 12.82 H new ATOM 0 HB2 MET A 69 -1.081 1.336 -14.149 1.00 13.26 H new ATOM 0 HB3 MET A 69 -1.712 1.667 -15.750 1.00 13.26 H new ATOM 0 HG2 MET A 69 -3.507 -0.018 -15.380 1.00 13.52 H new ATOM 0 HG3 MET A 69 -2.882 -0.322 -13.771 1.00 13.52 H new ATOM 0 HE1 MET A 69 -6.209 1.627 -13.051 1.00 14.29 H new ATOM 0 HE2 MET A 69 -5.903 0.458 -14.358 1.00 14.29 H new ATOM 0 HE3 MET A 69 -5.259 0.157 -12.726 1.00 14.29 H new ATOM 992 N ILE A 70 1.507 -0.568 -16.430 1.00 13.36 N ATOM 993 CA ILE A 70 2.838 -0.149 -16.862 1.00 13.79 C ATOM 994 C ILE A 70 2.910 -0.195 -18.376 1.00 14.28 C ATOM 995 O ILE A 70 3.454 -1.128 -18.961 1.00 14.51 O ATOM 996 CB ILE A 70 3.984 -1.018 -16.253 1.00 13.60 C ATOM 997 CG1 ILE A 70 3.828 -1.101 -14.734 1.00 13.34 C ATOM 998 CG2 ILE A 70 5.371 -0.450 -16.609 1.00 14.13 C ATOM 999 CD1 ILE A 70 4.835 -2.024 -14.069 1.00 13.69 C ATOM 0 H ILE A 70 1.361 -1.577 -16.416 1.00 13.36 H new ATOM 0 HA ILE A 70 2.989 0.867 -16.498 1.00 13.79 H new ATOM 0 HB ILE A 70 3.910 -2.018 -16.680 1.00 13.60 H new ATOM 0 HG12 ILE A 70 3.930 -0.101 -14.312 1.00 13.34 H new ATOM 0 HG13 ILE A 70 2.821 -1.446 -14.499 1.00 13.34 H new ATOM 0 HG21 ILE A 70 6.145 -1.079 -16.169 1.00 14.13 H new ATOM 0 HG22 ILE A 70 5.490 -0.432 -17.692 1.00 14.13 H new ATOM 0 HG23 ILE A 70 5.461 0.563 -16.217 1.00 14.13 H new ATOM 0 HD11 ILE A 70 4.664 -2.033 -12.992 1.00 13.69 H new ATOM 0 HD12 ILE A 70 4.719 -3.033 -14.464 1.00 13.69 H new ATOM 0 HD13 ILE A 70 5.845 -1.668 -14.273 1.00 13.69 H new ATOM 1011 N GLN A 71 2.218 0.739 -19.000 1.00 14.61 N ATOM 1012 CA GLN A 71 2.178 0.823 -20.447 1.00 15.25 C ATOM 1013 C GLN A 71 2.490 2.242 -20.903 1.00 16.12 C ATOM 1014 O GLN A 71 2.232 2.614 -22.051 1.00 16.80 O ATOM 1015 CB GLN A 71 0.804 0.397 -20.954 1.00 15.18 C ATOM 1016 CG GLN A 71 0.512 -1.080 -20.762 1.00 15.42 C ATOM 1017 CD GLN A 71 -0.877 -1.459 -21.232 1.00 15.46 C ATOM 1018 OE1 GLN A 71 -1.835 -1.438 -20.459 1.00 15.61 O ATOM 1019 NE2 GLN A 71 -1.000 -1.809 -22.500 1.00 15.48 N ATOM 0 H GLN A 71 1.672 1.456 -18.522 1.00 14.61 H new ATOM 0 HA GLN A 71 2.932 0.152 -20.860 1.00 15.25 H new ATOM 0 HB2 GLN A 71 0.040 0.979 -20.438 1.00 15.18 H new ATOM 0 HB3 GLN A 71 0.727 0.638 -22.014 1.00 15.18 H new ATOM 0 HG2 GLN A 71 1.250 -1.668 -21.308 1.00 15.42 H new ATOM 0 HG3 GLN A 71 0.618 -1.335 -19.707 1.00 15.42 H new ATOM 0 HE21 GLN A 71 -0.182 -1.814 -23.109 1.00 15.48 H new ATOM 0 HE22 GLN A 71 -1.913 -2.074 -22.870 1.00 15.48 H new ATOM 1028 N GLU A 72 3.058 3.025 -19.997 1.00 16.21 N ATOM 1029 CA GLU A 72 3.412 4.404 -20.289 1.00 17.08 C ATOM 1030 C GLU A 72 4.914 4.515 -20.531 1.00 17.64 C ATOM 1031 O GLU A 72 5.710 3.947 -19.780 1.00 17.36 O ATOM 1032 CB GLU A 72 2.980 5.314 -19.137 1.00 17.12 C ATOM 1033 CG GLU A 72 1.478 5.368 -18.940 1.00 16.82 C ATOM 1034 CD GLU A 72 1.078 6.254 -17.779 1.00 16.87 C ATOM 1035 OE1 GLU A 72 0.322 5.789 -16.902 1.00 16.46 O ATOM 1036 OE2 GLU A 72 1.532 7.412 -17.728 1.00 17.42 O ATOM 0 H GLU A 72 3.284 2.725 -19.049 1.00 16.21 H new ATOM 0 HA GLU A 72 2.891 4.723 -21.192 1.00 17.08 H new ATOM 0 HB2 GLU A 72 3.447 4.967 -18.215 1.00 17.12 H new ATOM 0 HB3 GLU A 72 3.351 6.322 -19.322 1.00 17.12 H new ATOM 0 HG2 GLU A 72 1.008 5.735 -19.852 1.00 16.82 H new ATOM 0 HG3 GLU A 72 1.100 4.360 -18.771 1.00 16.82 H new ATOM 1043 N PRO A 73 5.321 5.218 -21.600 1.00 18.53 N ATOM 1044 CA PRO A 73 6.735 5.363 -21.963 1.00 19.22 C ATOM 1045 C PRO A 73 7.488 6.285 -21.019 1.00 19.49 C ATOM 1046 O PRO A 73 6.887 6.998 -20.212 1.00 19.26 O ATOM 1047 CB PRO A 73 6.684 5.989 -23.358 1.00 20.10 C ATOM 1048 CG PRO A 73 5.414 6.765 -23.345 1.00 20.05 C ATOM 1049 CD PRO A 73 4.444 5.947 -22.533 1.00 19.04 C ATOM 0 HA PRO A 73 7.258 4.407 -21.918 1.00 19.22 H new ATOM 0 HB2 PRO A 73 7.545 6.632 -23.541 1.00 20.10 H new ATOM 0 HB3 PRO A 73 6.682 5.229 -24.139 1.00 20.10 H new ATOM 0 HG2 PRO A 73 5.562 7.750 -22.902 1.00 20.05 H new ATOM 0 HG3 PRO A 73 5.041 6.923 -24.357 1.00 20.05 H new ATOM 0 HD2 PRO A 73 3.729 6.577 -22.005 1.00 19.04 H new ATOM 0 HD3 PRO A 73 3.867 5.266 -23.159 1.00 19.04 H new ATOM 1057 N ALA A 74 8.802 6.282 -21.160 1.00 20.11 N ATOM 1058 CA ALA A 74 9.680 7.123 -20.363 1.00 20.56 C ATOM 1059 C ALA A 74 11.102 7.015 -20.890 1.00 20.94 C ATOM 1060 O ALA A 74 11.389 6.152 -21.724 1.00 20.85 O ATOM 1061 CB ALA A 74 9.635 6.732 -18.887 1.00 20.34 C ATOM 0 H ALA A 74 9.293 5.694 -21.833 1.00 20.11 H new ATOM 0 HA ALA A 74 9.336 8.154 -20.444 1.00 20.56 H new ATOM 0 HB1 ALA A 74 10.302 7.380 -18.319 1.00 20.34 H new ATOM 0 HB2 ALA A 74 8.617 6.841 -18.513 1.00 20.34 H new ATOM 0 HB3 ALA A 74 9.953 5.696 -18.775 1.00 20.34 H new ATOM 1067 N LEU A 75 11.991 7.874 -20.406 1.00 21.47 N ATOM 1068 CA LEU A 75 13.383 