USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 THR OG1 : rot 102:sc= 1.23 USER MOD Set 1.2: A 98 THR OG1 : rot 174:sc= 1.01 USER MOD Set 2.1: A 81 MET CE :methyl -142:sc= -0.39 (180deg=-1.82!) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -112:sc= 0.759 (180deg=-0.643) USER MOD Set 3.2: A 52 THR OG1 : rot -70:sc= 0.788 USER MOD Set 3.3: A 54 THR OG1 : rot 29:sc= -0.771 USER MOD Set 4.1: A 6 TYR OH : rot 180:sc= 1 USER MOD Set 4.2: A 48 TYR OH : rot 15:sc= 0.521 USER MOD Set 4.3: A 53 LYS NZ :NH3+ 173:sc= 1.92 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0354 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.702 K(o=0.7,f=-5.7!) USER MOD Single : A 4 MET CE :methyl 169:sc= -0.646 (180deg=-1.02) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0389 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 55:sc= -0.07 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.063) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0.101 X(o=0.1,f=-0.22) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00621 X(o=-0.0062,f=-0.27) USER MOD Single : A 40 ASN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 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 -80:sc= 1.2 USER MOD Single : A 67 GLN : amide:sc= 0.00905 K(o=0.0091,f=-3.6!) USER MOD Single : A 69 MET CE :methyl 143:sc= -0.125 (180deg=-0.643) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 168:sc= -0.421 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0097 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= 0.835 K(o=0.84,f=-5.2!) USER MOD Single : A 95 ASN : amide:sc= -0.487 K(o=-0.49,f=-3!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0219 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 -39.679 3.911 -4.729 1.00 4.75 N ATOM 2 CA GLY A 1 -40.457 4.293 -3.527 1.00 3.82 C ATOM 3 C GLY A 1 -39.850 5.473 -2.806 1.00 2.64 C ATOM 4 O GLY A 1 -39.196 6.316 -3.425 1.00 2.97 O ATOM 0 H1 GLY A 1 -40.331 3.676 -5.504 1.00 4.75 H new ATOM 0 H2 GLY A 1 -39.072 4.705 -5.016 1.00 4.75 H new ATOM 0 H3 GLY A 1 -39.087 3.084 -4.511 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -41.479 4.534 -3.819 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -40.512 3.443 -2.847 1.00 3.82 H new ATOM 10 N SER A 2 -40.054 5.524 -1.495 1.00 1.83 N ATOM 11 CA SER A 2 -39.539 6.610 -0.674 1.00 1.07 C ATOM 12 C SER A 2 -38.045 6.444 -0.430 1.00 0.80 C ATOM 13 O SER A 2 -37.345 7.398 -0.103 1.00 0.96 O ATOM 14 CB SER A 2 -40.285 6.640 0.659 1.00 1.95 C ATOM 15 OG SER A 2 -41.687 6.561 0.456 1.00 2.45 O ATOM 0 H SER A 2 -40.577 4.819 -0.976 1.00 1.83 H new ATOM 0 HA SER A 2 -39.695 7.551 -1.202 1.00 1.07 H new ATOM 0 HB2 SER A 2 -39.956 5.809 1.283 1.00 1.95 H new ATOM 0 HB3 SER A 2 -40.042 7.557 1.196 1.00 1.95 H new ATOM 0 HG SER A 2 -42.145 6.580 1.322 1.00 2.45 H new ATOM 21 N HIS A 3 -37.564 5.217 -0.553 1.00 0.62 N ATOM 22 CA HIS A 3 -36.152 4.931 -0.344 1.00 0.44 C ATOM 23 C HIS A 3 -35.406 5.013 -1.676 1.00 0.40 C ATOM 24 O HIS A 3 -36.018 4.878 -2.737 1.00 0.53 O ATOM 25 CB HIS A 3 -35.959 3.536 0.270 1.00 0.55 C ATOM 26 CG HIS A 3 -36.721 3.304 1.545 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.123 2.054 1.959 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.153 4.164 2.497 1.00 1.91 C ATOM 29 CE1 HIS A 3 -37.770 2.156 3.104 1.00 2.22 C ATOM 30 NE2 HIS A 3 -37.804 3.426 3.453 1.00 2.50 N ATOM 0 H HIS A 3 -38.129 4.403 -0.796 1.00 0.62 H new ATOM 0 HA HIS A 3 -35.751 5.671 0.348 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -36.262 2.786 -0.461 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -34.897 3.382 0.463 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -36.948 1.183 1.458 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -37.011 5.235 2.503 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -38.199 1.337 3.661 1.00 2.22 H new ATOM 39 N MET A 4 -34.095 5.238 -1.634 1.00 0.38 N ATOM 40 CA MET A 4 -33.299 5.300 -2.856 1.00 0.41 C ATOM 41 C MET A 4 -32.324 4.130 -2.884 1.00 0.37 C ATOM 42 O MET A 4 -31.753 3.768 -1.851 1.00 0.43 O ATOM 43 CB MET A 4 -32.528 6.627 -2.974 1.00 0.54 C ATOM 44 CG MET A 4 -33.410 7.863 -2.935 1.00 1.29 C ATOM 45 SD MET A 4 -32.514 9.367 -3.374 1.00 1.92 S ATOM 46 CE MET A 4 -32.133 9.030 -5.094 1.00 2.06 C ATOM 0 H MET A 4 -33.565 5.379 -0.774 1.00 0.38 H new ATOM 0 HA MET A 4 -33.980 5.241 -3.705 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.802 6.686 -2.163 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.964 6.625 -3.907 1.00 0.54 H new ATOM 0 HG2 MET A 4 -34.247 7.730 -3.620 1.00 1.29 H new ATOM 0 HG3 MET A 4 -33.831 7.973 -1.936 1.00 1.29 H new ATOM 0 HE1 MET A 4 -31.755 9.936 -5.567 1.00 2.06 H new ATOM 0 HE2 MET A 4 -31.377 8.247 -5.153 1.00 2.06 H new ATOM 0 HE3 MET A 4 -33.036 8.702 -5.609 1.00 2.06 H new ATOM 56 N GLN A 5 -32.187 3.498 -4.040 1.00 0.34 N ATOM 57 CA GLN A 5 -31.279 2.367 -4.181 1.00 0.33 C ATOM 58 C GLN A 5 -29.819 2.819 -4.156 1.00 0.29 C ATOM 59 O GLN A 5 -29.375 3.587 -5.011 1.00 0.49 O ATOM 60 CB GLN A 5 -31.575 1.609 -5.477 1.00 0.44 C ATOM 61 CG GLN A 5 -30.573 0.510 -5.794 1.00 0.53 C ATOM 62 CD GLN A 5 -30.972 -0.293 -7.013 1.00 1.07 C ATOM 63 OE1 GLN A 5 -31.655 -1.311 -6.899 1.00 1.90 O ATOM 64 NE2 GLN A 5 -30.570 0.166 -8.187 1.00 1.53 N ATOM 0 H GLN A 5 -32.690 3.747 -4.892 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.439 1.701 -3.333 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.571 1.170 -5.410 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.594 2.318 -6.304 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.591 0.953 -5.958 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.483 -0.156 -4.936 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -30.005 1.014 -8.237 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -30.825 -0.328 -9.042 1.00 1.53 H new ATOM 73 N TYR A 6 -29.084 2.344 -3.162 1.00 0.20 N ATOM 74 CA TYR A 6 -27.662 2.638 -3.052 1.00 0.21 C ATOM 75 C TYR A 6 -26.887 1.341 -3.249 1.00 0.23 C ATOM 76 O TYR A 6 -27.287 0.287 -2.740 1.00 0.30 O ATOM 77 CB TYR A 6 -27.305 3.273 -1.683 1.00 0.28 C ATOM 78 CG TYR A 6 -27.676 4.738 -1.567 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.746 5.741 -1.831 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.957 5.119 -1.198 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.092 7.076 -1.731 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.306 6.451 -1.095 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.371 7.425 -1.363 1.00 0.43 C ATOM 84 OH TYR A 6 -28.716 8.756 -1.274 1.00 0.53 O ATOM 0 H TYR A 6 -29.450 1.751 -2.417 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.393 3.365 -3.818 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.811 2.717 -0.893 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.234 3.166 -1.513 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.740 5.472 -2.118 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.696 4.360 -0.987 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.361 7.842 -1.941 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.309 6.728 -0.805 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.655 8.833 -1.004 1.00 0.53 H new ATOM 94 N LYS A 7 -25.815 1.394 -4.019 1.00 0.26 N ATOM 95 CA LYS A 7 -25.040 0.198 -4.296 1.00 0.30 C ATOM 96 C LYS A 7 -23.617 0.314 -3.780 1.00 0.23 C ATOM 97 O LYS A 7 -23.077 1.414 -3.635 1.00 0.31 O ATOM 98 CB LYS A 7 -25.065 -0.130 -5.799 1.00 0.50 C ATOM 99 CG LYS A 7 -24.952 1.091 -6.692 1.00 0.98 C ATOM 100 CD LYS A 7 -25.293 0.757 -8.140 1.00 1.30 C ATOM 101 CE LYS A 7 -24.295 -0.215 -8.748 1.00 1.94 C ATOM 102 NZ LYS A 7 -22.968 0.412 -8.993 1.00 2.57 N ATOM 0 H LYS A 7 -25.464 2.244 -4.460 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.506 -0.628 -3.759 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.246 -0.812 -6.026 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.991 -0.655 -6.032 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.622 1.871 -6.330 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.939 1.490 -6.638 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -26.293 0.327 -8.187 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -25.312 1.674 -8.729 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -24.173 -1.069 -8.082 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -24.692 -0.598 -9.688 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -22.802 0.485 -10.017 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -22.950 1.362 -8.571 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -22.223 -0.172 -8.562 1.00 2.57 H new ATOM 116 N LEU A 8 -23.035 -0.834 -3.478 1.00 0.22 N ATOM 117 CA LEU A 8 -21.682 -0.900 -2.931 1.00 0.20 C ATOM 118 C LEU A 8 -20.824 -1.841 -3.759 1.00 0.17 C ATOM 119 O LEU A 8 -21.318 -2.830 -4.306 1.00 0.25 O ATOM 120 CB LEU A 8 -21.699 -1.387 -1.470 1.00 0.28 C ATOM 121 CG LEU A 8 -20.363 -1.331 -0.722 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.949 0.108 -0.426 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.479 -2.132 0.556 1.00 0.33 C ATOM 0 H LEU A 8 -23.480 -1.743 -3.602 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.262 0.105 -2.964 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.426 -0.790 -0.919 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.056 -2.417 -1.456 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.586 -1.763 -1.353 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.997 0.111 0.105 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.844 0.656 -1.362 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.710 0.586 0.191 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.532 -2.097 1.094 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.267 -1.710 1.180 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.722 -3.167 0.316 1.00 0.33 H new ATOM 135 N ILE A 9 -19.548 -1.514 -3.863 1.00 0.15 N ATOM 136 CA ILE A 9 -18.589 -2.344 -4.571 1.00 0.14 C ATOM 137 C ILE A 9 -17.403 -2.624 -3.657 1.00 0.13 C ATOM 138 O ILE A 9 -16.740 -1.694 -3.191 1.00 0.17 O ATOM 139 CB ILE A 9 -18.096 -1.666 -5.878 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.264 -1.440 -6.859 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.016 -2.517 -6.535 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.864 -0.653 -8.094 1.00 0.62 C ATOM 0 H ILE A 9 -19.148 -0.667 -3.460 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.082 -3.276 -4.849 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.676 -0.694 -5.620 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.664 -2.406 -7.166 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -20.066 -0.912 -6.343 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.678 -2.032 -7.451 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.175 -2.629 -5.851 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.422 -3.500 -6.774 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.731 -0.529 -8.743 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.491 0.327 -7.796 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.083 -1.191 -8.631 1.00 0.62 H new ATOM 154 N LEU A 10 -17.168 -3.892 -3.353 1.00 0.12 N ATOM 155 CA LEU A 10 -16.059 -4.247 -2.483 1.00 0.13 C ATOM 156 C LEU A 10 -14.832 -4.529 -3.320 1.00 0.15 C ATOM 157 O LEU A 10 -14.779 -5.519 -4.047 1.00 0.25 O ATOM 158 CB LEU A 10 -16.352 -5.465 -1.586 1.00 0.14 C ATOM 159 CG LEU A 10 -17.552 -5.378 -0.625 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.697 -4.005 -0.007 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.847 -5.804 -1.305 1.00 0.19 C ATOM 0 H LEU A 10 -17.721 -4.680 -3.690 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.895 -3.396 -1.821 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.504 -6.329 -2.233 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.461 -5.665 -0.991 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.348 -6.078 0.185 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.557 -3.996 0.662 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.796 -3.763 0.557 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.842 -3.265 -0.794 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.672 -5.730 -0.596 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.041 -5.153 -2.158 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.756 -6.834 -1.648 1.00 0.19 H new ATOM 173 N ASN A 11 -13.866 -3.630 -3.256 1.00 0.15 N ATOM 174 CA ASN A 11 -12.649 -3.799 -4.017 1.00 0.18 C ATOM 175 C ASN A 11 -11.527 -4.232 -3.088 1.00 0.20 C ATOM 176 O ASN A 11 -10.830 -3.400 -2.502 1.00 0.24 O ATOM 177 CB ASN A 11 -12.283 -2.490 -4.728 1.00 0.24 C ATOM 178 CG ASN A 11 -11.439 -2.693 -5.974 1.00 1.01 C ATOM 179 OD1 ASN A 11 -10.678 -3.654 -6.086 1.00 1.96 O ATOM 180 ND2 ASN A 11 -11.580 -1.774 -6.920 1.00 1.33 N ATOM 0 H ASN A 11 -13.903 -2.783 -2.689 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.800 -4.568 -4.774 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -13.199 -1.966 -5.001 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.742 -1.847 -4.033 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -11.045 -1.847 -7.785 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.223 -0.995 -6.782 1.00 1.33 H new ATOM 187 N GLY A 12 -11.426 -5.537 -2.875 1.00 0.21 N ATOM 188 CA GLY A 12 -10.353 -6.075 -2.056 1.00 0.26 C ATOM 189 C GLY A 12 -9.592 -7.151 -2.791 1.00 0.39 C ATOM 190 O GLY A 12 -9.588 -7.184 -4.022 1.00 0.91 O ATOM 0 H GLY A 12 -12.067 -6.234 -3.254 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.671 -5.273 -1.772 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.766 -6.483 -1.134 1.00 0.26 H new ATOM 194 N LYS A 13 -8.909 -8.002 -2.049 1.00 0.44 N ATOM 195 CA LYS A 13 -8.162 -9.100 -2.666 1.00 0.56 C ATOM 196 C LYS A 13 -8.995 -10.387 -2.775 1.00 0.66 C ATOM 197 O LYS A 13 -9.181 -10.905 -3.874 1.00 0.89 O ATOM 198 CB LYS A 13 -6.824 -9.380 -1.957 1.00 0.76 C ATOM 199 CG LYS A 13 -5.793 -8.277 -2.142 1.00 1.17 C ATOM 200 CD LYS A 13 -4.387 -8.763 -1.808 1.00 1.63 C ATOM 201 CE LYS A 13 -3.939 -9.854 -2.772 1.00 2.41 C ATOM 202 NZ LYS A 13 -2.695 -10.532 -2.318 1.00 3.26 N ATOM 0 H LYS A 13 -8.851 -7.963 -1.031 1.00 0.44 H new ATOM 0 HA LYS A 13 -7.933 -8.764 -3.677 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -7.009 -9.518 -0.892 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.413 -10.317 -2.333 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -5.821 -7.921 -3.172 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.047 -7.430 -1.505 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -3.690 -7.926 -1.852 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.364 -9.144 -0.787 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -4.734 -10.592 -2.878 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -3.774 -9.419 -3.758 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -2.429 -11.266 -3.005 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -1.927 -9.834 -2.242 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -2.858 -10.970 -1.389 1.00 3.26 H new ATOM 216 N THR A 14 -9.477 -10.929 -1.655 1.00 0.76 N ATOM 217 CA THR A 14 -10.259 -12.158 -1.692 1.00 1.06 C ATOM 218 C THR A 14 -11.754 -11.870 -1.671 1.00 0.93 C ATOM 219 O THR A 14 -12.573 -12.752 -1.933 1.00 1.20 O ATOM 220 CB THR A 14 -9.886 -13.065 -0.506 1.00 1.44 C ATOM 221 OG1 THR A 14 -9.700 -12.271 0.683 1.00 1.93 O ATOM 222 CG2 THR A 14 -8.618 -13.854 -0.803 1.00 1.86 C ATOM 0 H THR A 14 -9.340 -10.539 -0.723 1.00 0.76 H new ATOM 0 HA THR A 14 -10.025 -12.669 -2.626 1.00 1.06 H new ATOM 0 HB THR A 14 -10.702 -13.770 -0.346 1.00 1.44 H new ATOM 0 HG1 THR A 14 -9.465 -12.856 1.433 1.00 1.93 H new ATOM 0 HG21 THR A 14 -8.375 -14.487 0.050 1.00 1.86 H new ATOM 0 HG22 THR A 14 -8.775 -14.476 -1.684 1.00 1.86 H new ATOM 0 HG23 THR A 14 -7.795 -13.164 -0.988 1.00 1.86 H new ATOM 230 N LEU A 15 -12.103 -10.632 -1.368 1.00 0.64 N ATOM 231 CA LEU A 15 -13.482 -10.219 -1.329 1.00 0.66 C ATOM 232 C LEU A 15 -13.739 -9.179 -2.400 1.00 0.49 C ATOM 233 O LEU A 15 -13.392 -8.007 -2.249 1.00 0.55 O ATOM 234 CB LEU A 15 -13.820 -9.680 0.050 1.00 0.92 C ATOM 235 CG LEU A 15 -14.175 -10.746 1.073 1.00 1.07 C ATOM 236 CD1 LEU A 15 -14.328 -10.121 2.438 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.448 -11.457 0.657 1.00 1.35 C ATOM 0 H LEU A 15 -11.437 -9.893 -1.144 1.00 0.64 H new ATOM 0 HA LEU A 15 -14.125 -11.077 -1.527 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -12.970 -9.107 0.421 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -14.657 -8.987 -0.039 1.00 0.92 H new ATOM 0 HG LEU A 15 -13.371 -11.481 1.122 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -14.582 -10.892 3.165 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -13.391 -9.645 2.727 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.121 -9.374 2.409 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -15.696 -12.220 1.395 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -16.263 -10.736 0.592 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -15.301 -11.927 -0.315 1.00 1.35 H new ATOM 249 N LYS A 16 -14.271 -9.641 -3.512 1.00 0.42 N ATOM 250 CA LYS A 16 -14.576 -8.790 -4.637 1.00 0.37 C ATOM 251 C LYS A 16 -15.969 -9.100 -5.148 1.00 0.43 C ATOM 252 O LYS A 16 -16.254 -10.218 -5.579 1.00 0.58 O ATOM 253 CB LYS A 16 -13.539 -9.005 -5.732 1.00 0.45 C ATOM 254 CG LYS A 16 -12.155 -8.507 -5.353 1.00 0.43 C ATOM 255 CD LYS A 16 -11.067 -9.197 -6.136 1.00 1.03 C ATOM 256 CE LYS A 16 -11.394 -9.295 -7.625 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.519 -7.953 -8.270 1.00 2.49 N ATOM 0 H LYS A 16 -14.504 -10.623 -3.659 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.546 -7.745 -4.328 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.484 -10.068 -5.967 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.866 -8.495 -6.638 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -12.098 -7.432 -5.525 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.992 -8.669 -4.287 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -10.131 -8.654 -6.007 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -10.913 -10.198 -5.734 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -10.614 -9.866 -8.129 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -12.326 -9.845 -7.754 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.741 -8.072 -9.279 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -12.281 -7.416 -7.809 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -10.622 -7.436 -8.172 1.00 2.49 H new ATOM 271 N GLY A 17 -16.839 -8.118 -5.041 1.00 0.33 N ATOM 272 CA GLY A 17 -18.217 -8.286 -5.431 1.00 0.39 C ATOM 273 C GLY A 17 -18.997 -7.024 -5.168 1.00 0.26 C ATOM 274 O GLY A 17 -18.413 -5.995 -4.810 1.00 0.23 O ATOM 0 H GLY A 17 -16.611 -7.190 -4.684 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.273 -8.541 -6.489 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.659 -9.115 -4.879 1.00 0.39 H new ATOM 278 N GLU A 18 -20.303 -7.092 -5.329 1.00 0.28 N ATOM 279 CA GLU A 18 -21.154 -5.939 -5.107 1.00 0.23 C ATOM 280 C GLU A 18 -22.395 -6.320 -4.312 1.00 0.29 C ATOM 281 O GLU A 18 -22.659 -7.501 -4.067 1.00 0.49 O ATOM 282 CB GLU A 18 -21.557 -5.325 -6.449 1.00 0.46 C ATOM 283 CG GLU A 18 -20.383 -4.761 -7.228 1.00 0.70 C ATOM 284 CD GLU A 18 -20.419 -5.138 -8.691 1.00 1.17 C ATOM 285 OE1 GLU A 18 -21.016 -4.384 -9.489 1.00 1.69 O ATOM 286 OE2 GLU A 18 -19.845 -6.190 -9.049 1.00 1.69 O ATOM 0 H GLU A 18 -20.800 -7.936 -5.614 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.594 -5.205 -4.528 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.054 -6.084 -7.053 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.283 -4.531 -6.274 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.380 -3.675 -7.137 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.453 -5.121 -6.787 1.00 0.70 H new ATOM 293 N THR A 19 -23.130 -5.305 -3.883 1.00 0.22 N ATOM 294 CA THR A 19 -24.350 -5.493 -3.114 1.00 0.32 C ATOM 295 C THR A 19 -25.190 -4.217 -3.184 1.00 0.29 C ATOM 296 O THR A 19 -24.704 -3.178 -3.650 1.00 0.31 O ATOM 297 CB THR A 19 -24.042 -5.858 -1.640 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.248 -6.228 -0.959 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.383 -4.690 -0.902 1.00 0.45 C ATOM 0 H THR A 19 -22.897 -4.328 -4.059 1.00 0.22 H new ATOM 0 HA THR A 19 -24.908 -6.325 -3.544 1.00 0.32 H new ATOM 0 HB THR A 19 -23.349 -6.700 -1.647 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.041 -6.458 -0.029 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.180 -4.979 0.129 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.447 -4.429 -1.396 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.052 -3.829 -0.913 1.00 0.45 H new ATOM 307 N THR A 20 -26.436 -4.285 -2.728 1.00 0.27 N ATOM 308 CA THR A 20 -27.334 -3.141 -2.796 1.00 0.24 C ATOM 309 C THR A 20 -28.224 -3.034 -1.557 1.00 0.25 C ATOM 310 O THR A 20 -28.523 -4.032 -0.903 1.00 0.31 O ATOM 311 CB THR A 20 -28.243 -3.217 -4.042 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.747 -4.553 -4.193 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.515 -2.804 -5.322 1.00 0.32 C ATOM 0 H THR A 20 -26.845 -5.120 -2.308 1.00 0.27 H new ATOM 0 HA THR A 20 -26.696 -2.259 -2.854 1.00 0.24 H new ATOM 0 HB THR A 20 -29.062 -2.515 -3.887 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.325 -4.597 -4.983 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.198 -2.875 -6.168 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.163 -1.777 -5.225 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.664 -3.465 -5.486 1.00 0.32 H new ATOM 321 N THR A 21 -28.653 -1.812 -1.260 1.00 0.23 N ATOM 322 CA THR A 21 -29.569 -1.556 -0.152 1.00 0.26 C ATOM 323 C THR A 21 -30.343 -0.265 -0.434 1.00 0.25 C ATOM 324 O THR A 21 -29.919 0.548 -1.256 1.00 0.26 O ATOM 325 CB THR A 21 -28.844 -1.454 1.222 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.793 -1.666 2.280 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.182 -0.076 1.412 1.00 0.28 C ATOM 0 H THR A 21 -28.379 -0.976 -1.776 1.00 0.23 H new ATOM 0 HA THR A 21 -30.249 -2.405 -0.082 1.00 0.26 H new ATOM 0 HB THR A 21 -28.065 -2.216 1.248 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.337 -1.604 3.145 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.686 -0.041 2.382 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.448 0.087 0.623 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.943 0.703 1.366 1.00 0.28 H new ATOM 335 N GLU A 22 -31.505 -0.111 0.171 1.00 0.31 N ATOM 336 CA GLU A 22 -32.308 1.079 -0.049 1.00 0.36 C ATOM 337 C GLU A 22 -32.245 2.001 1.173 1.00 0.36 C ATOM 338 O GLU A 22 -32.522 1.580 2.299 1.00 0.58 O ATOM 339 CB GLU A 22 -33.763 0.672 -0.375 1.00 0.51 C ATOM 340 CG GLU A 22 -34.400 -0.240 0.663 1.00 1.16 C ATOM 341 CD GLU A 22 -35.770 -0.714 0.229 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.854 -1.530 -0.712 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.770 -0.289 0.842 1.00 2.24 O ATOM 0 H GLU A 22 -31.913 -0.789 0.815 1.00 0.31 H new ATOM 0 HA GLU A 22 -31.908 1.633 -0.899 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.368 1.573 -0.471 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.781 0.171 -1.343 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.755 -1.102 0.835 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -34.483 0.291 1.612 1.00 1.16 H new ATOM 350 N ALA A 23 -31.835 3.252 0.957 1.00 0.26 N ATOM 351 CA ALA A 23 -31.722 4.220 2.045 1.00 0.28 C ATOM 352 C ALA A 23 -32.221 5.585 1.577 1.00 0.31 C ATOM 353 O ALA A 23 -32.264 5.845 0.378 1.00 0.38 O ATOM 354 CB ALA A 23 -30.274 4.313 2.524 1.00 0.32 C ATOM 0 H ALA A 23 -31.577 3.616 0.040 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.338 3.889 2.881 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.205 5.038 3.335 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.945 3.337 2.881 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.637 4.630 1.698 1.00 0.32 H new ATOM 360 N VAL A 24 -32.612 6.449 2.507 1.00 0.35 N ATOM 361 CA VAL A 24 -33.116 7.769 2.149 1.00 0.45 C ATOM 362 C VAL A 24 -32.029 8.834 2.278 1.00 0.49 C ATOM 363 O VAL A 24 -32.286 10.024 2.100 1.00 0.74 O ATOM 364 CB VAL A 24 -34.324 8.173 3.024 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.487 7.218 2.807 1.00 1.05 C ATOM 366 CG2 VAL A 24 -33.934 8.215 4.497 1.00 1.09 C ATOM 0 H VAL A 24 -32.590 6.260 3.509 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.436 7.707 1.109 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.640 9.173 2.726 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.327 7.520 3.432 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.787 7.242 1.759 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.182 6.206 3.074 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.799 8.502 5.094 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.587 7.230 4.810 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.136 8.943 4.641 1.00 1.09 H new ATOM 376 N ASP A 25 -30.803 8.403 2.534 1.00 0.39 N ATOM 377 CA ASP A 25 -29.705 9.337 2.746 1.00 0.45 C ATOM 378 C ASP A 25 -28.365 8.696 2.419 1.00 0.39 C ATOM 379 O ASP A 25 -28.232 7.471 2.432 1.00 0.35 O ATOM 380 CB ASP A 25 -29.723 9.835 4.192 1.00 0.54 C ATOM 381 CG ASP A 25 -28.526 10.677 4.550 1.00 1.25 C ATOM 382 OD1 ASP A 25 -28.435 11.804 4.036 1.00 1.51 O ATOM 383 OD2 ASP A 25 -27.696 10.228 5.365 1.00 2.13 O ATOM 0 H ASP A 25 -30.543 7.419 2.600 1.00 0.39 H new ATOM 0 HA ASP A 25 -29.838 10.184 2.073 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -30.630 10.417 4.357 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.768 8.977 4.863 1.00 0.54 H new ATOM 388 N ALA A 26 -27.379 9.534 2.134 1.00 0.44 N ATOM 389 CA ALA A 26 -26.050 9.066 1.763 1.00 0.46 C ATOM 390 C ALA A 26 -25.234 8.678 2.993 1.00 0.38 C ATOM 391 O ALA A 26 -24.591 7.630 3.012 1.00 0.37 O ATOM 392 CB ALA A 26 -25.313 10.130 0.961 1.00 0.59 C ATOM 0 H ALA A 26 -27.475 10.549 2.153 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.174 8.178 1.144 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.322 9.763 0.693 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -25.874 10.356 0.054 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.214 11.035 1.561 1.00 0.59 H new ATOM 398 N ALA A 27 -25.324 9.490 4.042 1.00 0.39 N ATOM 399 CA ALA A 27 -24.569 9.242 5.266 1.00 0.38 C ATOM 400 C ALA A 27 -25.128 8.016 5.968 1.00 0.31 C ATOM 401 O ALA A 27 -24.393 7.197 6.522 1.00 0.32 O ATOM 402 CB ALA A 27 -24.617 10.461 6.182 1.00 0.48 C ATOM 0 H ALA A 27 -25.911 10.324 4.069 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.525 9.058 5.011 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.049 10.257 7.089 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.184 11.319 5.668 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -25.652 10.679 6.444 1.00 0.48 H new ATOM 408 N THR A 28 -26.439 7.880 5.892 1.00 0.31 N ATOM 409 CA THR A 28 -27.132 6.738 6.469 1.00 0.30 C ATOM 410 C THR A 28 -26.773 5.448 5.724 1.00 0.24 C ATOM 411 O THR A 28 -26.700 4.375 6.323 1.00 0.28 O ATOM 412 CB THR A 28 -28.657 6.949 6.434 1.00 0.36 C ATOM 413 OG1 THR A 28 -28.972 8.256 6.938 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.377 5.905 7.278 1.00 0.45 C ATOM 0 H THR A 28 -27.052 8.553 5.432 1.00 0.31 H new ATOM 0 HA THR A 28 -26.811 6.646 7.507 1.00 0.30 H new ATOM 0 HB THR A 28 -28.989 6.851 5.401 1.00 0.36 H new ATOM 0 HG1 THR A 28 -28.475 8.931 6.430 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.452 6.080 7.234 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.155 4.910 6.893 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.040 5.978 8.312 1.00 0.45 H new ATOM 422 N ALA A 29 -26.474 5.569 4.433 1.00 0.21 N ATOM 423 CA ALA A 29 -26.114 4.411 3.625 1.00 0.22 C ATOM 424 C ALA A 29 -24.682 4.002 3.933 1.00 0.21 C ATOM 425 O ALA A 29 -24.360 2.812 3.995 1.00 0.25 O ATOM 426 CB ALA A 29 -26.274 4.733 2.149 1.00 0.28 C ATOM 0 H ALA A 29 -26.474 6.455 3.927 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.777 3.581 3.867 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -26.002 3.861 1.555 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.310 5.002 1.946 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.624 5.568 1.886 1.00 0.28 H new ATOM 432 N GLU A 30 -23.843 5.010 4.154 1.00 0.19 N ATOM 433 CA GLU A 30 -22.451 4.801 4.497 1.00 0.20 C ATOM 434 C GLU A 30 -22.343 3.963 5.768 1.00 0.20 C ATOM 435 O GLU A 30 -21.876 2.830 5.731 1.00 0.23 O ATOM 436 CB GLU A 30 -21.767 6.150 4.715 1.00 0.24 C ATOM 437 CG GLU A 30 -20.256 6.077 4.712 1.00 0.35 C ATOM 438 CD GLU A 30 -19.612 7.371 5.165 1.00 0.50 C ATOM 439 OE1 GLU A 30 -18.696 7.314 6.009 1.00 1.14 O ATOM 440 OE2 GLU A 30 -20.016 8.450 4.675 1.00 1.29 O ATOM 0 H GLU A 30 -24.114 5.992 4.099 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.961 4.272 3.679 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.089 6.840 3.936 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.099 6.566 5.666 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.933 5.266 5.365 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.909 5.834 3.708 1.00 0.35 H new ATOM 447 N LYS A 31 -22.873 4.506 6.862 1.00 0.20 N ATOM 448 CA LYS A 31 -22.818 3.869 8.179 1.00 0.24 C ATOM 449 C LYS A 31 -23.232 2.394 8.155 1.00 0.22 C ATOM 450 O LYS A 31 -22.554 1.553 8.741 1.00 0.26 O ATOM 451 CB LYS A 31 -23.691 4.634 9.176 1.00 0.29 C ATOM 452 CG LYS A 31 -23.256 6.076 9.386 1.00 0.39 C ATOM 453 CD LYS A 31 -21.786 6.176 9.770 1.00 1.10 C ATOM 454 CE LYS A 31 -21.500 5.540 11.119 1.00 1.86 C ATOM 455 NZ LYS A 31 -22.117 6.297 12.238 1.00 2.42 N ATOM 0 H LYS A 31 -23.355 5.405 6.861 1.00 0.20 H new ATOM 0 HA LYS A 31 -21.775 3.902 8.492 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -24.723 4.622 8.826 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -23.673 4.115 10.134 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.432 6.645 8.473 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -23.867 6.529 10.167 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.179 5.691 9.006 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.489 7.225 9.795 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -21.876 4.517 11.124 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -20.422 5.484 11.271 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -21.786 5.908 13.144 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -21.845 7.299 12.171 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -23.152 6.215 12.184 1.00 2.42 H new ATOM 469 N VAL A 32 -24.304 2.072 7.444 1.00 0.20 N ATOM 470 CA VAL A 32 -24.788 0.694 7.393 1.00 0.22 C ATOM 471 C VAL A 32 -23.816 -0.201 6.629 1.00 0.18 C ATOM 472 O VAL A 32 -23.425 -1.262 7.119 1.00 0.20 O ATOM 473 CB VAL A 32 -26.181 0.605 6.731 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.665 -0.840 6.665 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.188 1.467 7.473 1.00 0.29 C ATOM 0 H VAL A 32 -24.852 2.737 6.899 1.00 0.20 H new ATOM 0 HA VAL A 32 -24.865 0.349 8.424 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.089 0.981 5.712 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.648 -0.873 6.195 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.962 -1.433 6.080 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.732 -1.248 7.674 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.161 1.388 6.989 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.268 1.126 8.505 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -26.858 2.506 7.458 1.00 0.29 H new ATOM 485 N PHE A 33 -23.409 0.241 5.443 1.00 0.16 N ATOM 486 CA PHE A 33 -22.481 -0.537 4.623 1.00 0.15 C ATOM 487 C PHE A 33 -21.109 -0.644 5.283 1.00 0.15 C ATOM 488 O PHE A 33 -20.342 -1.556 4.977 1.00 0.17 O ATOM 489 CB PHE A 33 -22.330 0.059 3.219 1.00 0.17 C ATOM 490 CG PHE A 33 -23.350 -0.411 2.215 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.752 -1.739 2.166 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.891 0.480 1.301 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.673 -2.166 1.227 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.814 0.059 0.361 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.206 -1.265 0.323 1.00 0.29 C ATOM 0 H PHE A 33 -23.703 1.126 5.029 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.907 -1.536 4.532 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.389 1.145 3.293 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.335 -0.181 2.844 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.340 -2.447 2.870 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.588 1.516 1.323 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.976 -3.202 1.200 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.228 0.765 -0.343 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.927 -1.596 -0.410 1.00 0.29 H new ATOM 505 N LYS A 34 -20.800 0.273 6.197 1.00 0.16 N ATOM 506 CA LYS A 34 -19.532 0.231 6.897 1.00 0.20 C ATOM 507 C LYS A 34 -19.475 -1.003 7.777 1.00 0.20 C ATOM 508 O LYS A 34 -18.491 -1.725 7.766 1.00 0.22 O ATOM 509 CB LYS A 34 -19.323 1.497 7.740 1.00 0.29 C ATOM 510 CG LYS A 34 -19.250 2.757 6.947 1.00 0.43 C ATOM 511 CD LYS A 34 -18.123 3.591 7.488 1.00 0.38 C ATOM 512 CE LYS A 34 -16.769 3.009 7.098 1.00 0.46 C ATOM 513 NZ LYS A 34 -15.640 3.839 7.592 1.00 1.09 N ATOM 0 H LYS A 34 -21.409 1.046 6.464 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.731 0.185 6.159 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.139 1.580 8.458 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.403 1.389 8.314 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -19.085 2.533 5.893 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.191 3.302 7.013 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.207 4.610 7.109 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.198 3.648 8.574 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.679 2.000 