7.846 -20.837 1.00 21.98 C ATOM 1069 C LEU A 75 14.117 6.691 -20.155 1.00 22.04 C ATOM 1070 O LEU A 75 13.745 6.293 -19.046 1.00 21.90 O ATOM 1071 CB LEU A 75 14.081 9.178 -20.520 1.00 22.62 C ATOM 1072 CG LEU A 75 13.764 10.355 -21.459 1.00 22.85 C ATOM 1073 CD1 LEU A 75 14.043 9.981 -22.904 1.00 22.94 C ATOM 1074 CD2 LEU A 75 12.322 10.818 -21.300 1.00 22.46 C ATOM 0 H LEU A 75 11.774 8.595 -19.718 1.00 21.47 H new ATOM 0 HA LEU A 75 13.407 7.697 -21.917 1.00 21.98 H new ATOM 0 HB2 LEU A 75 13.815 9.470 -19.504 1.00 22.62 H new ATOM 0 HB3 LEU A 75 15.158 9.011 -20.532 1.00 22.62 H new ATOM 0 HG LEU A 75 14.416 11.183 -21.182 1.00 22.85 H new ATOM 0 HD11 LEU A 75 13.812 10.828 -23.550 1.00 22.94 H new ATOM 0 HD12 LEU A 75 15.095 9.716 -23.015 1.00 22.94 H new ATOM 0 HD13 LEU A 75 13.423 9.130 -23.186 1.00 22.94 H new ATOM 0 HD21 LEU A 75 12.130 11.650 -21.977 1.00 22.46 H new ATOM 0 HD22 LEU A 75 11.647 9.995 -21.537 1.00 22.46 H new ATOM 0 HD23 LEU A 75 12.155 11.140 -20.272 1.00 22.46 H new ATOM 1086 N PRO A 76 15.133 6.092 -20.810 1.00 22.33 N ATOM 1087 CA PRO A 76 15.901 4.992 -20.217 1.00 22.55 C ATOM 1088 C PRO A 76 16.819 5.500 -19.110 1.00 23.16 C ATOM 1089 O PRO A 76 17.244 6.655 -19.147 1.00 23.54 O ATOM 1090 CB PRO A 76 16.751 4.449 -21.396 1.00 22.90 C ATOM 1091 CG PRO A 76 16.159 5.070 -22.616 1.00 22.69 C ATOM 1092 CD PRO A 76 15.641 6.416 -22.155 1.00 22.58 C ATOM 0 HA PRO A 76 15.257 4.238 -19.766 1.00 22.55 H new ATOM 0 HB2 PRO A 76 17.801 4.721 -21.284 1.00 22.90 H new ATOM 0 HB3 PRO A 76 16.707 3.361 -21.446 1.00 22.90 H new ATOM 0 HG2 PRO A 76 16.904 5.182 -23.404 1.00 22.69 H new ATOM 0 HG3 PRO A 76 15.356 4.455 -23.022 1.00 22.69 H new ATOM 0 HD2 PRO A 76 16.428 7.170 -22.125 1.00 22.58 H new ATOM 0 HD3 PRO A 76 14.857 6.799 -22.808 1.00 22.58 H new ATOM 1100 N PRO A 77 17.090 4.671 -18.086 1.00 23.33 N ATOM 1101 CA PRO A 77 18.000 5.029 -16.989 1.00 24.01 C ATOM 1102 C PRO A 77 19.306 5.630 -17.494 1.00 24.77 C ATOM 1103 O PRO A 77 20.011 5.034 -18.312 1.00 25.03 O ATOM 1104 CB PRO A 77 18.246 3.684 -16.310 1.00 24.14 C ATOM 1105 CG PRO A 77 16.947 2.988 -16.481 1.00 23.57 C ATOM 1106 CD PRO A 77 16.501 3.331 -17.885 1.00 23.01 C ATOM 0 HA PRO A 77 17.584 5.790 -16.329 1.00 24.01 H new ATOM 0 HB2 PRO A 77 19.063 3.137 -16.780 1.00 24.14 H new ATOM 0 HB3 PRO A 77 18.506 3.803 -15.258 1.00 24.14 H new ATOM 0 HG2 PRO A 77 17.057 1.911 -16.354 1.00 23.57 H new ATOM 0 HG3 PRO A 77 16.219 3.324 -15.742 1.00 23.57 H new ATOM 0 HD2 PRO A 77 16.870 2.611 -18.616 1.00 23.01 H new ATOM 0 HD3 PRO A 77 15.415 3.347 -17.974 1.00 23.01 H new ATOM 1114 N GLY A 78 19.616 6.815 -17.007 1.00 25.21 N ATOM 1115 CA GLY A 78 20.803 7.518 -17.454 1.00 26.01 C ATOM 1116 C GLY A 78 20.496 8.578 -18.502 1.00 25.92 C ATOM 1117 O GLY A 78 21.174 9.603 -18.561 1.00 26.59 O ATOM 0 H GLY A 78 19.066 7.310 -16.305 1.00 25.21 H new ATOM 0 HA2 GLY A 78 21.286 7.988 -16.598 1.00 26.01 H new ATOM 0 HA3 GLY A 78 21.512 6.800 -17.866 1.00 26.01 H new ATOM 1121 N TRP A 79 19.462 8.357 -19.310 1.00 25.19 N ATOM 1122 CA TRP A 79 19.061 9.332 -20.326 1.00 25.16 C ATOM 1123 C TRP A 79 17.982 10.244 -19.756 1.00 24.97 C ATOM 1124 O TRP A 79 17.172 9.804 -18.940 1.00 24.43 O ATOM 1125 CB TRP A 79 18.492 8.622 -21.567 1.00 24.58 C ATOM 1126 CG TRP A 79 19.479 7.776 -22.316 1.00 24.92 C ATOM 1127 CD1 TRP A 79 19.852 6.493 -22.023 1.00 24.92 C ATOM 1128 CD2 TRP A 79 20.189 8.139 -23.508 1.00 25.44 C ATOM 1129 NE1 TRP A 79 20.760 6.044 -22.947 1.00 25.41 N ATOM 1130 CE2 TRP A 79 20.985 7.036 -23.866 1.00 25.73 C ATOM 1131 CE3 TRP A 79 20.238 9.293 -24.303 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 21.813 7.050 -24.987 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 21.060 9.300 -25.411 1.00 26.34 C ATOM 1134 CH2 TRP A 79 21.838 8.188 -25.743 1.00 26.61 C ATOM 0 H TRP A 79 18.887 7.515 -19.283 1.00 25.19 H new ATOM 0 HA TRP A 79 19.940 9.910 -20.612 1.00 25.16 H new ATOM 0 HB2 TRP A 79 17.657 7.993 -21.258 1.00 24.58 H new ATOM 0 HB3 TRP A 79 18.090 9.374 -22.246 1.00 24.58 H new ATOM 0 HD1 TRP A 79 19.485 5.918 -21.186 1.00 24.92 H new ATOM 0 HE1 TRP A 79 21.197 5.122 -22.950 1.00 25.41 H new ATOM 0 HE3 TRP A 79 19.644 10.159 -24.053 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 22.414 6.192 -25.249 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 21.103 10.182 -26.033 1.00 26.34 H new ATOM 0 HH2 TRP A 79 22.473 8.229 -26.616 1.00 26.61 H new ATOM 1145 N GLU A 80 17.982 11.518 -20.135 1.00 25.51 N ATOM 1146 CA GLU A 80 16.920 12.411 -19.714 1.00 25.50 C ATOM 1147 C GLU A 80 16.572 13.371 -20.838 1.00 25.52 C ATOM 1148 O GLU A 80 17.389 13.627 -21.727 1.00 25.91 O ATOM 1149 CB GLU A 80 17.304 13.196 -18.463 1.00 26.28 C ATOM 1150 