7.500 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.710 2.926 6.013 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -14.739 3.406 7.304 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -15.709 4.795 7.189 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -15.680 3.897 8.630 1.00 1.09 H new ATOM 527 N GLN A 35 -20.574 -1.278 8.468 1.00 0.21 N ATOM 528 CA GLN A 35 -20.667 -2.445 9.332 1.00 0.24 C ATOM 529 C GLN A 35 -20.723 -3.705 8.475 1.00 0.21 C ATOM 530 O GLN A 35 -20.203 -4.755 8.854 1.00 0.24 O ATOM 531 CB GLN A 35 -21.900 -2.346 10.246 1.00 0.32 C ATOM 532 CG GLN A 35 -21.983 -3.461 11.285 1.00 0.43 C ATOM 533 CD GLN A 35 -20.737 -3.560 12.150 1.00 1.28 C ATOM 534 OE1 GLN A 35 -20.630 -2.909 13.190 1.00 2.20 O ATOM 535 NE2 GLN A 35 -19.794 -4.382 11.725 1.00 1.82 N ATOM 0 H GLN A 35 -21.417 -0.704 8.446 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.785 -2.491 9.971 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -21.885 -1.384 10.758 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.800 -2.366 9.631 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -22.850 -3.291 11.924 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.143 -4.412 10.777 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -19.924 -4.902 10.857 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -18.936 -4.496 12.265 1.00 1.82 H new ATOM 544 N TYR A 36 -21.304 -3.564 7.288 1.00 0.19 N ATOM 545 CA TYR A 36 -21.385 -4.651 6.325 1.00 0.18 C ATOM 546 C TYR A 36 -19.985 -5.042 5.852 1.00 0.17 C ATOM 547 O TYR A 36 -19.620 -6.219 5.843 1.00 0.19 O ATOM 548 CB TYR A 36 -22.256 -4.211 5.138 1.00 0.19 C ATOM 549 CG TYR A 36 -22.184 -5.126 3.936 1.00 0.21 C ATOM 550 CD1 TYR A 36 -23.021 -6.230 3.843 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.282 -4.900 2.904 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.969 -7.078 2.759 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.222 -5.746 1.814 1.00 1.12 C ATOM 554 CZ TYR A 36 -22.037 -6.782 1.708 1.00 0.34 C ATOM 555 OH TYR A 36 -22.013 -7.673 0.658 1.00 0.42 O ATOM 0 H TYR A 36 -21.730 -2.694 6.969 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.839 -5.523 6.796 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.293 -4.146 5.468 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.955 -3.208 4.834 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.727 -6.428 4.636 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -20.618 -4.050 2.955 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -23.613 -7.943 2.701 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.498 -5.558 1.035 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.349 -7.383 -0.002 1.00 0.42 H new ATOM 565 N ALA A 37 -19.199 -4.042 5.475 1.00 0.15 N ATOM 566 CA ALA A 37 -17.834 -4.268 5.017 1.00 0.16 C ATOM 567 C ALA A 37 -16.934 -4.652 6.187 1.00 0.18 C ATOM 568 O ALA A 37 -16.085 -5.536 6.068 1.00 0.22 O ATOM 569 CB ALA A 37 -17.312 -3.019 4.326 1.00 0.17 C ATOM 0 H ALA A 37 -19.485 -3.063 5.477 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.831 -5.093 4.304 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.291 -3.192 3.985 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.946 -2.785 3.471 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.324 -2.184 5.026 1.00 0.17 H new ATOM 575 N ASN A 38 -17.165 -4.002 7.324 1.00 0.20 N ATOM 576 CA ASN A 38 -16.403 -4.249 8.557 1.00 0.26 C ATOM 577 C ASN A 38 -16.516 -5.710 8.975 1.00 0.28 C ATOM 578 O ASN A 38 -15.517 -6.351 9.306 1.00 0.36 O ATOM 579 CB ASN A 38 -16.926 -3.343 9.700 1.00 0.31 C ATOM 580 CG ASN A 38 -16.167 -3.510 11.020 1.00 0.44 C ATOM 581 OD1 ASN A 38 -16.429 -4.449 11.770 1.00 1.03 O ATOM 582 ND2 ASN A 38 -15.283 -2.568 11.358 1.00 1.39 N ATOM 0 H ASN A 38 -17.886 -3.287 7.423 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.356 -4.017 8.362 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -16.861 -2.302 9.384 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -17.981 -3.560 9.869 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -14.806 -2.616 12.258 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -15.085 -1.800 10.716 1.00 1.39 H new ATOM 589 N ASP A 39 -17.726 -6.250 8.884 1.00 0.30 N ATOM 590 CA ASP A 39 -17.989 -7.626 9.294 1.00 0.38 C ATOM 591 C ASP A 39 -17.329 -8.626 8.342 1.00 0.33 C ATOM 592 O ASP A 39 -17.098 -9.782 8.702 1.00 0.41 O ATOM 593 CB ASP A 39 -19.500 -7.872 9.365 1.00 0.53 C ATOM 594 CG ASP A 39 -19.871 -9.055 10.243 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.957 -10.190 9.715 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.054 -8.865 11.459 1.00 1.77 O ATOM 0 H ASP A 39 -18.544 -5.754 8.529 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.556 -7.775 10.283 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -19.990 -6.976 9.746 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.882 -8.040 8.358 1.00 0.53 H new ATOM 601 N ASN A 40 -16.978 -8.169 7.140 1.00 0.28 N ATOM 602 CA ASN A 40 -16.313 -9.028 6.165 1.00 0.34 C ATOM 603 C ASN A 40 -14.806 -8.783 6.165 1.00 0.32 C ATOM 604 O ASN A 40 -14.051 -9.522 5.537 1.00 0.46 O ATOM 605 CB ASN A 40 -16.877 -8.820 4.751 1.00 0.42 C ATOM 606 CG ASN A 40 -18.205 -9.530 4.525 1.00 0.92 C ATOM 607 OD1 ASN A 40 -18.233 -10.695 4.130 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.313 -8.834 4.739 1.00 0.78 N ATOM 0 H ASN A 40 -17.143 -7.214 6.821 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.505 -10.060 6.459 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.008 -7.753 4.572 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.152 -9.179 4.021 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.224 -9.263 4.576 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.254 -7.870 5.067 1.00 0.78 H new ATOM 615 N GLY A 41 -14.373 -7.751 6.883 1.00 0.25 N ATOM 616 CA GLY A 41 -12.961 -7.445 6.959 1.00 0.33 C ATOM 617 C GLY A 41 -12.490 -6.546 5.836 1.00 0.28 C ATOM 618 O GLY A 41 -11.326 -6.606 5.436 1.00 0.37 O ATOM 0 H GLY A 41 -14.977 -7.123 7.413 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.750 -6.965 7.914 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.392 -8.374 6.936 1.00 0.33 H new ATOM 622 N VAL A 42 -13.388 -5.728 5.296 1.00 0.23 N ATOM 623 CA VAL A 42 -13.028 -4.812 4.237 1.00 0.26 C ATOM 624 C VAL A 42 -13.150 -3.372 4.702 1.00 0.36 C ATOM 625 O VAL A 42 -14.223 -2.920 5.100 1.00 0.46 O ATOM 626 CB VAL A 42 -13.896 -5.012 2.983 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.466 -4.043 1.897 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.791 -6.442 2.496 1.00 0.29 C ATOM 0 H VAL A 42 -14.367 -5.686 5.579 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.991 -5.027 3.978 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.937 -4.812 3.235 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -14.085 -4.190 1.012 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.582 -3.020 2.255 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.421 -4.222 1.643 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.410 -6.570 1.608 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.753 -6.668 2.251 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.134 -7.119 3.278 1.00 0.29 H new ATOM 638 N ASP A 43 -12.035 -2.673 4.666 1.00 0.42 N ATOM 639 CA ASP A 43 -11.998 -1.262 5.014 1.00 0.55 C ATOM 640 C ASP A 43 -10.977 -0.573 4.121 1.00 0.47 C ATOM 641 O ASP A 43 -9.990 -1.192 3.711 1.00 0.68 O ATOM 642 CB ASP A 43 -11.652 -1.052 6.492 1.00 0.80 C ATOM 643 CG ASP A 43 -12.143 0.292 7.009 1.00 1.29 C ATOM 644 OD1 ASP A 43 -11.685 1.339 6.502 1.00 1.86 O ATOM 645 OD2 ASP A 43 -13.002 0.308 7.917 1.00 1.80 O ATOM 0 H ASP A 43 -11.131 -3.061 4.397 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.986 -0.830 4.857 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -12.095 -1.852 7.085 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.572 -1.118 6.624 1.00 0.80 H new ATOM 650 N GLY A 44 -11.244 0.669 3.760 1.00 0.43 N ATOM 651 CA GLY A 44 -10.378 1.374 2.849 1.00 0.37 C ATOM 652 C GLY A 44 -10.908 2.752 2.538 1.00 0.34 C ATOM 653 O GLY A 44 -11.782 3.252 3.249 1.00 0.38 O ATOM 0 H GLY A 44 -12.050 1.203 4.085 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.381 1.456 3.282 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.278 0.804 1.925 1.00 0.37 H new ATOM 657 N GLU A 45 -10.309 3.404 1.550 1.00 0.34 N ATOM 658 CA GLU A 45 -10.774 4.708 1.095 1.00 0.35 C ATOM 659 C GLU A 45 -12.227 4.619 0.650 1.00 0.29 C ATOM 660 O GLU A 45 -12.617 3.681 -0.052 1.00 0.43 O ATOM 661 CB GLU A 45 -9.905 5.209 -0.059 1.00 0.45 C ATOM 662 CG GLU A 45 -8.962 6.330 0.339 1.00 1.27 C ATOM 663 CD GLU A 45 -9.700 7.615 0.649 1.00 2.01 C ATOM 664 OE1 GLU A 45 -10.319 7.702 1.730 1.00 2.79 O ATOM 665 OE2 GLU A 45 -9.659 8.547 -0.178 1.00 2.57 O ATOM 0 H GLU A 45 -9.496 3.049 1.046 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.698 5.413 1.923 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.322 4.377 -0.453 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.550 5.556 -0.866 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.385 6.025 1.212 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.250 6.507 -0.467 1.00 1.27 H new ATOM 672 N TRP A 46 -13.019 5.602 1.047 1.00 0.22 N ATOM 673 CA TRP A 46 -14.435 5.614 0.709 1.00 0.24 C ATOM 674 C TRP A 46 -14.741 6.704 -0.308 1.00 0.28 C ATOM 675 O TRP A 46 -14.640 7.897 -0.015 1.00 0.41 O ATOM 676 CB TRP A 46 -15.315 5.774 1.965 1.00 0.31 C ATOM 677 CG TRP A 46 -15.657 4.454 2.603 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.772 3.598 3.185 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.954 3.827 2.722 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.419 2.481 3.649 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.753 2.598 3.382 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.264 4.171 2.342 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.791 1.714 3.656 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.295 3.294 2.631 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.054 2.081 3.283 1.00 0.35 C ATOM 0 H TRP A 46 -12.708 6.400 1.602 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.674 4.650 0.260 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.796 6.401 2.690 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.235 6.293 1.696 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.710 3.774 3.269 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.975 1.691 4.118 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.462 5.103 1.834 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.606 0.770 4.147 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.305 3.552 2.347 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.882 1.421 3.496 1.00 0.35 H new ATOM 696 N THR A 47 -15.083 6.281 -1.514 1.00 0.29 N ATOM 697 CA THR A 47 -15.421 7.201 -2.583 1.00 0.35 C ATOM 698 C THR A 47 -16.899 7.064 -2.938 1.00 0.31 C ATOM 699 O THR A 47 -17.464 5.971 -2.831 1.00 0.28 O ATOM 700 CB THR A 47 -14.546 6.952 -3.828 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.307 5.545 -3.989 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.222 7.690 -3.713 1.00 0.63 C ATOM 0 H THR A 47 -15.133 5.297 -1.777 1.00 0.29 H new ATOM 0 HA THR A 47 -15.229 8.216 -2.236 1.00 0.35 H new ATOM 0 HB