CG GLU A 80 16.117 13.448 -17.546 1.00 26.33 C ATOM 1151 CD GLU A 80 16.342 14.587 -16.582 1.00 26.69 C ATOM 1152 OE1 GLU A 80 17.403 14.599 -15.923 1.00 26.95 O ATOM 1153 OE2 GLU A 80 15.461 15.464 -16.466 1.00 26.80 O ATOM 0 H GLU A 80 18.696 11.946 -20.724 1.00 25.51 H new ATOM 0 HA GLU A 80 16.051 11.800 -19.471 1.00 25.50 H new ATOM 0 HB2 GLU A 80 18.072 12.649 -17.916 1.00 26.28 H new ATOM 0 HB3 GLU A 80 17.741 14.150 -18.757 1.00 26.28 H new ATOM 0 HG2 GLU A 80 15.237 13.662 -18.152 1.00 26.33 H new ATOM 0 HG3 GLU A 80 15.903 12.540 -16.982 1.00 26.33 H new ATOM 1160 N MET A 81 15.374 13.924 -20.769 1.00 25.18 N ATOM 1161 CA MET A 81 14.882 14.832 -21.787 1.00 25.27 C ATOM 1162 C MET A 81 14.515 16.169 -21.146 1.00 25.77 C ATOM 1163 O MET A 81 13.844 16.197 -20.112 1.00 25.60 O ATOM 1164 CB MET A 81 13.668 14.200 -22.480 1.00 24.50 C ATOM 1165 CG MET A 81 13.131 14.985 -23.670 1.00 24.68 C ATOM 1166 SD MET A 81 12.139 16.414 -23.193 1.00 24.52 S ATOM 1167 CE MET A 81 11.618 16.987 -24.804 1.00 24.27 C ATOM 0 H MET A 81 14.717 13.756 -20.007 1.00 25.18 H new ATOM 0 HA MET A 81 15.654 15.014 -22.534 1.00 25.27 H new ATOM 0 HB2 MET A 81 13.939 13.199 -22.816 1.00 24.50 H new ATOM 0 HB3 MET A 81 12.869 14.085 -21.748 1.00 24.50 H new ATOM 0 HG2 MET A 81 13.968 15.321 -24.283 1.00 24.68 H new ATOM 0 HG3 MET A 81 12.527 14.323 -24.290 1.00 24.68 H new ATOM 0 HE1 MET A 81 12.117 17.928 -25.035 1.00 24.27 H new ATOM 0 HE2 MET A 81 11.880 16.243 -25.557 1.00 24.27 H new ATOM 0 HE3 MET A 81 10.539 17.139 -24.804 1.00 24.27 H new ATOM 1177 N LYS A 82 14.966 17.266 -21.748 1.00 26.46 N ATOM 1178 CA LYS A 82 14.693 18.608 -21.225 1.00 27.08 C ATOM 1179 C LYS A 82 14.576 19.603 -22.384 1.00 27.55 C ATOM 1180 O LYS A 82 15.089 19.351 -23.477 1.00 27.58 O ATOM 1181 CB LYS A 82 15.813 19.087 -20.268 1.00 27.79 C ATOM 1182 CG LYS A 82 16.051 18.223 -19.035 1.00 27.45 C ATOM 1183 CD LYS A 82 17.179 18.808 -18.190 1.00 28.23 C ATOM 1184 CE LYS A 82 17.485 17.967 -16.957 1.00 28.14 C ATOM 1185 NZ LYS A 82 16.318 17.851 -16.042 1.00 28.22 N ATOM 0 H LYS A 82 15.524 17.255 -22.602 1.00 26.46 H new ATOM 0 HA LYS A 82 13.757 18.559 -20.668 1.00 27.08 H new ATOM 0 HB2 LYS A 82 16.744 19.147 -20.831 1.00 27.79 H new ATOM 0 HB3 LYS A 82 15.575 20.098 -19.938 1.00 27.79 H new ATOM 0 HG2 LYS A 82 15.138 18.162 -18.443 1.00 27.45 H new ATOM 0 HG3 LYS A 82 16.303 17.207 -19.338 1.00 27.45 H new ATOM 0 HD2 LYS A 82 18.078 18.892 -18.800 1.00 28.23 H new ATOM 0 HD3 LYS A 82 16.909 19.817 -17.879 1.00 28.23 H new ATOM 0 HE2 LYS A 82 17.798 16.971 -17.269 1.00 28.14 H new ATOM 0 HE3 LYS A 82 18.323 18.410 -16.418 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 16.653 17.781 -15.060 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 15.713 18.691 -16.142 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 15.771 17.000 -16.283 1.00 28.22 H new ATOM 1199 N TYR A 83 13.872 20.708 -22.148 1.00 27.96 N ATOM 1200 CA TYR A 83 13.743 21.782 -23.139 1.00 28.50 C ATOM 1201 C TYR A 83 14.657 22.947 -22.767 1.00 29.50 C ATOM 1202 O TYR A 83 14.899 23.195 -21.585 1.00 29.77 O ATOM 1203 CB TYR A 83 12.293 22.309 -23.222 1.00 28.32 C ATOM 1204 CG TYR A 83 11.307 21.359 -23.867 1.00 27.47 C ATOM 1205 CD1 TYR A 83 11.106 21.379 -25.242 1.00 27.19 C ATOM 1206 CD2 TYR A 83 10.555 20.468 -23.105 1.00 27.03 C ATOM 1207 CE1 TYR A 83 10.196 20.529 -25.843 1.00 26.48 C ATOM 1208 CE2 TYR A 83 9.647 19.614 -23.702 1.00 26.32 C ATOM 1209 CZ TYR A 83 9.466 19.655 -25.068 1.00 26.04 C ATOM 1210 OH TYR A 83 8.559 18.808 -25.666 1.00 25.39 O ATOM 0 H TYR A 83 13.378 20.887 -21.274 1.00 27.96 H new ATOM 0 HA TYR A 83 14.025 21.366 -24.106 1.00 28.50 H new ATOM 0 HB2 TYR A 83 11.947 22.540 -22.214 1.00 28.32 H new ATOM 0 HB3 TYR A 83 12.293 23.245 -23.781 1.00 28.32 H new ATOM 0 HD1 TYR A 83 11.670 22.070 -25.851 1.00 27.19 H new ATOM 0 HD2 TYR A 83 10.683 20.444 -22.033 1.00 27.03 H new ATOM 0 HE1 TYR A 83 10.058 20.550 -26.914 1.00 26.48 H new ATOM 0 HE2 TYR A 83 9.082 18.917 -23.101 1.00 26.32 H new ATOM 0 HH TYR A 83 8.127 18.255 -24.982 1.00 25.39 H new ATOM 1220 N THR A 84 15.199 23.635 -23.769 1.00 30.09 N ATOM 1221 CA THR A 84 16.014 24.821 -23.517 1.00 31.09 C ATOM 1222 C THR A 84 15.090 26.001 -23.197 1.00 31.47 C ATOM 1223 O THR A 84 13.867 25.867 -23.274 1.00 30.98 O ATOM 1224 CB THR A 84 16.919 25.195 -24.722 1.00 31.69 C ATOM 1225 OG1 THR A 84 16.120 25.718 -25.795 1.00 31.75 O ATOM 1226 CG2 THR A 84 17.693 23.994 -25.232 1.00 31.35 C ATOM 0 H THR A 84 15.090 23.395 -24.754 1.00 30.09 H new ATOM 0 HA THR A 84 16.670 24.595 -22.677 1.00 31.09 H new ATOM 0 HB THR A 84 17.627 25.948 -24.376 1.00 31.69 H new ATOM 0 HG1 THR A 84 16.699 25.953 -26.550 1.00 31.75 H new ATOM 0 HG21 THR A 84 18.315 24.294 -26.075 1.00 31.35 H new ATOM 0 HG22 THR A 84 18.326 23.603 -24.435 1.00 31.35 H new ATOM 0 HG23 THR A 84 16.995 23.221 -25.553 1.00 31.35 H new ATOM 1234 N SER A 85 15.661 27.170 -22.927 1.00 32.40 N ATOM 1235 CA SER A 85 14.871 28.360 -22.608 1.00 32.91 C ATOM 1236 C SER A 85 14.234 28.968 -23.863 1.00 33.07 C ATOM 1237 O SER A 85 13.634 30.042 -23.818 1.00 33.44 O ATOM 1238 CB SER A 85 15.765 29.380 -21.903 1.00 33.91 C ATOM 1239 OG SER A 85 17.070 29.382 -22.467 1.00 34.32 O ATOM 0 H SER A 85 16.670 27.322 -22.922 1.00 32.40 H new ATOM 0 HA SER A 85 14.055 28.071 -21.946 1.00 32.91 H new ATOM 0 HB2 SER A 85 15.326 30.374 -21.987 1.00 33.91 H new ATOM 0 HB3 SER A 85 15.824 29.146 -20.840 1.00 33.91 H new ATOM 0 HG SER A 85 17.626 30.043 -22.003 1.00 34.32 H new ATOM 1245 N GLU A 86 14.301 28.220 -24.953 1.00 32.82 N ATOM 1246 CA GLU A 86 13.780 28.652 -26.246 1.00 33.03 C ATOM 1247 C GLU A 86 12.726 27.646 -26.725 1.00 32.13 C ATOM 1248 O GLU A 86 12.079 27.830 -27.757 1.00 32.23 O ATOM 1249 CB GLU A 86 14.947 28.734 -27.232 1.00 33.61 C ATOM 1250 CG GLU A 86 14.592 29.316 -28.585 1.00 34.45 C ATOM 1251 CD GLU A 86 15.806 29.437 -29.467 1.00 34.93 C ATOM 1252 OE1 GLU A 86 16.480 28.410 -29.698 1.00 34.87 O ATOM 1253 OE2 GLU A 86 16.075 30.551 -29.961 1.00 35.43 O ATOM 0 H GLU A 86 14.720 27.290 -24.968 1.00 32.82 H new ATOM 0 HA GLU A 86 13.308 29.632 -26.169 1.00 33.03 H new ATOM 0 HB2 GLU A 86 15.738 29.338 -26.788 1.00 33.61 H new ATOM 0 HB3 GLU A 86 15.353 27.733 -27.377 1.00 33.61 H new ATOM 0 HG2 GLU A 86 13.849 28.684 -29.071 1.00 34.45 H new ATOM 0 HG3 GLU A 86 14.137 30.298 -28.452 1.00 34.45 H new ATOM 1260 N GLY A 87 12.540 26.596 -25.932 1.00 31.30 N ATOM 1261 CA GLY A 87 11.584 25.556 -26.271 1.00 30.42 C ATOM 1262 C GLY A 87 12.161 24.485 -27.183 1.00 30.02 C ATOM 1263 O GLY A 87 11.416 23.764 -27.844 1.00 29.44 O ATOM 0 H GLY A 87 13.038 26.446 -25.054 1.00 31.30 H new ATOM 0 HA2 GLY A 87 11.225 25.088 -25.354 1.00 30.42 H new ATOM 0 HA3 GLY A 87 10.720 26.010 -26.756 1.00 30.42 H new ATOM 1267 N VAL A 88 13.484 24.355 -27.193 1.00 30.40 N ATOM 1268 CA VAL A 88 14.146 23.367 -28.043 1.00 30.17 C ATOM 1269 C VAL A 88 14.459 22.089 -27.258 1.00 29.38 C ATOM 1270 O VAL A 88 14.799 22.143 -26.076 1.00 29.40 O ATOM 1271 CB VAL A 88 15.435 23.942 -28.674 1.00 31.05 C ATOM 1272 CG1 VAL A 88 16.131 22.911 -29.548 1.00 30.89 C ATOM 1273 CG2 VAL A 88 15.115 25.189 -29.481 1.00 31.86 C ATOM 0 H VAL A 88 14.118 24.918 -26.626 1.00 30.40 H new ATOM 0 HA VAL A 88 13.458 23.116 -28.850 1.00 30.17 H new ATOM 0 HB VAL A 88 16.115 24.208 -27.865 1.00 31.05 H new ATOM 0 HG11 VAL A 88 17.033 23.347 -29.977 1.00 30.89 H new ATOM 0 HG12 VAL A 88 16.398 22.043 -28.945 1.00 30.89 H new ATOM 0 HG13 VAL A 88 15.461 22.602 -30.350 1.00 30.89 H new ATOM 0 HG21 VAL A 88 16.031 25.584 -29.920 1.00 31.86 H new ATOM 0 HG22 VAL A 88 14.411 24.938 -30.275 1.00 31.86 H new ATOM 0 HG23 VAL A 88 14.672 25.941 -28.828 1.00 31.86 H new ATOM 1283 N ARG A 89 14.326 20.949 -27.923 1.00 28.74 N ATOM 1284 CA ARG A 89 14.526 19.640 -27.302 1.00 27.99 C ATOM 1285 C ARG A 89 15.994 19.212 -27.328 1.00 28.23 C ATOM 1286 O ARG A 89 16.605 19.140 -28.391 1.00 28.54 O ATOM 1287 CB ARG A 89 13.676 18.609 -28.057 1.00 27.21 C ATOM 1288 CG ARG A 89 13.806 17.176 -27.568 1.00 26.48 C ATOM 1289 CD ARG A 89 13.071 16.222 -28.494 1.00 25.83 C ATOM 1290 NE ARG A 89 12.926 14.885 -27.915 1.00 25.29 N ATOM 1291 CZ ARG A 89 12.372 13.854 -28.557 1.00 24.70 C ATOM 1292 NH1 ARG A 89 12.016 13.971 -29.827 1.00 24.55 N ATOM 1293 NH2 ARG A 89 12.204 12.688 -27.937 1.00 24.34 N ATOM 0 H ARG A 89 14.076 20.903 -28.911 1.00 28.74 H new ATOM 0 HA ARG A 89 14.224 19.703 -26.256 1.00 27.99 H new ATOM 0 HB2 ARG A 89 12.629 18.905 -27.988 1.00 27.21 H new ATOM 0 HB3 ARG A 89 13.948 18.641 -29.112 1.00 27.21 H new ATOM 0 HG2 ARG A 89 14.859 16.899 -27.514 1.00 26.48 H new ATOM 0 HG3 ARG A 89 13.403 17.093 -26.559 1.00 26.48 H new ATOM 0 HD2 ARG A 89 12.084 16.627 -28.720 1.00 25.83 H new ATOM 0 HD3 ARG A 89 13.609 16.150 -29.439 1.00 25.83 H new ATOM 0 HE ARG A 89 13.268 14.733 -26.966 1.00 25.29 H new ATOM 0 HH11 ARG A 89 12.165 14.852 -30.319 1.00 24.55 H new ATOM 0 HH12 ARG A 89 11.593 13.180 -30.313 1.00 24.55 H new ATOM 0 HH21 ARG A 89 12.499 12.579 -26.967 1.00 24.34 H new ATOM 0 HH22 ARG A 89 11.780 11.903 -28.432 1.00 24.34 H new ATOM 1307 N TYR A 90 16.552 18.906 -26.160 1.00 28.18 N ATOM 1308 CA TYR A 90 17.912 18.385 -26.096 1.00 28.46 C ATOM 1309 C TYR A 90 17.970 17.177 -25.152 1.00 27.80 C ATOM 1310 O TYR A 90 17.126 17.043 -24.260 1.00 27.31 O ATOM 1311 CB TYR A 90 18.925 19.465 -25.675 1.00 29.43 C ATOM 1312 CG TYR A 90 18.784 20.021 -24.265 1.00 