THR A 47 -15.078 7.329 -4.701 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.752 5.396 -4.783 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.621 7.500 -4.602 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.409 8.760 -3.623 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.686 7.340 -2.831 1.00 0.63 H new ATOM 710 N TYR A 48 -17.531 8.162 -3.335 1.00 0.38 N ATOM 711 CA TYR A 48 -18.952 8.151 -3.628 1.00 0.37 C ATOM 712 C TYR A 48 -19.240 8.798 -4.988 1.00 0.42 C ATOM 713 O TYR A 48 -18.749 9.887 -5.282 1.00 0.51 O ATOM 714 CB TYR A 48 -19.710 8.867 -2.496 1.00 0.41 C ATOM 715 CG TYR A 48 -21.149 9.245 -2.793 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.564 10.575 -2.799 1.00 1.14 C ATOM 717 CD2 TYR A 48 -22.088 8.269 -3.109 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.869 10.915 -3.108 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.396 8.603 -3.412 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.804 9.952 -3.270 1.00 0.61 C ATOM 721 OH TYR A 48 -25.084 10.256 -3.726 1.00 0.70 O ATOM 0 H TYR A 48 -17.080 9.068 -3.460 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.297 7.119 -3.686 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.698 8.225 -1.615 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.163 9.774 -2.237 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.855 11.354 -2.558 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.791 7.231 -3.118 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.142 11.954 -3.220 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -24.092 7.850 -3.750 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.089 11.158 -4.110 1.00 0.70 H new ATOM 731 N ASP A 49 -20.010 8.111 -5.825 1.00 0.42 N ATOM 732 CA ASP A 49 -20.394 8.663 -7.133 1.00 0.51 C ATOM 733 C ASP A 49 -21.895 8.943 -7.090 1.00 0.53 C ATOM 734 O ASP A 49 -22.703 8.014 -7.099 1.00 0.55 O ATOM 735 CB ASP A 49 -20.043 7.706 -8.302 1.00 0.57 C ATOM 736 CG ASP A 49 -20.302 8.331 -9.660 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.342 8.851 -10.267 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.468 8.330 -10.108 1.00 1.52 O ATOM 0 H ASP A 49 -20.380 7.181 -5.631 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.833 9.579 -7.318 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.994 7.420 -8.231 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.629 6.792 -8.208 1.00 0.57 H new ATOM 743 N ASP A 50 -22.268 10.218 -6.954 1.00 0.68 N ATOM 744 CA ASP A 50 -23.674 10.599 -6.761 1.00 0.76 C ATOM 745 C ASP A 50 -24.507 10.329 -8.014 1.00 0.73 C ATOM 746 O ASP A 50 -25.728 10.186 -7.926 1.00 0.84 O ATOM 747 CB ASP A 50 -23.777 12.106 -6.389 1.00 1.00 C ATOM 748 CG ASP A 50 -23.458 13.004 -7.569 1.00 1.56 C ATOM 749 OD1 ASP A 50 -22.262 13.157 -7.889 1.00 2.28 O ATOM 750 OD2 ASP A 50 -24.398 13.567 -8.173 1.00 2.15 O ATOM 0 H ASP A 50 -21.619 11.005 -6.974 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.069 9.990 -5.948 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -24.783 12.323 -6.029 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.092 12.325 -5.570 1.00 1.00 H new ATOM 755 N ALA A 51 -23.859 10.261 -9.168 1.00 0.70 N ATOM 756 CA ALA A 51 -24.565 10.012 -10.419 1.00 0.78 C ATOM 757 C ALA A 51 -25.062 8.568 -10.492 1.00 0.75 C ATOM 758 O ALA A 51 -26.117 8.294 -11.061 1.00 0.91 O ATOM 759 CB ALA A 51 -23.674 10.346 -11.611 1.00 0.91 C ATOM 0 H ALA A 51 -22.850 10.374 -9.265 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.438 10.664 -10.453 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.217 10.154 -12.536 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.389 11.397 -11.569 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.778 9.726 -11.581 1.00 0.91 H new ATOM 765 N THR A 52 -24.303 7.650 -9.906 1.00 0.63 N ATOM 766 CA THR A 52 -24.672 6.239 -9.917 1.00 0.65 C ATOM 767 C THR A 52 -25.166 5.758 -8.549 1.00 0.55 C ATOM 768 O THR A 52 -25.595 4.610 -8.409 1.00 0.62 O ATOM 769 CB THR A 52 -23.475 5.371 -10.363 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.306 5.742 -9.621 1.00 1.06 O ATOM 771 CG2 THR A 52 -23.205 5.529 -11.859 1.00 1.19 C ATOM 0 H THR A 52 -23.431 7.856 -9.419 1.00 0.63 H new ATOM 0 HA THR A 52 -25.492 6.133 -10.628 1.00 0.65 H new ATOM 0 HB THR A 52 -23.720 4.327 -10.168 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.004 6.629 -9.908 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.357 4.906 -12.143 1.00 1.19 H new ATOM 0 HG22 THR A 52 -24.086 5.222 -12.422 1.00 1.19 H new ATOM 0 HG23 THR A 52 -22.979 6.572 -12.080 1.00 1.19 H new ATOM 779 N LYS A 53 -25.125 6.650 -7.552 1.00 0.47 N ATOM 780 CA LYS A 53 -25.515 6.303 -6.167 1.00 0.46 C ATOM 781 C LYS A 53 -24.764 5.068 -5.701 1.00 0.39 C ATOM 782 O LYS A 53 -25.339 4.131 -5.142 1.00 0.49 O ATOM 783 CB LYS A 53 -27.027 6.085 -6.041 1.00 0.59 C ATOM 784 CG LYS A 53 -27.829 7.367 -6.076 1.00 0.81 C ATOM 785 CD LYS A 53 -27.537 8.194 -4.844 1.00 0.87 C ATOM 786 CE LYS A 53 -28.347 9.475 -4.790 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.026 10.259 -3.568 1.00 2.08 N ATOM 0 H LYS A 53 -24.827 7.618 -7.671 1.00 0.47 H new ATOM 0 HA LYS A 53 -25.248 7.145 -5.528 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.361 5.435 -6.850 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -27.234 5.562 -5.107 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -27.582 7.936 -6.973 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -28.894 7.138 -6.127 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -27.747 7.599 -3.955 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -26.475 8.440 -4.820 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -28.142 10.076 -5.676 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -29.411 9.237 -4.805 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.502 11.182 -3.613 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -28.353 9.741 -2.727 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -26.998 10.403 -3.508 1.00 2.08 H new ATOM 801 N THR A 54 -23.461 5.107 -5.890 1.00 0.34 N ATOM 802 CA THR A 54 -22.613 3.989 -5.548 1.00 0.31 C ATOM 803 C THR A 54 -21.493 4.407 -4.605 1.00 0.28 C ATOM 804 O THR A 54 -20.836 5.431 -4.817 1.00 0.35 O ATOM 805 CB THR A 54 -21.987 3.363 -6.812 1.00 0.38 C ATOM 806 OG1 THR A 54 -23.005 3.115 -7.788 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.280 2.049 -6.477 1.00 0.41 C ATOM 0 H THR A 54 -22.966 5.908 -6.282 1.00 0.34 H new ATOM 0 HA THR A 54 -23.246 3.255 -5.049 1.00 0.31 H new ATOM 0 HB THR A 54 -21.255 4.065 -7.211 1.00 0.38 H new ATOM 0 HG1 THR A 54 -23.728 3.767 -7.679 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.847 1.627 -7.384 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.489 2.236 -5.751 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.999 1.346 -6.057 1.00 0.41 H new ATOM 815 N TYR A 55 -21.335 3.651 -3.530 1.00 0.21 N ATOM 816 CA TYR A 55 -20.214 3.831 -2.623 1.00 0.21 C ATOM 817 C TYR A 55 -19.177 2.766 -2.928 1.00 0.21 C ATOM 818 O TYR A 55 -19.517 1.595 -3.113 1.00 0.24 O ATOM 819 CB TYR A 55 -20.625 3.748 -1.142 1.00 0.24 C ATOM 820 CG TYR A 55 -20.722 5.084 -0.442 1.00 0.30 C ATOM 821 CD1 TYR A 55 -21.924 5.517 0.106 1.00 1.14 C ATOM 822 CD2 TYR A 55 -19.624 5.929 -0.360 1.00 1.06 C ATOM 823 CE1 TYR A 55 -22.026 6.754 0.716 1.00 1.19 C ATOM 824 CE2 TYR A 55 -19.718 7.165 0.255 1.00 1.12 C ATOM 825 CZ TYR A 55 -20.882 7.516 0.904 1.00 0.56 C ATOM 826 OH TYR A 55 -21.025 8.810 1.386 1.00 0.70 O ATOM 0 H TYR A 55 -21.974 2.902 -3.264 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.810 4.831 -2.779 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.590 3.245 -1.074 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.903 3.126 -0.612 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -22.792 4.877 0.055 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -18.681 5.617 -0.783 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -22.987 7.123 1.043 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -18.884 7.851 0.227 1.00 1.12 H new ATOM 0 HH TYR A 55 -20.142 9.227 1.470 1.00 0.70 H new ATOM 836 N THR A 56 -17.933 3.178 -3.069 1.00 0.24 N ATOM 837 CA THR A 56 -16.868 2.240 -3.376 1.00 0.29 C ATOM 838 C THR A 56 -15.848 2.180 -2.245 1.00 0.25 C ATOM 839 O THR A 56 -15.262 3.202 -1.873 1.00 0.28 O ATOM 840 CB THR A 56 -16.161 2.605 -4.704 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.129 2.702 -5.760 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.117 1.554 -5.071 1.00 0.74 C ATOM 0 H THR A 56 -17.634 4.149 -2.977 1.00 0.24 H new ATOM 0 HA THR A 56 -17.326 1.257 -3.488 1.00 0.29 H new ATOM 0 HB THR A 56 -15.661 3.564 -4.572 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.677 2.935 -6.598 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.634 1.833 -6.008 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.369 1.493 -4.281 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.602 0.585 -5.187 1.00 0.74 H new ATOM 850 N VAL A 57 -15.664 0.987 -1.680 1.00 0.24 N ATOM 851 CA VAL A 57 -14.670 0.789 -0.625 1.00 0.23 C ATOM 852 C VAL A 57 -13.485 0.029 -1.211 1.00 0.24 C ATOM 853 O VAL A 57 -13.615 -1.110 -1.668 1.00 0.30 O ATOM 854 CB VAL A 57 -15.222 0.064 0.652 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.709 -1.356 0.381 1.00 0.28 C ATOM 856 CG2 VAL A 57 -14.158 0.046 1.736 1.00 0.27 C ATOM 0 H VAL A 57 -16.186 0.148 -1.933 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.366 1.776 -0.276 1.00 0.23 H new ATOM 0 HB VAL A 57 -16.091 0.634 0.982 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -16.077 -1.797 1.307 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.514 -1.331 -0.354 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.885 -1.956 -0.004 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.548 -0.459 2.620 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.278 -0.485 1.373 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.884 1.069 1.994 1.00 0.27 H new ATOM 866 N THR A 58 -12.368 0.719 -1.329 1.00 0.26 N ATOM 867 CA THR A 58 -11.191 0.150 -1.945 1.00 0.30 C ATOM 868 C THR A 58 -10.137 -0.180 -0.904 1.00 0.32 C ATOM 869 O THR A 58 -9.761 0.674 -0.104 1.00 0.36 O ATOM 870 CB THR A 58 -10.605 1.124 -2.980 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.658 1.607 -3.826 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.541 0.446 -3.830 1.00 0.52 C ATOM 0 H THR A 58 -12.253 1.679 -1.004 1.00 0.26 H new ATOM 0 HA THR A 58 -11.488 -0.772 -2.445 1.00 0.30 H new ATOM 0 HB THR A 58 -10.140 1.954 -2.449 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.288 2.230 -4.486 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.144 1.159 -4.553 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.734 0.092 -3.189 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.982 -0.400 -4.358 1.00 0.52 H new ATOM 880 N GLU A 59 -9.697 -1.424 -0.897 1.00 0.35 N ATOM 881 CA GLU A 59 -8.663 -1.858 0.029 1.00 0.42 C ATOM 882 C GLU A 59 -7.309 -1.396 -0.524 1.00 0.53 C ATOM 883 O GLU A 59 -7.076 -1.484 -1.734 1.00 0.75 O ATOM 884 CB GLU A 59 -8.699 -3.393 0.166 1.00 0.44 C ATOM 885 CG GLU A 59 -8.042 -3.991 1.411 1.00 0.78 C ATOM 886 CD GLU A 59 -6.583 -3.616 1.603 1.00 1.79 C ATOM 887 OE1 GLU A 59 -5.740 -4.036 0.782 1.00 2.34 O ATOM 888 OE2 GLU A 59 -6.274 -2.926 2.595 