29.57 C ATOM 1313 CD1 TYR A 90 17.827 20.978 -23.959 1.00 29.65 C ATOM 1314 CD2 TYR A 90 19.653 19.625 -23.256 1.00 29.70 C ATOM 1315 CE1 TYR A 90 17.740 21.523 -22.688 1.00 29.86 C ATOM 1316 CE2 TYR A 90 19.566 20.159 -21.983 1.00 29.91 C ATOM 1317 CZ TYR A 90 18.610 21.107 -21.705 1.00 30.05 C ATOM 1318 OH TYR A 90 18.531 21.648 -20.443 1.00 30.27 O ATOM 0 H TYR A 90 16.090 19.008 -25.256 1.00 28.18 H new ATOM 0 HA TYR A 90 18.193 18.063 -27.099 1.00 28.46 H new ATOM 0 HB2 TYR A 90 19.928 19.050 -25.779 1.00 29.43 H new ATOM 0 HB3 TYR A 90 18.849 20.295 -26.377 1.00 29.43 H new ATOM 0 HD1 TYR A 90 17.138 21.304 -24.724 1.00 29.65 H new ATOM 0 HD2 TYR A 90 20.411 18.886 -23.470 1.00 29.70 H new ATOM 0 HE1 TYR A 90 16.993 22.271 -22.469 1.00 29.86 H new ATOM 0 HE2 TYR A 90 20.246 19.832 -21.210 1.00 29.91 H new ATOM 0 HH TYR A 90 19.216 21.244 -19.870 1.00 30.27 H new ATOM 1328 N PHE A 91 18.940 16.281 -25.355 1.00 27.84 N ATOM 1329 CA PHE A 91 19.049 15.092 -24.520 1.00 27.29 C ATOM 1330 C PHE A 91 20.242 15.191 -23.584 1.00 27.91 C ATOM 1331 O PHE A 91 21.306 15.685 -23.960 1.00 28.69 O ATOM 1332 CB PHE A 91 19.156 13.821 -25.367 1.00 26.81 C ATOM 1333 CG PHE A 91 17.869 13.436 -26.061 1.00 26.08 C ATOM 1334 CD1 PHE A 91 16.917 12.608 -25.456 1.00 25.34 C ATOM 1335 CD2 PHE A 91 17.615 13.910 -27.340 1.00 26.22 C ATOM 1336 CE1 PHE A 91 15.752 12.276 -26.123 1.00 24.76 C ATOM 1337 CE2 PHE A 91 16.450 13.578 -28.003 1.00 25.66 C ATOM 1338 CZ PHE A 91 15.477 12.698 -27.279 1.00 24.89 C ATOM 0 H PHE A 91 19.651 16.358 -26.082 1.00 27.84 H new ATOM 0 HA PHE A 91 18.138 15.032 -23.924 1.00 27.29 H new ATOM 0 HB2 PHE A 91 19.934 13.961 -26.117 1.00 26.81 H new ATOM 0 HB3 PHE A 91 19.474 12.997 -24.729 1.00 26.81 H new ATOM 0 HD1 PHE A 91 17.093 12.226 -24.461 1.00 25.34 H new ATOM 0 HD2 PHE A 91 18.339 14.548 -27.824 1.00 26.22 H new ATOM 0 HE1 PHE A 91 15.045 11.625 -25.631 1.00 24.76 H new ATOM 0 HE2 PHE A 91 16.249 13.937 -29.001 1.00 25.66 H new ATOM 0 HZ PHE A 91 14.542 12.426 -27.746 1.00 24.89 H new ATOM 1348 N VAL A 92 20.061 14.708 -22.367 1.00 27.61 N ATOM 1349 CA VAL A 92 21.106 14.766 -21.357 1.00 28.23 C ATOM 1350 C VAL A 92 21.566 13.367 -20.967 1.00 27.94 C ATOM 1351 O VAL A 92 20.760 12.552 -20.515 1.00 27.26 O ATOM 1352 CB VAL A 92 20.614 15.482 -20.080 1.00 28.37 C ATOM 1353 CG1 VAL A 92 21.754 15.661 -19.086 1.00 29.13 C ATOM 1354 CG2 VAL A 92 19.981 16.822 -20.413 1.00 28.67 C ATOM 0 H VAL A 92 19.196 14.269 -22.052 1.00 27.61 H new ATOM 0 HA VAL A 92 21.934 15.323 -21.795 1.00 28.23 H new ATOM 0 HB VAL A 92 19.852 14.854 -19.619 1.00 28.37 H new ATOM 0 HG11 VAL A 92 21.383 16.167 -18.195 1.00 29.13 H new ATOM 0 HG12 VAL A 92 22.152 14.685 -18.809 1.00 29.13 H new ATOM 0 HG13 VAL A 92 22.543 16.259 -19.541 1.00 29.13 H new ATOM 0 HG21 VAL A 92 19.644 17.303 -19.495 1.00 28.67 H new ATOM 0 HG22 VAL A 92 20.715 17.458 -20.908 1.00 28.67 H new ATOM 0 HG23 VAL A 92 19.129 16.667 -21.075 1.00 28.67 H new ATOM 1364 N ASP A 93 22.848 13.083 -21.157 1.00 28.50 N ATOM 1365 CA ASP A 93 23.406 11.804 -20.716 1.00 28.42 C ATOM 1366 C ASP A 93 23.928 11.984 -19.280 1.00 28.86 C ATOM 1367 O ASP A 93 24.847 12.772 -19.051 1.00 29.70 O ATOM 1368 CB ASP A 93 24.530 11.335 -21.663 1.00 29.01 C ATOM 1369 CG ASP A 93 25.182 10.047 -21.208 1.00 28.68 C ATOM 1370 OD1 ASP A 93 25.756 10.020 -20.102 1.00 28.33 O ATOM 1371 OD2 ASP A 93 25.133 9.058 -21.964 1.00 28.82 O ATOM 0 H ASP A 93 23.516 13.709 -21.607 1.00 28.50 H new ATOM 0 HA ASP A 93 22.636 11.033 -20.736 1.00 28.42 H new ATOM 0 HB2 ASP A 93 24.121 11.196 -22.664 1.00 29.01 H new ATOM 0 HB3 ASP A 93 25.288 12.115 -21.734 1.00 29.01 H new ATOM 1376 N HIS A 94 23.329 11.290 -18.306 1.00 28.36 N ATOM 1377 CA HIS A 94 23.695 11.478 -16.896 1.00 28.81 C ATOM 1378 C HIS A 94 24.968 10.734 -16.510 1.00 29.31 C ATOM 1379 O HIS A 94 25.455 10.879 -15.390 1.00 29.90 O ATOM 1380 CB HIS A 94 22.561 11.039 -15.956 1.00 28.18 C ATOM 1381 CG HIS A 94 21.498 12.076 -15.757 1.00 28.49 C ATOM 1382 ND1 HIS A 94 21.485 12.927 -14.677 1.00 28.32 N ATOM 1383 CD2 HIS A 94 20.405 12.393 -16.495 1.00 29.05 C ATOM 1384 CE1 HIS A 94 20.437 13.720 -14.753 1.00 28.75 C ATOM 1385 NE2 HIS A 94 19.763 13.420 -15.846 1.00 29.20 N ATOM 0 H HIS A 94 22.595 10.599 -18.465 1.00 28.36 H new ATOM 0 HA HIS A 94 23.875 12.547 -16.783 1.00 28.81 H new ATOM 0 HB2 HIS A 94 22.102 10.135 -16.355 1.00 28.18 H new ATOM 0 HB3 HIS A 94 22.987 10.779 -14.987 1.00 28.18 H new ATOM 0 HD2 HIS A 94 20.097 11.926 -17.419 1.00 29.05 H new ATOM 0 HE1 HIS A 94 20.174 14.487 -14.040 1.00 28.75 H new ATOM 0 HE2 HIS A 94 18.906 13.876 -16.158 1.00 29.20 H new ATOM 1394 N ASN A 95 25.510 9.945 -17.414 1.00 29.17 N ATOM 1395 CA ASN A 95 26.704 9.175 -17.103 1.00 29.71 C ATOM 1396 C ASN A 95 27.977 9.939 -17.492 1.00 30.73 C ATOM 1397 O ASN A 95 28.992 9.847 -16.801 1.00 31.42 O ATOM 1398 CB ASN A 95 26.627 7.783 -17.778 1.00 29.28 C ATOM 1399 CG ASN A 95 27.698 7.546 -18.829 1.00 29.19 C ATOM 1400 OD1 ASN A 95 28.775 7.036 -18.534 1.00 29.80 O ATOM 1401 ND2 ASN A 95 27.407 7.920 -20.061 1.00 28.49 N ATOM 0 H ASN A 95 25.151 9.818 -18.360 1.00 29.17 H new ATOM 0 HA ASN A 95 26.753 9.022 -16.025 1.00 29.71 H new ATOM 0 HB2 ASN A 95 26.709 7.013 -17.011 1.00 29.28 H new ATOM 0 HB3 ASN A 95 25.647 7.669 -18.241 1.00 29.28 H new ATOM 0 HD21 ASN A 95 28.089 7.789 -20.808 1.00 28.49 H new ATOM 0 HD22 ASN A 95 26.500 8.340 -20.266 1.00 28.49 H new ATOM 1408 N THR A 96 27.927 10.709 -18.576 1.00 30.87 N ATOM 1409 CA THR A 96 29.074 11.496 -18.997 1.00 31.86 C ATOM 1410 C THR A 96 28.836 12.991 -18.743 1.00 32.23 C ATOM 1411 O THR A 96 29.743 13.809 -18.912 1.00 33.14 O ATOM 1412 CB THR A 96 29.405 11.244 -20.486 1.00 31.96 C ATOM 1413 OG1 THR A 96 28.242 11.459 -21.290 1.00 31.19 O ATOM 1414 CG2 THR A 96 29.885 9.819 -20.702 1.00 32.02 C ATOM 0 H THR A 96 27.106 10.802 -19.174 1.00 30.87 H new ATOM 0 HA THR A 96 29.930 11.180 -18.401 1.00 31.86 H new ATOM 0 HB THR A 96 30.195 11.938 -20.773 1.00 31.96 H new ATOM 0 HG1 THR A 96 28.461 11.299 -22.232 1.00 31.19 H new ATOM 0 HG21 THR A 96 30.111 9.667 -21.757 1.00 32.02 H new ATOM 0 HG22 THR A 96 30.783 9.644 -20.110 1.00 32.02 H new ATOM 0 HG23 THR A 96 29.106 9.122 -20.394 1.00 32.02 H new ATOM 1422 N ARG A 97 27.598 13.333 -18.352 1.00 31.56 N ATOM 1423 CA ARG A 97 27.215 14.723 -18.012 1.00 31.87 C ATOM 1424 C ARG A 97 27.358 15.641 -19.213 1.00 32.27 C ATOM 1425 O ARG A 97 27.565 16.851 -19.102 1.00 33.03 O ATOM 1426 CB ARG A 97 28.038 15.234 -16.841 1.00 32.70 C ATOM 1427 CG ARG A 97 27.848 14.387 -15.604 1.00 32.43 C ATOM 1428 CD ARG A 97 28.589 14.964 -14.409 1.00 33.36 C ATOM 1429 NE ARG A 97 28.246 16.370 -14.182 1.00 33.97 N ATOM 1430 CZ ARG A 97 27.882 16.871 -13.000 1.00 34.73 C ATOM 1431 NH1 ARG A 97 27.767 16.081 -11.940 1.00 35.00 N ATOM 1432 NH2 ARG A 97 27.622 18.167 -12.877 1.00 35.29 N ATOM 0 H ARG A 97 26.835 12.662 -18.261 1.00 31.56 H new ATOM 0 HA ARG A 97 26.165 14.720 -17.719 1.00 31.87 H new ATOM 0 HB2 ARG A 97 29.093 15.243 -17.116 1.00 32.70 H new ATOM 0 HB3 ARG A 97 27.757 16.264 -16.622 1.00 32.70 H new ATOM 0 HG2 ARG A 97 26.785 14.314 -15.373 1.00 32.43 H new ATOM 0 HG3 ARG A 97 28.202 13.375 -15.798 1.00 32.43 H new ATOM 0 HD2 ARG A 97 28.350 14.383 -13.518 1.00 33.36 H new ATOM 0 HD3 ARG A 97 29.663 14.873 -14.569 1.00 33.36 H new ATOM 0 HE ARG A 97 28.288 17.006 -14.978 1.00 33.97 H new ATOM 0 HH11 ARG A 97 27.957 15.083 -12.025 1.00 35.00 H new ATOM 0 HH12 ARG A 97 27.488 16.472 -11.040 1.00 35.00 H new ATOM 0 HH21 ARG A 97 27.700 18.782 -13.687 1.00 35.29 H new ATOM 0 HH22 ARG A 97 27.344 18.548 -11.973 1.00 35.29 H new ATOM 1446 N THR A 98 27.166 15.040 -20.347 1.00 31.75 N ATOM 1447 CA THR A 98 27.231 15.728 -21.628 1.00 32.09 C ATOM 1448 C THR A 98 25.826 15.960 -22.192 1.00 31.35 C ATOM 1449 O THR A 98 24.897 15.213 -21.871 1.00 30.48 O ATOM 1450 CB THR A 98 28.030 14.895 -22.647 1.00 32.35 C ATOM 1451 OG1 THR A 98 27.603 13.533 -22.585 1.00 32.15 O ATOM 1452 CG2 THR A 98 29.531 14.980 -22.384 1.00 32.59 C ATOM 0 H THR A 98 26.956 14.045 -20.425 1.00 31.75 H new ATOM 0 HA THR A 98 27.723 16.686 -21.461 1.00 32.09 H new ATOM 0 HB THR A 98 27.842 15.299 -23.642 1.00 32.35 H new ATOM 0 HG1 THR A 98 28.120 13.059 -21.900 1.00 32.15 H new ATOM 0 HG21 THR A 98 30.064 14.380 -23.122 1.00 32.59 H new ATOM 0 HG22 THR A 98 29.855 16.018 -22.457 1.00 32.59 H new ATOM 0 HG23 THR A 98 29.747 14.602 -21.385 1.00 32.59 H new ATOM 1460 N THR A 99 25.676 16.961 -23.059 1.00 31.74 N ATOM 1461 CA THR A 99 24.387 17.244 -23.683 1.00 31.18 C ATOM 1462 C THR A 99 24.449 16.947 -25.188 1.00 31.15 C ATOM 1463 O THR A 99 25.075 17.689 -25.940 1.00 31.92 O ATOM 1464 CB THR A 99 23.989 18.725 -23.464 1.00 31.73 C ATOM 1465 OG1 THR A 99 25.141 19.568 -23.642 1.00 32.77 O ATOM 1466 CG2 THR A 99 23.420 18.947 -22.055 1.00 31.59 C ATOM 0 H THR A 99 26.429 17.587 -23.344 1.00 31.74 H new ATOM 0 HA THR A 99 23.636 16.604 -23.220 1.00 31.18 H new ATOM 0 HB THR A 99 23.220 18.977 -24.194 1.00 31.73 H new ATOM 0 HG1 THR A 99 25.600 19.324 -24.473 1.00 32.77 H new ATOM 0 HG21 THR A 99 23.150 19.996 -21.933 1.00 31.59 H new ATOM 0 HG22 THR A 99 22.535 18.326 -21.918 1.00 31.59 H new ATOM 0 HG23 THR A 99 24.171 18.677 -21.313 1.00 31.59 H new ATOM 1474 N THR A 100 23.863 15.829 -25.623 1.00 30.32 N ATOM 1475 CA THR A 100 23.897 15.469 -27.031 1.00 30.31 C ATOM 1476 C THR A 100 22.619 15.932 -27.724 1.00 29.79 C ATOM 1477 O THR A 