1.00 2.56 O ATOM 0 H GLU A 59 -10.039 -2.154 -1.522 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.824 -1.427 1.017 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -9.741 -3.711 0.146 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.217 -3.824 -0.712 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -8.603 -3.672 2.289 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.120 -5.077 1.360 1.00 0.78 H new ATOM 895 N GLY A 60 -6.451 -0.838 0.321 1.00 0.79 N ATOM 896 CA GLY A 60 -5.154 -0.411 -0.151 1.00 0.91 C ATOM 897 C GLY A 60 -4.095 -0.611 0.896 1.00 1.48 C ATOM 898 O GLY A 60 -3.988 0.169 1.842 1.00 2.32 O ATOM 0 H GLY A 60 -6.629 -0.676 1.312 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -4.890 -0.970 -1.049 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -5.196 0.641 -0.432 1.00 0.91 H new ATOM 902 N SER A 61 -3.264 -1.609 0.685 1.00 1.79 N ATOM 903 CA SER A 61 -2.204 -1.923 1.616 1.00 2.75 C ATOM 904 C SER A 61 -0.862 -1.969 0.896 1.00 2.84 C ATOM 905 O SER A 61 -0.689 -2.714 -0.073 1.00 3.18 O ATOM 906 CB SER A 61 -2.510 -3.255 2.315 1.00 3.69 C ATOM 907 OG SER A 61 -3.098 -4.184 1.413 1.00 4.41 O ATOM 0 H SER A 61 -3.304 -2.221 -0.130 1.00 1.79 H new ATOM 0 HA SER A 61 -2.144 -1.142 2.374 1.00 2.75 H new ATOM 0 HB2 SER A 61 -1.591 -3.674 2.725 1.00 3.69 H new ATOM 0 HB3 SER A 61 -3.184 -3.082 3.154 1.00 3.69 H new ATOM 0 HG SER A 61 -4.051 -3.979 1.307 1.00 4.41 H new ATOM 913 N GLY A 62 0.082 -1.161 1.359 1.00 3.15 N ATOM 914 CA GLY A 62 1.394 -1.107 0.739 1.00 3.63 C ATOM 915 C GLY A 62 2.282 -2.274 1.130 1.00 4.11 C ATOM 916 O GLY A 62 3.463 -2.090 1.414 1.00 4.49 O ATOM 0 H GLY A 62 -0.037 -0.538 2.158 1.00 3.15 H new ATOM 0 HA2 GLY A 62 1.278 -1.093 -0.345 1.00 3.63 H new ATOM 0 HA3 GLY A 62 1.884 -0.175 1.019 1.00 3.63 H new ATOM 920 N GLY A 63 1.708 -3.470 1.163 1.00 4.57 N ATOM 921 CA GLY A 63 2.476 -4.652 1.504 1.00 5.36 C ATOM 922 C GLY A 63 3.073 -5.294 0.273 1.00 5.56 C ATOM 923 O GLY A 63 4.124 -5.934 0.348 1.00 6.24 O ATOM 0 H GLY A 63 0.724 -3.643 0.960 1.00 4.57 H new ATOM 0 HA2 GLY A 63 3.272 -4.383 2.199 1.00 5.36 H new ATOM 0 HA3 GLY A 63 1.835 -5.369 2.016 1.00 5.36 H new ATOM 927 N ALA A 64 2.420 -5.057 -0.869 1.00 5.28 N ATOM 928 CA ALA A 64 2.844 -5.585 -2.169 1.00 5.82 C ATOM 929 C ALA A 64 2.708 -7.105 -2.226 1.00 6.16 C ATOM 930 O ALA A 64 1.775 -7.631 -2.835 1.00 6.23 O ATOM 931 CB ALA A 64 4.266 -5.145 -2.504 1.00 6.29 C ATOM 0 H ALA A 64 1.575 -4.488 -0.917 1.00 5.28 H new ATOM 0 HA ALA A 64 2.179 -5.169 -2.926 1.00 5.82 H new ATOM 0 HB1 ALA A 64 4.554 -5.551 -3.474 1.00 6.29 H new ATOM 0 HB2 ALA A 64 4.311 -4.057 -2.539 1.00 6.29 H new ATOM 0 HB3 ALA A 64 4.950 -5.512 -1.739 1.00 6.29 H new ATOM 937 N GLY A 65 3.608 -7.803 -1.552 1.00 6.75 N ATOM 938 CA GLY A 65 3.569 -9.250 -1.539 1.00 7.43 C ATOM 939 C GLY A 65 4.668 -9.843 -0.685 1.00 8.04 C ATOM 940 O GLY A 65 5.641 -9.163 -0.348 1.00 8.41 O ATOM 0 H GLY A 65 4.368 -7.391 -1.011 1.00 6.75 H new ATOM 0 HA2 GLY A 65 2.601 -9.582 -1.165 1.00 7.43 H new ATOM 0 HA3 GLY A 65 3.662 -9.624 -2.559 1.00 7.43 H new ATOM 944 N GLY A 66 4.521 -11.116 -0.352 1.00 8.36 N ATOM 945 CA GLY A 66 5.512 -11.800 0.452 1.00 9.12 C ATOM 946 C GLY A 66 6.181 -12.906 -0.329 1.00 9.70 C ATOM 947 O GLY A 66 6.675 -13.875 0.240 1.00 10.44 O ATOM 0 H GLY A 66 3.726 -11.692 -0.627 1.00 8.36 H new ATOM 0 HA2 GLY A 66 6.262 -11.087 0.793 1.00 9.12 H new ATOM 0 HA3 GLY A 66 5.039 -12.215 1.342 1.00 9.12 H new ATOM 951 N GLN A 67 6.152 -12.777 -1.645 1.00 9.54 N ATOM 952 CA GLN A 67 6.736 -13.771 -2.526 1.00 10.26 C ATOM 953 C GLN A 67 8.214 -13.469 -2.776 1.00 10.54 C ATOM 954 O GLN A 67 8.587 -12.327 -3.056 1.00 10.70 O ATOM 955 CB GLN A 67 5.965 -13.807 -3.853 1.00 10.71 C ATOM 956 CG GLN A 67 6.447 -14.882 -4.815 1.00 11.09 C ATOM 957 CD GLN A 67 6.416 -16.270 -4.203 1.00 11.64 C ATOM 958 OE1 GLN A 67 7.397 -16.721 -3.614 1.00 11.68 O ATOM 959 NE2 GLN A 67 5.288 -16.955 -4.325 1.00 12.25 N ATOM 0 H GLN A 67 5.726 -11.986 -2.129 1.00 9.54 H new ATOM 0 HA GLN A 67 6.666 -14.748 -2.048 1.00 10.26 H new ATOM 0 HB2 GLN A 67 4.907 -13.968 -3.644 1.00 10.71 H new ATOM 0 HB3 GLN A 67 6.050 -12.834 -4.338 1.00 10.71 H new ATOM 0 HG2 GLN A 67 5.824 -14.869 -5.709 1.00 11.09 H new ATOM 0 HG3 GLN A 67 7.464 -14.651 -5.132 1.00 11.09 H new ATOM 0 HE21 GLN A 67 4.495 -16.548 -4.821 1.00 12.25 H new ATOM 0 HE22 GLN A 67 5.213 -17.889 -3.923 1.00 12.25 H new ATOM 968 N GLY A 68 9.048 -14.497 -2.673 1.00 10.79 N ATOM 969 CA GLY A 68 10.474 -14.326 -2.892 1.00 11.26 C ATOM 970 C GLY A 68 10.874 -14.694 -4.308 1.00 11.69 C ATOM 971 O GLY A 68 10.082 -14.534 -5.241 1.00 11.72 O ATOM 0 H GLY A 68 8.762 -15.448 -2.441 1.00 10.79 H new ATOM 0 HA2 GLY A 68 10.751 -13.291 -2.694 1.00 11.26 H new ATOM 0 HA3 GLY A 68 11.027 -14.945 -2.185 1.00 11.26 H new ATOM 975 N MET A 69 12.087 -15.201 -4.482 1.00 12.22 N ATOM 976 CA MET A 69 12.551 -15.606 -5.801 1.00 12.82 C ATOM 977 C MET A 69 13.620 -16.685 -5.686 1.00 13.10 C ATOM 978 O MET A 69 14.345 -16.747 -4.698 1.00 13.24 O ATOM 979 CB MET A 69 13.109 -14.408 -6.580 1.00 13.26 C ATOM 980 CG MET A 69 14.343 -13.778 -5.950 1.00 13.52 C ATOM 981 SD MET A 69 15.035 -12.446 -6.952 1.00 14.03 S ATOM 982 CE MET A 69 13.654 -11.305 -6.998 1.00 14.29 C ATOM 0 H MET A 69 12.763 -15.341 -3.731 1.00 12.22 H new ATOM 0 HA MET A 69 11.695 -16.008 -6.344 1.00 12.82 H new ATOM 0 HB2 MET A 69 13.355 -14.729 -7.592 1.00 13.26 H new ATOM 0 HB3 MET A 69 12.331 -13.650 -6.666 1.00 13.26 H new ATOM 0 HG2 MET A 69 14.085 -13.389 -4.965 1.00 13.52 H new ATOM 0 HG3 MET A 69 15.102 -14.546 -5.800 1.00 13.52 H new ATOM 0 HE1 MET A 69 14.026 -10.281 -6.955 1.00 14.29 H new ATOM 0 HE2 MET A 69 13.094 -11.449 -7.922 1.00 14.29 H new ATOM 0 HE3 MET A 69 13.001 -11.489 -6.145 1.00 14.29 H new ATOM 992 N ILE A 70 13.699 -17.538 -6.698 1.00 13.36 N ATOM 993 CA ILE A 70 14.703 -18.601 -6.737 1.00 13.79 C ATOM 994 C ILE A 70 15.642 -18.324 -7.912 1.00 14.28 C ATOM 995 O ILE A 70 16.313 -19.215 -8.434 1.00 14.51 O ATOM 996 CB ILE A 70 14.046 -20.014 -6.898 1.00 13.60 C ATOM 997 CG1 ILE A 70 12.817 -20.130 -5.985 1.00 13.34 C ATOM 998 CG2 ILE A 70 15.038 -21.146 -6.581 1.00 14.13 C ATOM 999 CD1 ILE A 70 12.049 -21.428 -6.155 1.00 13.69 C ATOM 0 H ILE A 70 13.079 -17.517 -7.508 1.00 13.36 H new ATOM 0 HA ILE A 70 15.252 -18.608 -5.795 1.00 13.79 H new ATOM 0 HB ILE A 70 13.742 -20.118 -7.939 1.00 13.60 H new ATOM 0 HG12 ILE A 70 13.137 -20.041 -4.947 1.00 13.34 H new ATOM 0 HG13 ILE A 70 12.147 -19.293 -6.185 1.00 13.34 H new ATOM 0 HG21 ILE A 70 14.543 -22.109 -6.705 1.00 14.13 H new ATOM 0 HG22 ILE A 70 15.888 -21.085 -7.260 1.00 14.13 H new ATOM 0 HG23 ILE A 70 15.387 -21.047 -5.553 1.00 14.13 H new ATOM 0 HD11 ILE A 70 11.195 -21.437 -5.477 1.00 13.69 H new ATOM 0 HD12 ILE A 70 11.697 -21.511 -7.183 1.00 13.69 H new ATOM 0 HD13 ILE A 70 12.702 -22.270 -5.926 1.00 13.69 H new ATOM 1011 N GLN A 71 15.731 -17.048 -8.263 1.00 14.61 N ATOM 1012 CA GLN A 71 16.523 -16.605 -9.405 1.00 15.25 C ATOM 1013 C GLN A 71 17.960 -16.281 -9.003 1.00 16.12 C ATOM 1014 O GLN A 71 18.646 -15.536 -9.698 1.00 16.80 O ATOM 1015 CB GLN A 71 15.878 -15.374 -10.046 1.00 15.18 C ATOM 1016 CG GLN A 71 14.454 -15.607 -10.524 1.00 15.42 C ATOM 1017 CD GLN A 71 13.891 -14.413 -11.264 1.00 15.46 C ATOM 1018 OE1 GLN A 71 14.033 -14.298 -12.481 1.00 15.61 O ATOM 1019 NE2 GLN A 71 13.244 -13.517 -10.531 1.00 15.48 N ATOM 0 H GLN A 71 15.258 -16.292 -7.767 1.00 14.61 H new ATOM 0 HA GLN A 71 16.550 -17.423 -10.125 1.00 15.25 H new ATOM 0 HB2 GLN A 71 15.880 -14.557 -9.325 1.00 15.18 H new ATOM 0 HB3 GLN A 71 16.488 -15.054 -10.891 1.00 15.18 H new ATOM 0 HG2 GLN A 71 14.431 -16.479 -11.177 1.00 15.42 H new ATOM 0 HG3 GLN A 71 13.819 -15.833 -9.668 1.00 15.42 H new ATOM 0 HE21 GLN A 71 13.150 -13.653 -9.524 1.00 15.48 H new ATOM 0 HE22 GLN A 71 12.840 -12.692 -10.974 1.00 15.48 H new ATOM 1028 N GLU A 72 18.409 -16.834 -7.885 1.00 16.21 N ATOM 1029 CA GLU A 72 19.772 -16.601 -7.429 1.00 17.08 C ATOM 1030 C GLU A 72 20.755 -17.386 -8.295 1.00 17.64 C ATOM 1031 O GLU A 72 20.534 -18.564 -8.590 1.00 17.36 O ATOM 1032 CB GLU A 72 19.941 -16.980 -5.954 1.00 17.12 C ATOM 1033 CG GLU A 72 19.043 -16.186 -5.016 1.00 16.82 C ATOM 1034 CD GLU A 72 19.527 -16.215 -3.581 1.00 16.87 C ATOM 1035 OE1 GLU A 72 19.425 -17.286 -2.944 1.00 16.46 O ATOM 1036 OE2 GLU A 72 19.997 -15.174 -3.076 1.00 17.42 O ATOM 0 H GLU A 72 17.855 -17.442 -7.282 1.00 16.21 H new ATOM 0 HA GLU A 72 19.983 -15.536 -7.524 1.00 17.08 H new ATOM 0 HB2 GLU A 72 19.730 -18.043 -5.834 1.00 17.12 H new ATOM 0 HB3 GLU A 72 20.981 -16.827 -5.665 1.00 17.12 H new ATOM 0 HG2 GLU A 72 18.992 -15.152 -5.357 1.00 16.82 H new ATOM 0 HG3 GLU A 72 18.031 -16.587 -5.062 1.00 16.82 H new ATOM 1043 N PRO A 73 21.815 -16.725 -8.776 1.00 18.53 N ATOM 1044 CA PRO A 73 22.818 -17.363 -9.623 1.00 19.22 C ATOM 1045 C PRO A 73 23.794 -18.228 -8.839 1.00 19.49 C ATOM 1046 O PRO A 73 23.690 -18.359 -7.612 1.00 19.26 O ATOM 1047 CB PRO A 73 23.562 -16.181 -10.250 1.00 20.10 C ATOM 1048 CG PRO A 73 23.406 -15.066 -9.263 1.00 20.05 C ATOM 1049 CD PRO A 73 22.092 -15.290 -8.564 1.00 19.04 C ATOM 0 HA PRO A 73 22.355 -18.037 -10.344 1.00 19.22 H new ATOM 0 HB2 PRO A 73 24.613 -16.418 -10.417 1.00 20.10 H new ATOM 0 HB3 PRO A 73 23.138 -15.915 -11.218 1.00 20.10 H new ATOM 0 HG2 PRO A 73 24.229 -15.063 -8.549 1.00 20.05 H new ATOM 0 HG3 PRO A 73 23.417 -14.099 -9.766 1.00 20.05 H new ATOM 0 HD2 PRO A 73 22.158 -15.049 -7.503 1.00 19.04 H new ATOM 0 HD3 PRO A 73 21.304 -14.665 -8.985 1.00 19.04 H new ATOM 1057 N ALA A 74 24.734 -18.823 -9.571 1.00 20.11 N ATOM 1058 CA ALA A 74 25.775 -19.655 -8.994 1.00 20.56 C ATOM 1059 C ALA A 74 25.192 -20.920 -8.388 1.00 20.94 C ATOM 1060 O ALA A 74 24.064 -21.311 -8.698 1.00 20.85 O ATOM 1061 CB ALA A 74 26.574 -18.874 -7.963 1.00 20.34 C ATOM 0 H ALA A 74 24.791 -18.738 -10.586 1.00 20.11 H new ATOM 0 HA ALA A 74 26.452 -19.954 -9.794 1.00 20.56 H new ATOM 0 HB1 ALA A 74 27.349 -19.514 -7.542 1.00 20.34 H new ATOM 0 HB2 ALA A 74 27.037 -18.010 -8.440 1.00 20.34 H new ATOM 0 HB3 ALA A 74 25.910 -18.537 -7.167 1.00 20.34 H new ATOM 1067 N LEU A 75 26.011 -21.607 -7.615 1.00 21.47 N ATOM 1068 CA LEU A 75 25.598 -22.830 -6.943 1.00 21.98 C ATOM 1069 C LEU A 75 24.483 -22.535 -5.942 1.00 22.04 C ATOM 1070 O LEU A 75 24.656 -21.707 -5.047 1.00 21.90 O ATOM 1071 CB LEU A 75 26.780 -23.482 -6.216 1.00 22.62 C ATOM 1072 CG LEU A 75 27.922 -24.005 -7.100 1.00 22.85 C ATOM 1073 CD1 LEU A 75 27.381 -24.898 -8.205 1.00 22.94 C ATOM 1074 CD2 LEU A 75 28.743 -22.866 -7.689 1.00 22.46 C ATOM 0 H LEU A 75 26.978 -21.337 -7.434 1.00 21.47 H new ATOM 0 HA LEU A 75 25.229 -23.521 -7.701 1.00 21.98 H new ATOM 0 HB2 LEU A 75 27.194 -22.755 -5.517 1.00 22.62 H new ATOM 0 HB3 LEU A 75 26.399 -24.313 -5.622 1.00 22.62 H new ATOM 0 HG LEU A 75 28.582 -24.596 -6.465 1.00 22.85 H new ATOM 0 HD11 LEU A 75 28.207 -25.257 -8.819 1.00 22.94 H new ATOM 0 HD12 LEU A 75 26.860 -25.748 -7.764 1.00 22.94 H new ATOM 0 HD13 LEU A 75 26.688 -24.330 -8.825 1.00 22.94 H new ATOM 0 HD21 LEU A 75 29.541 -23.275 -8.308 1.00 22.46 H new ATOM 0 HD22 LEU A 75 28.100 -22.231 -8.299 1.00 22.46 H new ATOM 0 HD23 LEU A 75 29.176 -22.275 -6.882 1.00 22.46 H new ATOM 1086 N PRO A 76 23.298 -23.146 -6.119 1.00 22.33 N ATOM 1087 CA PRO A 76 22.182 -22.969 -5.186 1.00 22.55 C ATOM 1088 C PRO A 76 22.515 -23.547 -3.816 1.00 23.16 C ATOM 1089 O PRO A 76 23.365 -24.436 -3.708 1.00 23.54 O ATOM 1090 CB PRO A 76 21.032 -23.777 -5.831 1.00 22.90 C ATOM 1091 CG PRO A 76 21.424 -23.911 -7.263 1.00 22.69 C ATOM 1092 CD PRO A 76 22.936 -24.027 -7.241 1.00 22.58 C ATOM 0 HA PRO A 76 21.939 -21.918 -5.027 1.00 22.55 H new ATOM 0 HB2 PRO A 76 20.919 -24.752 -5.358 1.00 22.90 H new ATOM 0 HB3 PRO A 76 20.078 -23.260 -5.728 1.00 22.90 H new ATOM 0 HG2 PRO A 76 20.966 -24.789 -7.718 1.00 22.69 H new ATOM 0 HG3 PRO A 76 21.102 -23.047 -7.844 1.00 22.69 H new ATOM 0 HD2 PRO A 76 23.263 -25.053 -7.075 1.00 22.58 H new ATOM 0 HD3 PRO A 76 23.384 -23.697 -8.179 1.00 22.58 H new ATOM 1100 N PRO A 77 21.890 -23.023 -2.746 1.00 23.33 N ATOM 1101 CA PRO A 77 22.094 -23.528 -1.385 1.00 24.01 C ATOM 1102 C PRO A 77 22.013 -25.049 -1.328 1.00 24.77 C ATOM 1103 O PRO A 77 21.034 -25.653 -1.773 1.00 25.03 O ATOM 1104 CB PRO A 77 20.942 -22.882 -0.611 1.00 24.14 C ATOM 1105 CG PRO A 77 20.800 -21.570 -1.284 1.00 23.57 C ATOM 1106 CD PRO A 77 20.967 -21.870 -2.758 1.00 23.01 C ATOM 0 HA PRO A 77 23.078 -23.287 -0.983 1.00 24.01 H new ATOM 0 HB2 PRO A 77 20.028 -23.472 -0.676 1.00 24.14 H new ATOM 0 HB3 PRO A 77 21.176 -22.772 0.448 1.00 24.14 H new ATOM 0 HG2 PRO A 77 19.827 -21.124 -1.079 1.00 23.57 H new ATOM 0 HG3 PRO A 77 21.554 -20.864 -0.936 1.00 23.57 H new ATOM 0 HD2 PRO A 77 20.017 -22.115 -3.233 1.00 23.01 H new ATOM 0 HD3 PRO A 77 21.384 -21.022 -3.300 1.00 23.01 H new ATOM 1114 N GLY A 78 23.065 -25.662 -0.816 1.00 25.21 N ATOM 1115 CA GLY A 78 23.117 -27.110 -0.769 1.00 26.01 C ATOM 1116 C GLY A 78 23.972 -27.723 -1.872 1.00 25.92 C ATOM 1117 O GLY A 78 24.443 -28.853 -1.727 1.00 26.59 O ATOM 0 H GLY A 78 23.883 -25.188 -0.433 1.00 25.21 H new ATOM 0 HA2 GLY A 78 23.510 -27.420 0.199 1.00 26.01 H new ATOM 0 HA3 GLY A 78 22.104 -27.505 -0.844 1.00 26.01 H new ATOM 1121 N TRP A 79 24.128 -27.024 -2.995 1.00 25.19 N ATOM 1122 CA TRP A 79 24.957 -27.531 -4.094 1.00 25.16 C ATOM 1123 C TRP A 79 26.385 -26.999 -3.978 1.00 24.97 C ATOM 1124 O TRP A 79 26.588 -25.804 -3.773 1.00 24.43 O ATOM 1125 CB TRP A 79 24.380 -27.114 -5.451 1.00 24.58 C ATOM 1126 CG TRP A 79 23.091 -27.803 -5.793 1.00 24.92 C ATOM 1127 CD1 TRP A 79 21.843 -27.476 -5.348 1.00 24.92 C ATOM 1128 CD2 TRP A 79 22.923 -28.932 -6.664 1.00 25.44 C ATOM 1129 NE1 TRP A 79 20.914 -28.334 -5.873 1.00 25.41 N ATOM 1130 CE2 TRP A 79 21.548 -29.234 -6.689 1.00 25.73 C ATOM 1131 CE3 TRP A 79 23.798 -29.718 -7.428 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 21.029 -30.288 -7.437 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 23.279 -30.762 -8.173 1.00 26.34 C ATOM 1134 CH2 TRP A 79 21.904 -31.037 -8.174 1.00 26.61 C ATOM 0 H TRP A 79 23.698 -26.116 -3.170 1.00 25.19 H new ATOM 0 HA TRP A 79 24.965 -28.619 -4.026 1.00 25.16 H new ATOM 0 HB2 TRP A 79 24.217 -26.036 -5.452 1.00 24.58 H new ATOM 0 HB3 TRP A 79 25.113 -27.326 -6.229 1.00 24.58 H new ATOM 0 HD1 TRP A 79 21.620 -26.658 -4.678 1.00 24.92 H new ATOM 0 HE1 TRP A 79 19.912 -28.308 -5.687 1.00 25.41 H new ATOM 0 HE3 TRP A 79 24.858 -29.512 -7.435 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 19.971 -30.506 -7.435 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 23.944 -31.375 -8.763 1.00 26.34 H new ATOM 0 HH2 TRP A 79 21.529 -31.857 -8.769 1.00 26.61 H new ATOM 1145 N GLU A 80 27.378 -27.878 -4.093 1.00 25.51 N ATOM 1146 CA GLU A 80 28.765 -27.452 -4.038 1.00 25.50 C ATOM 1147 C GLU A 80 29.491 -27.901 -5.299 1.00 25.52 C ATOM 1148 O GLU A 80 29.194 -28.960 -5.854 1.00 25.91 O ATOM 1149 CB GLU A 80 29.459 -28.011 -2.786 1.00 26.28 C ATOM 1150 CG GLU A 80 28.853 -27.513 -1.486 1.00 26.33 C ATOM 1151 CD GLU A 80 29.657 -27.920 -0.270 1.00 26.69 C ATOM 1152 OE1 GLU A 80 30.442 -27.093 0.230 1.00 26.95 O ATOM 1153 OE2 GLU A 80 29.513 -29.070 0.197 1.00 26.80 O ATOM 0 H GLU A 80 27.245 -28.881 -4.224 1.00 25.51 H new ATOM 0 HA GLU A 80 28.796 -26.364 -3.979 1.00 25.50 H new ATOM 0 HB2 GLU A 80 29.409 -29.100 -2.808 1.00 26.28 H new ATOM 0 HB3 GLU A 80 30.514 -27.740 -2.813 1.00 26.28 H new ATOM 0 HG2 GLU A 80 28.777 -26.426 -1.519 1.00 26.33 H new ATOM 0 HG3 GLU A 80 27.839 -27.900 -1.391 1.00 26.33 H new ATOM 1160 N MET A 81 30.404 -27.071 -5.772 1.00 25.18 N ATOM 1161 CA MET A 81 31.162 -27.374 -6.975 1.00 25.27 C ATOM 1162 C MET A 81 32.645 -27.484 -6.628 1.00 25.77 C ATOM 1163 O MET A 81 33.202 -26.584 -6.001 1.00 25.60 O ATOM 1164 CB MET A 81 30.919 -26.285 -8.032 1.00 24.50 C ATOM 1165 CG MET A 81 31.439 -26.635 -9.424 1.00 24.68 C ATOM 1166 SD MET A 81 33.227 -26.469 -9.592 1.00 24.52 S ATOM 1167 CE MET A 81 33.450 -24.750 -9.131 1.00 24.27 C ATOM 0 H MET A 81 30.640 -26.178 -5.340 1.00 25.18 H new ATOM 0 HA MET A 81 30.833 -28.327 -7.389 1.00 25.27 H new ATOM 0 HB2 MET A 81 29.849 -26.089 -8.095 1.00 24.50 H new ATOM 0 HB3 MET A 81 31.394 -25.361 -7.701 1.00 24.50 H new ATOM 0 HG2 MET A 81 31.154 -27.660 -9.662 1.00 24.68 H new ATOM 0 HG3 MET A 81 30.953 -25.991 -10.157 1.00 24.68 H new ATOM 0 HE1 MET A 81 34.220 -24.302 -9.759 1.00 24.27 H new ATOM 0 HE2 MET A 81 32.512 -24.212 -9.268 1.00 24.27 H new ATOM 0 HE3 MET A 81 33.753 -24.690 -8.086 1.00 24.27 H new ATOM 1177 N LYS A 82 33.284 -28.585 -7.023 1.00 26.46 N ATOM 1178 CA LYS A 82 34.691 -28.801 -6.690 1.00 27.08 C ATOM 1179 C LYS A 82 35.387 -29.505 -7.855 1.00 27.55 C ATOM 1180 O LYS A 82 34.729 -30.125 -8.693 1.00 27.58 O ATOM 1181 CB LYS A 82 34.846 -29.631 -5.392 1.00 27.79 C ATOM 1182 CG LYS A 82 34.108 -29.071 -4.185 1.00 27.45 C ATOM 1183 CD LYS A 82 34.386 -29.900 -2.942 1.00 28.23 C ATOM 1184 CE LYS A 82 33.503 -29.476 -1.777 1.00 28.14 C ATOM 1185 NZ LYS A 82 33.844 -30.202 -0.523 1.00 28.22 N ATOM 0 H LYS A 82 32.855 -29.333 -7.568 1.00 26.46 H new ATOM 0 HA LYS A 82 35.156 -27.831 -6.517 1.00 27.08 H new ATOM 0 HB2 LYS A 82 34.490 -30.644 -5.580 1.00 27.79 H new ATOM 0 HB3 LYS A 82 35.906 -29.706 -5.150 1.00 27.79 H new ATOM 0 HG2 LYS A 82 34.414 -28.039 -4.014 1.00 27.45 H new ATOM 0 HG3 LYS A 82 33.036 -29.056 -4.384 1.00 27.45 H new ATOM 0 HD2 LYS A 82 34.218 -30.954 -3.162 1.00 28.23 H new ATOM 0 HD3 LYS A 82 35.434 -29.796 -2.662 1.00 28.23 H new ATOM 0 HE2 LYS A 82 33.608 -28.403 -1.614 1.00 28.14 H new ATOM 0 HE3 LYS A 82 32.458 -29.659 -2.029 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 33.219 -29.883 0.244 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 33.719 -31.224 -0.669 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 34.833 -30.007 -0.267 1.00 28.22 H new ATOM 1199 N TYR A 83 36.708 -29.370 -7.937 1.00 27.96 N ATOM 1200 CA TYR A 83 37.487 -30.007 -9.005 1.00 28.50 C ATOM 1201 C TYR A 83 38.327 -31.144 -8.432 1.00 29.50 C ATOM 1202 O TYR A 83 38.705 -31.111 -7.260 1.00 29.77 O ATOM 1203 CB TYR A 83 38.421 -28.980 -9.680 1.00 28.32 C ATOM 1204 CG TYR A 83 37.697 -27.822 -10.338 1.00 27.47 C ATOM 1205 CD1 TYR A 83 37.418 -26.660 -9.631 1.00 27.19 C ATOM 1206 CD2 TYR A 83 37.282 -27.899 -11.663 1.00 27.03 C ATOM 1207 CE1 TYR A 83 36.746 -25.610 -10.226 1.00 26.48 C ATOM 1208 CE2 TYR A 83 36.614 -26.854 -12.264 1.00 26.32 C ATOM 1209 CZ TYR A 83 36.393 -25.685 -11.544 1.00 26.04 C ATOM 1210 OH TYR A 83 35.673 -24.672 -12.138 1.00 25.39 O ATOM 0 H TYR A 83 37.265 -28.826 -7.278 1.00 27.96 H new ATOM 0 HA TYR A 83 36.792 -30.401 -9.746 1.00 28.50 H new ATOM 0 HB2 TYR A 83 39.110 -28.586 -8.933 1.00 28.32 H new ATOM 0 HB3 TYR A 83 39.023 -29.491 -10.431 1.00 28.32 H new ATOM 0 HD1 TYR A 83 37.731 -26.576 -8.601 1.00 27.19 H new ATOM 0 HD2 TYR A 83 37.487 -28.794 -12.232 1.00 27.03 H new ATOM 0 HE1 TYR A 83 36.500 -24.730 -9.650 1.00 26.48 H new ATOM 0 HE2 TYR A 83 36.266 -26.942 -13.283 1.00 26.32 H new ATOM 0 HH TYR A 83 35.512 -24.893 -13.079 1.00 25.39 H new ATOM 1220 N THR A 84 38.606 -32.152 -9.246 1.00 30.09 N ATOM 1221 CA THR A 84 39.443 -33.263 -8.818 1.00 31.09 C ATOM 1222 C THR A 84 40.922 -32.861 -8.925 1.00 31.47 C ATOM 1223 O THR A 84 41.234 -31.697 -9.190 1.00 30.98 O ATOM 1224 CB THR A 84 39.179 -34.532 -9.668 1.00 31.69 C ATOM 1225 OG1 THR A 84 39.688 -34.347 -10.996 1.00 31.75 O ATOM 1226 CG2 THR A 84 37.695 -34.847 -9.757 1.00 31.35 C ATOM 0 H THR A 84 38.266 -32.223 -10.205 1.00 30.09 H new ATOM 0 HA THR A 84 39.196 -33.497 -7.782 1.00 31.09 H new ATOM 0 HB THR A 84 39.686 -35.363 -9.178 1.00 31.69 H new ATOM 0 HG1 THR A 84 39.695 -35.207 -11.466 1.00 31.75 H new ATOM 0 HG21 THR A 84 37.549 -35.743 -10.361 1.00 31.35 H new ATOM 0 HG22 THR A 84 37.298 -35.015 -8.756 1.00 31.35 H new ATOM 0 HG23 THR A 84 37.172 -34.009 -10.219 1.00 31.35 H new ATOM 1234 N SER A 85 41.831 -33.818 -8.769 1.00 32.40 N ATOM 1235 CA SER A 85 43.264 -33.534 -8.836 1.00 32.91 C ATOM 1236 C SER A 85 43.772 -33.554 -10.279 1.00 33.07 C ATOM 1237 O SER A 85 44.969 -33.411 -10.537 1.00 33.44 O ATOM 1238 CB SER A 85 44.026 -34.548 -7.988 1.00 33.91 C ATOM 1239 OG SER A 85 43.613 -35.871 -8.289 1.00 34.32 O ATOM 0 H SER A 85 41.603 -34.797 -8.595 1.00 32.40 H new ATOM 0 HA SER A 85 43.435 -32.532 -8.443 1.00 32.91 H new ATOM 0 HB2 SER A 85 45.096 -34.447 -8.168 1.00 33.91 H new ATOM 0 HB3 SER A 85 43.859 -34.342 -6.931 1.00 33.91 H new ATOM 0 HG SER A 85 44.115 -36.505 -7.735 1.00 34.32 H new ATOM 1245 N GLU A 86 42.844 -33.648 -11.216 1.00 32.82 N ATOM 1246 CA GLU A 86 43.178 -33.713 -12.633 1.00 33.03 C ATOM 1247 C GLU A 86 42.517 -32.547 -13.369 1.00 32.13 C ATOM 1248 O GLU A 86 42.691 -32.367 -14.573 1.00 32.23 O ATOM 1249 CB GLU A 86 42.704 -35.065 -13.188 1.00 33.61 C ATOM 1250 CG GLU A 86 43.072 -35.332 -14.638 1.00 34.45 C ATOM 1251 CD GLU A 86 42.929 -36.797 -15.003 1.00 34.93 C ATOM 1252 OE1 GLU A 86 41.805 -37.332 -14.870 1.00 34.87 O ATOM 1253 OE2 GLU A 86 43.922 -37.405 -15.457 1.00 35.43 O ATOM 0 H GLU A 86 41.843 -33.681 -11.020 1.00 32.82 H new ATOM 0 HA GLU A 86 44.255 -33.632 -12.777 1.00 33.03 H new ATOM 0 HB2 GLU A 86 43.122 -35.860 -12.571 1.00 33.61 H new ATOM 0 HB3 GLU A 86 41.620 -35.121 -13.088 1.00 33.61 H new ATOM 0 HG2 GLU A 86 42.435 -34.733 -15.289 1.00 34.45 H new ATOM 0 HG3 GLU A 86 44.099 -35.013 -14.815 1.00 34.45 H new ATOM 1260 N GLY A 87 41.806 -31.715 -12.616 1.00 31.30 N ATOM 1261 CA GLY A 87 41.111 -30.593 -13.212 1.00 30.42 C ATOM 1262 C GLY A 87 39.733 -30.973 -13.715 1.00 30.02 C ATOM 1263 O GLY A 87 39.095 -30.202 -14.435 1.00 29.44 O ATOM 0 H GLY A 87 41.700 -31.799 -11.605 1.00 31.30 H new ATOM 0 HA2 GLY A 87 41.020 -29.793 -12.477 1.00 30.42 H new ATOM 0 HA3 GLY A 87 41.702 -30.200 -14.039 1.00 30.42 H new ATOM 1267 N VAL A 88 39.283 -32.173 -13.359 1.00 30.40 N ATOM 1268 CA VAL A 88 37.963 -32.643 -13.749 1.00 30.17 C ATOM 1269 C VAL A 88 36.910 -32.058 -12.815 1.00 29.38 C ATOM 1270 O VAL A 88 37.133 -31.942 -11.610 1.00 29.40 O ATOM 1271 CB VAL A 88 37.892 -34.184 -13.740 1.00 31.05 C ATOM 1272 CG1 VAL A 88 36.480 -34.676 -14.035 1.00 30.89 C ATOM 1273 CG2 VAL A 88 38.883 -34.751 -14.744 1.00 31.86 C ATOM 0 H VAL A 88 39.817 -32.837 -12.799 1.00 30.40 H new ATOM 0 HA VAL A 88 37.767 -32.308 -14.767 1.00 30.17 H new ATOM 0 HB VAL A 88 38.157 -34.536 -12.743 1.00 31.05 H new ATOM 0 HG11 VAL A 88 36.464 -35.766 -14.021 1.00 30.89 H new ATOM 0 HG12 VAL A 88 35.796 -34.294 -13.278 1.00 30.89 H new ATOM 0 HG13 