100 21.551 16.001 -27.109 1.00 29.19 O ATOM 1478 CB THR A 100 24.103 13.944 -27.253 1.00 29.94 C ATOM 1479 OG1 THR A 100 24.561 13.699 -28.592 1.00 30.23 O ATOM 1480 CG2 THR A 100 22.823 13.143 -27.018 1.00 28.90 C ATOM 0 H THR A 100 23.367 15.169 -25.025 1.00 30.32 H new ATOM 0 HA THR A 100 24.757 15.976 -27.469 1.00 30.31 H new ATOM 0 HB THR A 100 24.847 13.617 -26.527 1.00 29.94 H new ATOM 0 HG1 THR A 100 24.690 12.736 -28.723 1.00 30.23 H new ATOM 0 HG21 THR A 100 23.020 12.084 -27.186 1.00 28.90 H new ATOM 0 HG22 THR A 100 22.484 13.291 -25.993 1.00 28.90 H new ATOM 0 HG23 THR A 100 22.050 13.482 -27.708 1.00 28.90 H new ATOM 1488 N PHE A 101 22.741 16.305 -28.989 1.00 30.11 N ATOM 1489 CA PHE A 101 21.602 16.779 -29.753 1.00 29.74 C ATOM 1490 C PHE A 101 21.312 15.819 -30.894 1.00 29.28 C ATOM 1491 O PHE A 101 22.074 15.745 -31.860 1.00 29.75 O ATOM 1492 CB PHE A 101 21.861 18.177 -30.317 1.00 30.55 C ATOM 1493 CG PHE A 101 20.589 18.926 -30.593 1.00 30.86 C ATOM 1494 CD1 PHE A 101 19.762 18.572 -31.652 1.00 30.67 C ATOM 1495 CD2 PHE A 101 20.204 19.967 -29.770 1.00 31.41 C ATOM 1496 CE1 PHE A 101 18.575 19.244 -31.875 1.00 31.03 C ATOM 1497 CE2 PHE A 101 19.023 20.645 -29.990 1.00 31.76 C ATOM 1498 CZ PHE A 101 18.205 20.282 -31.041 1.00 31.57 C ATOM 0 H PHE A 101 23.620 16.288 -29.507 1.00 30.11 H new ATOM 0 HA PHE A 101 20.742 16.829 -29.085 1.00 29.74 H new ATOM 0 HB2 PHE A 101 22.468 18.744 -29.611 1.00 30.55 H new ATOM 0 HB3 PHE A 101 22.438 18.093 -31.238 1.00 30.55 H new ATOM 0 HD1 PHE A 101 20.050 17.763 -32.308 1.00 30.67 H new ATOM 0 HD2 PHE A 101 20.837 20.254 -28.943 1.00 31.41 H new ATOM 0 HE1 PHE A 101 17.938 18.959 -32.699 1.00 31.03 H new ATOM 0 HE2 PHE A 101 18.738 21.459 -29.340 1.00 31.76 H new ATOM 0 HZ PHE A 101 17.277 20.808 -31.211 1.00 31.57 H new ATOM 1508 N LYS A 102 20.238 15.059 -30.766 1.00 28.42 N ATOM 1509 CA LYS A 102 19.855 14.115 -31.801 1.00 27.96 C ATOM 1510 C LYS A 102 18.373 14.234 -32.110 1.00 27.32 C ATOM 1511 O LYS A 102 17.530 13.743 -31.358 1.00 26.80 O ATOM 1512 CB LYS A 102 20.175 12.679 -31.377 1.00 27.61 C ATOM 1513 CG LYS A 102 20.137 11.695 -32.534 1.00 27.94 C ATOM 1514 CD LYS A 102 20.166 10.254 -32.055 1.00 27.68 C ATOM 1515 CE LYS A 102 18.852 9.850 -31.407 1.00 27.51 C ATOM 1516 NZ LYS A 102 18.810 8.394 -31.109 1.00 27.73 N ATOM 0 H LYS A 102 19.617 15.077 -29.957 1.00 28.42 H new ATOM 0 HA LYS A 102 20.428 14.354 -32.697 1.00 27.96 H new ATOM 0 HB2 LYS A 102 21.163 12.653 -30.918 1.00 27.61 H new ATOM 0 HB3 LYS A 102 19.462 12.364 -30.616 1.00 27.61 H new ATOM 0 HG2 LYS A 102 19.236 11.863 -33.124 1.00 27.94 H new ATOM 0 HG3 LYS A 102 20.987 11.876 -33.192 1.00 27.94 H new ATOM 0 HD2 LYS A 102 20.374 9.595 -32.898 1.00 27.68 H new ATOM 0 HD3 LYS A 102 20.979 10.124 -31.341 1.00 27.68 H new ATOM 0 HE2 LYS A 102 18.712 10.414 -30.485 1.00 27.51 H new ATOM 0 HE3 LYS A 102 18.025 10.110 -32.068 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 17.899 8.156 -30.668 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 18.918 7.856 -31.992 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 19.584 8.150 -30.458 1.00 27.73 H new ATOM 1530 N ASP A 103 18.063 14.932 -33.185 1.00 27.47 N ATOM 1531 CA ASP A 103 16.689 15.072 -33.634 1.00 26.99 C ATOM 1532 C ASP A 103 16.553 14.429 -35.007 1.00 26.66 C ATOM 1533 O ASP A 103 17.414 14.611 -35.866 1.00 27.04 O ATOM 1534 CB ASP A 103 16.278 16.546 -33.705 1.00 27.47 C ATOM 1535 CG ASP A 103 14.788 16.716 -33.955 1.00 27.51 C ATOM 1536 OD1 ASP A 103 14.348 16.611 -35.119 1.00 27.33 O ATOM 1537 OD2 ASP A 103 14.046 16.956 -32.981 1.00 27.82 O ATOM 0 H ASP A 103 18.748 15.414 -33.768 1.00 27.47 H new ATOM 0 HA ASP A 103 16.031 14.577 -32.920 1.00 26.99 H new ATOM 0 HB2 ASP A 103 16.547 17.042 -32.772 1.00 27.47 H new ATOM 0 HB3 ASP A 103 16.837 17.039 -34.501 1.00 27.47 H new ATOM 1542 N PRO A 104 15.490 13.644 -35.224 1.00 26.03 N ATOM 1543 CA PRO A 104 15.262 12.940 -36.495 1.00 25.74 C ATOM 1544 C PRO A 104 15.117 13.879 -37.702 1.00 26.01 C ATOM 1545 O PRO A 104 15.260 13.445 -38.848 1.00 25.99 O ATOM 1546 CB PRO A 104 13.947 12.175 -36.257 1.00 25.14 C ATOM 1547 CG PRO A 104 13.306 12.861 -35.098 1.00 25.07 C ATOM 1548 CD PRO A 104 14.434 13.351 -34.243 1.00 25.65 C ATOM 0 HA PRO A 104 16.112 12.305 -36.745 1.00 25.74 H new ATOM 0 HB2 PRO A 104 13.306 12.207 -37.138 1.00 25.14 H new ATOM 0 HB3 PRO A 104 14.136 11.124 -36.039 1.00 25.14 H new ATOM 0 HG2 PRO A 104 12.679 13.688 -35.431 1.00 25.07 H new ATOM 0 HG3 PRO A 104 12.664 12.176 -34.544 1.00 25.07 H new ATOM 0 HD2 PRO A 104 14.154 14.238 -33.675 1.00 25.65 H new ATOM 0 HD3 PRO A 104 14.751 12.597 -33.522 1.00 25.65 H new ATOM 1556 N ARG A 105 14.821 15.150 -37.458 1.00 26.35 N ATOM 1557 CA ARG A 105 14.688 16.107 -38.547 1.00 26.73 C ATOM 1558 C ARG A 105 15.898 17.044 -38.551 1.00 27.46 C ATOM 1559 O ARG A 105 16.054 17.849 -37.632 1.00 27.80 O ATOM 1560 CB ARG A 105 13.391 16.926 -38.430 1.00 26.76 C ATOM 1561 CG ARG A 105 12.104 16.096 -38.478 1.00 26.26 C ATOM 1562 CD ARG A 105 11.871 15.323 -37.185 1.00 25.68 C ATOM 1563 NE ARG A 105 10.750 14.392 -37.277 1.00 25.63 N ATOM 1564 CZ ARG A 105 9.869 14.209 -36.295 1.00 25.39 C ATOM 1565 NH1 ARG A 105 9.940 14.952 -35.195 1.00 25.18 N ATOM 1566 NH2 ARG A 105 8.912 13.298 -36.411 1.00 25.45 N ATOM 0 H ARG A 105 14.670 15.538 -36.527 1.00 26.35 H new ATOM 0 HA ARG A 105 14.644 15.551 -39.484 1.00 26.73 H new ATOM 0 HB2 ARG A 105 13.413 17.484 -37.494 1.00 26.76 H new ATOM 0 HB3 ARG A 105 13.365 17.658 -39.237 1.00 26.76 H new ATOM 0 HG2 ARG A 105 11.255 16.754 -38.664 1.00 26.26 H new ATOM 0 HG3 ARG A 105 12.155 15.397 -39.313 1.00 26.26 H new ATOM 0 HD2 ARG A 105 12.776 14.771 -36.929 1.00 25.68 H new ATOM 0 HD3 ARG A 105 11.687 16.028 -36.374 1.00 25.68 H new ATOM 0 HE ARG A 105 10.636 13.855 -38.137 1.00 25.63 H new ATOM 0 HH11 ARG A 105 10.668 15.661 -35.104 1.00 25.18 H new ATOM 0 HH12 ARG A 105 9.266 14.814 -34.442 1.00 25.18 H new ATOM 0 HH21 ARG A 105 8.847 12.732 -37.257 1.00 25.45 H new ATOM 0 HH22 ARG A 105 8.241 13.164 -35.654 1.00 25.45 H new ATOM 1580 N PRO A 106 16.765 16.979 -39.581 1.00 27.81 N ATOM 1581 CA PRO A 106 17.978 17.794 -39.613 1.00 28.58 C ATOM 1582 C PRO A 106 17.669 19.272 -39.822 1.00 29.15 C ATOM 1583 O PRO A 106 16.912 19.642 -40.727 1.00 29.20 O ATOM 1584 CB PRO A 106 18.768 17.226 -40.794 1.00 28.76 C ATOM 1585 CG PRO A 106 17.737 16.642 -41.697 1.00 28.29 C ATOM 1586 CD PRO A 106 16.598 16.188 -40.820 1.00 27.58 C ATOM 0 HA PRO A 106 18.526 17.751 -38.672 1.00 28.58 H new ATOM 0 HB2 PRO A 106 19.340 18.005 -41.298 1.00 28.76 H new ATOM 0 HB3 PRO A 106 19.481 16.469 -40.466 1.00 28.76 H new ATOM 0 HG2 PRO A 106 17.396 17.380 -42.423 1.00 28.29 H new ATOM 0 HG3 PRO A 106 18.147 15.805 -42.262 1.00 28.29 H new ATOM 0 HD2 PRO A 106 15.633 16.379 -41.289 1.00 27.58 H new ATOM 0 HD3 PRO A 106 16.650 15.118 -40.621 1.00 27.58 H new ATOM 1594 N GLY A 107 18.232 20.114 -38.965 1.00 29.63 N ATOM 1595 CA GLY A 107 18.008 21.541 -39.068 1.00 30.26 C ATOM 1596 C GLY A 107 16.726 22.001 -38.387 1.00 30.07 C ATOM 1597 O GLY A 107 16.628 23.170 -38.020 1.00 30.61 O ATOM 0 H GLY A 107 18.842 19.832 -38.198 1.00 29.63 H new ATOM 0 HA2 GLY A 107 18.854 22.067 -38.627 1.00 30.26 H new ATOM 0 HA3 GLY A 107 17.972 21.821 -40.121 1.00 30.26 H new ATOM 1601 N PHE A 108 15.755 21.081 -38.206 1.00 29.36 N ATOM 1602 CA PHE A 108 14.438 21.389 -37.585 1.00 29.20 C ATOM 1603 C PHE A 108 13.894 22.753 -38.033 1.00 29.85 C ATOM 1604 O PHE A 108 13.216 23.446 -37.274 1.00 30.10 O ATOM 1605 CB PHE A 108 14.491 21.286 -36.033 1.00 29.02 C ATOM 1606 CG PHE A 108 15.657 21.989 -35.373 1.00 28.90 C ATOM 1607 CD1 PHE A 108 16.855 21.320 -35.138 1.00 29.07 C ATOM 1608 CD2 PHE A 108 15.550 23.311 -34.970 1.00 28.70 C ATOM 1609 CE1 PHE A 108 17.918 21.966 -34.532 1.00 29.04 C ATOM 1610 CE2 PHE A 108 16.610 23.959 -34.363 1.00 28.68 C ATOM 1611 CZ PHE A 108 17.795 23.283 -34.141 1.00 28.85 C ATOM 0 H PHE A 108 15.856 20.105 -38.484 1.00 29.36 H new ATOM 0 HA PHE A 108 13.741 20.630 -37.941 1.00 29.20 H new ATOM 0 HB2 PHE A 108 13.566 21.695 -35.627 1.00 29.02 H new ATOM 0 HB3 PHE A 108 14.521 20.232 -35.757 1.00 29.02 H new ATOM 0 HD1 PHE A 108 16.956 20.286 -35.432 1.00 29.07 H new ATOM 0 HD2 PHE A 108 14.624 23.843 -35.133 1.00 28.70 H new ATOM 0 HE1 PHE A 108 18.845 21.438 -34.365 1.00 29.04 H new ATOM 0 HE2 PHE A 108 16.512 24.992 -34.063 1.00 28.68 H new ATOM 0 HZ PHE A 108 18.623 23.785 -33.662 1.00 28.85 H new ATOM 1621 N GLU A 109 14.056 23.041 -39.319 1.00 30.16 N ATOM 1622 CA GLU A 109 13.599 24.295 -39.898 1.00 30.84 C ATOM 1623 C GLU A 109 12.931 24.007 -41.234 1.00 31.39 C ATOM 1624 O GLU A 109 11.701 23.779 -41.243 1.00 31.70 O ATOM 1625 CB GLU A 109 14.773 25.279 -40.068 1.00 30.99 C ATOM 1626 CG GLU A 109 14.361 26.678 -40.518 1.00 31.54 C ATOM 1627 CD GLU A 109 13.472 27.386 -39.515 1.00 31.75 C ATOM 1628 OE1 GLU A 109 12.278 27.598 -39.815 1.00 32.01 O ATOM 1629 OE2 GLU A 109 13.957 27.720 -38.416 1.00 31.74 O ATOM 1630 OXT GLU A 109 13.639 23.963 -42.262 1.00 31.58 O ATOM 0 H GLU A 109 14.506 22.414 -39.986 1.00 30.16 H new ATOM 0 HA GLU A 109 12.877 24.763 -39.229 1.00 30.84 H new ATOM 0 HB2 GLU A 109 15.306 25.357 -39.120 1.00 30.99 H new ATOM 0 HB3 GLU A 109 15.474 24.868 -40.795 1.00 30.99 H new ATOM 0 HG2 GLU A 109 15.256 27.277 -40.688 1.00 31.54 H new ATOM 0 HG3 GLU A 109 13.838 26.607 -41.472 1.00 31.54 H new TER 1637 GLU A 109