VAL A 88 36.169 -34.321 -15.017 1.00 30.89 H new ATOM 0 HG21 VAL A 88 38.829 -35.840 -14.734 1.00 31.86 H new ATOM 0 HG22 VAL A 88 38.640 -34.385 -15.742 1.00 31.86 H new ATOM 0 HG23 VAL A 88 39.892 -34.435 -14.478 1.00 31.86 H new ATOM 1283 N ARG A 89 35.778 -31.683 -13.384 1.00 28.74 N ATOM 1284 CA ARG A 89 34.710 -31.018 -12.650 1.00 27.99 C ATOM 1285 C ARG A 89 33.682 -32.018 -12.133 1.00 28.23 C ATOM 1286 O ARG A 89 33.200 -32.850 -12.889 1.00 28.54 O ATOM 1287 CB ARG A 89 34.013 -30.047 -13.594 1.00 27.21 C ATOM 1288 CG ARG A 89 33.191 -28.977 -12.906 1.00 26.48 C ATOM 1289 CD ARG A 89 32.335 -28.241 -13.916 1.00 25.83 C ATOM 1290 NE ARG A 89 32.101 -26.852 -13.548 1.00 25.29 N ATOM 1291 CZ ARG A 89 31.354 -26.020 -14.265 1.00 24.70 C ATOM 1292 NH1 ARG A 89 30.708 -26.461 -15.342 1.00 24.55 N ATOM 1293 NH2 ARG A 89 31.245 -24.751 -13.908 1.00 24.34 N ATOM 0 H ARG A 89 35.571 -31.831 -14.372 1.00 28.74 H new ATOM 0 HA ARG A 89 35.145 -30.500 -11.795 1.00 27.99 H new ATOM 0 HB2 ARG A 89 34.766 -29.564 -14.217 1.00 27.21 H new ATOM 0 HB3 ARG A 89 33.363 -30.613 -14.261 1.00 27.21 H new ATOM 0 HG2 ARG A 89 32.557 -29.430 -12.143 1.00 26.48 H new ATOM 0 HG3 ARG A 89 33.850 -28.274 -12.397 1.00 26.48 H new ATOM 0 HD2 ARG A 89 32.819 -28.277 -14.892 1.00 25.83 H new ATOM 0 HD3 ARG A 89 31.378 -28.752 -14.016 1.00 25.83 H new ATOM 0 HE ARG A 89 32.534 -26.499 -12.694 1.00 25.29 H new ATOM 0 HH11 ARG A 89 30.786 -27.440 -15.618 1.00 24.55 H new ATOM 0 HH12 ARG A 89 30.135 -25.820 -15.891 1.00 24.55 H new ATOM 0 HH21 ARG A 89 31.735 -24.410 -13.081 1.00 24.34 H new ATOM 0 HH22 ARG A 89 30.671 -24.113 -14.460 1.00 24.34 H new ATOM 1307 N TYR A 90 33.342 -31.930 -10.856 1.00 28.18 N ATOM 1308 CA TYR A 90 32.308 -32.784 -10.289 1.00 28.46 C ATOM 1309 C TYR A 90 31.474 -31.977 -9.284 1.00 27.80 C ATOM 1310 O TYR A 90 31.932 -30.942 -8.792 1.00 27.31 O ATOM 1311 CB TYR A 90 32.920 -34.043 -9.648 1.00 29.43 C ATOM 1312 CG TYR A 90 33.683 -33.826 -8.353 1.00 29.57 C ATOM 1313 CD1 TYR A 90 34.986 -33.339 -8.368 1.00 29.65 C ATOM 1314 CD2 TYR A 90 33.092 -34.071 -7.119 1.00 29.70 C ATOM 1315 CE1 TYR A 90 35.675 -33.106 -7.194 1.00 29.86 C ATOM 1316 CE2 TYR A 90 33.779 -33.842 -5.939 1.00 29.91 C ATOM 1317 CZ TYR A 90 35.099 -33.495 -5.977 1.00 30.05 C ATOM 1318 OH TYR A 90 35.751 -33.120 -4.813 1.00 30.27 O ATOM 0 H TYR A 90 33.765 -31.279 -10.194 1.00 28.18 H new ATOM 0 HA TYR A 90 31.648 -33.128 -11.086 1.00 28.46 H new ATOM 0 HB2 TYR A 90 32.118 -34.757 -9.459 1.00 29.43 H new ATOM 0 HB3 TYR A 90 33.593 -34.504 -10.371 1.00 29.43 H new ATOM 0 HD1 TYR A 90 35.467 -33.140 -9.314 1.00 29.65 H new ATOM 0 HD2 TYR A 90 32.080 -34.446 -7.080 1.00 29.70 H new ATOM 0 HE1 TYR A 90 36.644 -32.630 -7.213 1.00 29.86 H new ATOM 0 HE2 TYR A 90 33.272 -33.938 -4.990 1.00 29.91 H new ATOM 0 HH TYR A 90 35.251 -33.449 -4.037 1.00 30.27 H new ATOM 1328 N PHE A 91 30.250 -32.417 -8.994 1.00 27.84 N ATOM 1329 CA PHE A 91 29.381 -31.672 -8.088 1.00 27.29 C ATOM 1330 C PHE A 91 29.106 -32.458 -6.812 1.00 27.91 C ATOM 1331 O PHE A 91 29.192 -33.689 -6.787 1.00 28.69 O ATOM 1332 CB PHE A 91 28.060 -31.294 -8.773 1.00 26.81 C ATOM 1333 CG PHE A 91 28.153 -30.095 -9.682 1.00 26.08 C ATOM 1334 CD1 PHE A 91 27.500 -28.904 -9.389 1.00 25.34 C ATOM 1335 CD2 PHE A 91 28.910 -30.166 -10.841 1.00 26.22 C ATOM 1336 CE1 PHE A 91 27.600 -27.818 -10.237 1.00 24.76 C ATOM 1337 CE2 PHE A 91 29.012 -29.081 -11.689 1.00 25.66 C ATOM 1338 CZ PHE A 91 28.290 -27.861 -11.332 1.00 24.89 C ATOM 0 H PHE A 91 29.843 -33.274 -9.368 1.00 27.84 H new ATOM 0 HA PHE A 91 29.905 -30.755 -7.818 1.00 27.29 H new ATOM 0 HB2 PHE A 91 27.707 -32.148 -9.352 1.00 26.81 H new ATOM 0 HB3 PHE A 91 27.310 -31.097 -8.007 1.00 26.81 H new ATOM 0 HD1 PHE A 91 26.908 -28.826 -8.489 1.00 25.34 H new ATOM 0 HD2 PHE A 91 29.427 -31.082 -11.084 1.00 26.22 H new ATOM 0 HE1 PHE A 91 27.086 -26.904 -9.978 1.00 24.76 H new ATOM 0 HE2 PHE A 91 29.607 -29.132 -12.589 1.00 25.66 H new ATOM 0 HZ PHE A 91 28.332 -26.998 -11.980 1.00 24.89 H new ATOM 1348 N VAL A 92 28.785 -31.736 -5.749 1.00 27.61 N ATOM 1349 CA VAL A 92 28.533 -32.352 -4.456 1.00 28.23 C ATOM 1350 C VAL A 92 27.182 -31.913 -3.889 1.00 27.94 C ATOM 1351 O VAL A 92 26.939 -30.716 -3.714 1.00 27.26 O ATOM 1352 CB VAL A 92 29.639 -31.986 -3.435 1.00 28.37 C ATOM 1353 CG1 VAL A 92 29.397 -32.670 -2.092 1.00 29.13 C ATOM 1354 CG2 VAL A 92 31.018 -32.337 -3.980 1.00 28.67 C ATOM 0 H VAL A 92 28.693 -30.720 -5.757 1.00 27.61 H new ATOM 0 HA VAL A 92 28.528 -33.430 -4.616 1.00 28.23 H new ATOM 0 HB VAL A 92 29.601 -30.909 -3.274 1.00 28.37 H new ATOM 0 HG11 VAL A 92 30.189 -32.395 -1.396 1.00 29.13 H new ATOM 0 HG12 VAL A 92 28.434 -32.353 -1.691 1.00 29.13 H new ATOM 0 HG13 VAL A 92 29.395 -33.751 -2.230 1.00 29.13 H new ATOM 0 HG21 VAL A 92 31.778 -32.071 -3.245 1.00 28.67 H new ATOM 0 HG22 VAL A 92 31.068 -33.407 -4.182 1.00 28.67 H new ATOM 0 HG23 VAL A 92 31.196 -31.785 -4.903 1.00 28.67 H new ATOM 1364 N ASP A 93 26.309 -32.874 -3.611 1.00 28.50 N ATOM 1365 CA ASP A 93 25.020 -32.567 -2.980 1.00 28.42 C ATOM 1366 C ASP A 93 25.224 -32.521 -1.462 1.00 28.86 C ATOM 1367 O ASP A 93 25.288 -33.567 -0.818 1.00 29.70 O ATOM 1368 CB ASP A 93 23.944 -33.624 -3.316 1.00 29.01 C ATOM 1369 CG ASP A 93 23.032 -33.209 -4.455 1.00 28.68 C ATOM 1370 OD1 ASP A 93 22.062 -32.459 -4.199 1.00 28.33 O ATOM 1371 OD2 ASP A 93 23.252 -33.666 -5.595 1.00 28.82 O ATOM 0 H ASP A 93 26.462 -33.863 -3.808 1.00 28.50 H new ATOM 0 HA ASP A 93 24.670 -31.608 -3.361 1.00 28.42 H new ATOM 0 HB2 ASP A 93 24.434 -34.562 -3.576 1.00 29.01 H new ATOM 0 HB3 ASP A 93 23.341 -33.814 -2.428 1.00 29.01 H new ATOM 1376 N HIS A 94 25.380 -31.322 -0.896 1.00 28.36 N ATOM 1377 CA HIS A 94 25.652 -31.160 0.531 1.00 28.81 C ATOM 1378 C HIS A 94 24.400 -31.462 1.357 1.00 29.31 C ATOM 1379 O HIS A 94 24.485 -31.759 2.548 1.00 29.90 O ATOM 1380 CB HIS A 94 26.148 -29.723 0.794 1.00 28.18 C ATOM 1381 CG HIS A 94 26.718 -29.491 2.154 1.00 28.49 C ATOM 1382 ND1 HIS A 94 28.047 -29.226 2.375 1.00 28.32 N ATOM 1383 CD2 HIS A 94 26.123 -29.454 3.360 1.00 29.05 C ATOM 1384 CE1 HIS A 94 28.246 -29.027 3.663 1.00 28.75 C ATOM 1385 NE2 HIS A 94 27.091 -29.161 4.290 1.00 29.20 N ATOM 0 H HIS A 94 25.322 -30.443 -1.411 1.00 28.36 H new ATOM 0 HA HIS A 94 26.426 -31.866 0.832 1.00 28.81 H new ATOM 0 HB2 HIS A 94 26.907 -29.475 0.052 1.00 28.18 H new ATOM 0 HB3 HIS A 94 25.317 -29.034 0.643 1.00 28.18 H new ATOM 0 HD1 HIS A 94 28.768 -29.189 1.655 1.00 28.32 H new ATOM 0 HD2 HIS A 94 25.075 -29.624 3.561 1.00 29.05 H new ATOM 0 HE1 HIS A 94 29.193 -28.794 4.127 1.00 28.75 H new ATOM 1394 N ASN A 95 23.250 -31.479 0.690 1.00 29.17 N ATOM 1395 CA ASN A 95 21.972 -31.709 1.362 1.00 29.71 C ATOM 1396 C ASN A 95 21.793 -33.187 1.717 1.00 30.73 C ATOM 1397 O ASN A 95 21.286 -33.512 2.789 1.00 31.42 O ATOM 1398 CB ASN A 95 20.803 -31.212 0.484 1.00 29.28 C ATOM 1399 CG ASN A 95 20.747 -31.883 -0.876 1.00 29.19 C ATOM 1400 OD1 ASN A 95 20.068 -32.892 -1.057 1.00 29.80 O ATOM 1401 ND2 ASN A 95 21.452 -31.311 -1.843 1.00 28.49 N ATOM 0 H ASN A 95 23.175 -31.336 -0.317 1.00 29.17 H new ATOM 0 HA ASN A 95 21.972 -31.141 2.292 1.00 29.71 H new ATOM 0 HB2 ASN A 95 19.864 -31.389 1.008 1.00 29.28 H new ATOM 0 HB3 ASN A 95 20.893 -30.134 0.346 1.00 29.28 H new ATOM 0 HD21 ASN A 95 21.445 -31.708 -2.783 1.00 28.49 H new ATOM 0 HD22 ASN A 95 22.001 -30.474 -1.647 1.00 28.49 H new ATOM 1408 N THR A 96 22.212 -34.074 0.821 1.00 30.87 N ATOM 1409 CA THR A 96 22.117 -35.506 1.068 1.00 31.86 C ATOM 1410 C THR A 96 23.482 -36.094 1.411 1.00 32.23 C ATOM 1411 O THR A 96 23.583 -37.244 1.834 1.00 33.14 O ATOM 1412 CB THR A 96 21.537 -36.239 -0.155 1.00 31.96 C ATOM 1413 OG1 THR A 96 22.163 -35.757 -1.351 1.00 31.19 O ATOM 1414 CG2 THR A 96 20.033 -36.037 -0.241 1.00 32.02 C ATOM 0 H THR A 96 22.620 -33.826 -0.081 1.00 30.87 H new ATOM 0 HA THR A 96 21.447 -35.646 1.917 1.00 31.86 H new ATOM 0 HB THR A 96 21.735 -37.305 -0.046 1.00 31.96 H new ATOM 0 HG1 THR A 96 22.837 -36.402 -1.650 1.00 31.19 H new ATOM 0 HG21 THR A 96 19.644 -36.564 -1.113 1.00 32.02 H new ATOM 0 HG22 THR A 96 19.561 -36.429 0.660 1.00 32.02 H new ATOM 0 HG23 THR A 96 19.813 -34.973 -0.332 1.00 32.02 H new ATOM 1422 N ARG A 97 24.524 -35.285 1.214 1.00 31.56 N ATOM 1423 CA ARG A 97 25.906 -35.698 1.472 1.00 31.87 C ATOM 1424 C ARG A 97 26.302 -36.844 0.565 1.00 32.27 C ATOM 1425 O ARG A 97 26.775 -37.893 1.006 1.00 33.03 O ATOM 1426 CB ARG A 97 26.100 -36.050 2.937 1.00 32.70 C ATOM 1427 CG ARG A 97 25.937 -34.839 3.816 1.00 32.43 C ATOM 1428 CD ARG A 97 26.523 -35.055 5.194 1.00 33.36 C ATOM 1429 NE ARG A 97 26.509 -33.826 5.984 1.00 33.97 N ATOM 1430 CZ ARG A 97 27.548 -33.391 6.691 1.00 34.73 C ATOM 1431 NH1 ARG A 97 28.698 -34.063 6.672 1.00 35.00 N ATOM 1432 NH2 ARG A 97 27.437 -32.270 7.407 1.00 35.29 N ATOM 0 H ARG A 97 24.435 -34.328 0.872 1.00 31.56 H new ATOM 0 HA ARG A 97 26.564 -34.859 1.247 1.00 31.87 H new ATOM 0 HB2 ARG A 97 25.379 -36.813 3.228 1.00 32.70 H new ATOM 0 HB3 ARG A 97 27.092 -36.477 3.082 1.00 32.70 H new ATOM 0 HG2 ARG A 97 26.421 -33.983 3.347 1.00 32.43 H new ATOM 0 HG3 ARG A 97 24.878 -34.597 3.906 1.00 32.43 H new ATOM 0 HD2 ARG A 97 25.957 -35.828 5.713 1.00 33.36 H new ATOM 0 HD3 ARG A 97 27.547 -35.417 5.102 1.00 33.36 H new ATOM 0 HE ARG A 97 25.654 -33.270 5.994 1.00 33.97 H new ATOM 0 HH11 ARG A 97 28.783 -34.913 6.114 1.00 35.00 H new ATOM 0 HH12 ARG A 97 29.494 -33.728 7.215 1.00 35.00 H new ATOM 0 HH21 ARG A 97 26.559 -31.752 7.410 1.00 35.29 H new ATOM 0 HH22 ARG A 97 28.231 -31.932 7.951 1.00 35.29 H new ATOM 1446 N THR A 98 26.165 -36.579 -0.714 1.00 31.75 N ATOM 1447 CA THR A 98 26.464 -37.549 -1.760 1.00 32.09 C ATOM 1448 C THR A 98 27.166 -36.857 -2.933 1.00 31.35 C ATOM 1449 O THR A 98 27.056 -35.638 -3.087 1.00 30.48 O ATOM 1450 CB THR A 98 25.161 -38.219 -2.263 1.00 32.35 C ATOM 1451 OG1 THR A 98 24.158 -37.215 -2.476 1.00 32.15 O ATOM 1452 CG2 THR A 98 24.642 -39.252 -1.261 1.00 32.59 C ATOM 0 H THR A 98 25.841 -35.679 -1.068 1.00 31.75 H new ATOM 0 HA THR A 98 27.120 -38.313 -1.344 1.00 32.09 H new ATOM 0 HB THR A 98 25.383 -38.733 -3.198 1.00 32.35 H new ATOM 0 HG1 THR A 98 23.367 -37.624 -2.885 1.00 32.15 H new ATOM 0 HG21 THR A 98 23.727 -39.703 -1.645 1.00 32.59 H new ATOM 0 HG22 THR A 98 25.395 -40.027 -1.114 1.00 32.59 H new ATOM 0 HG23 THR A 98 24.434 -38.763 -0.309 1.00 32.59 H new ATOM 1460 N THR A 99 27.897 -37.615 -3.744 1.00 31.74 N ATOM 1461 CA THR A 99 28.572 -37.044 -4.906 1.00 31.18 C ATOM 1462 C THR A 99 27.738 -37.281 -6.167 1.00 31.15 C ATOM 1463 O THR A 99 27.004 -38.269 -6.257 1.00 31.92 O ATOM 1464 CB THR A 99 29.977 -37.673 -5.090 1.00 31.73 C ATOM 1465 OG1 THR A 99 29.906 -39.078 -4.810 1.00 32.77 O ATOM 1466 CG2 THR A 99 31.017 -37.022 -4.163 1.00 31.59 C ATOM 0 H THR A 99 28.037 -38.618 -3.621 1.00 31.74 H new ATOM 0 HA THR A 99 28.686 -35.973 -4.741 1.00 31.18 H new ATOM 0 HB THR A 99 30.291 -37.504 -6.120 1.00 31.73 H new ATOM 0 HG1 THR A 99 30.792 -39.480 -4.927 1.00 32.77 H new ATOM 0 HG21 THR A 99 31.989 -37.490 -4.321 1.00 31.59 H new ATOM 0 HG22 THR A 99 31.086 -35.957 -4.385 1.00 31.59 H new ATOM 0 HG23 THR A 99 30.714 -37.157 -3.125 1.00 31.59 H new ATOM 1474 N THR A 100 27.802 -36.357 -7.119 1.00 30.32 N ATOM 1475 CA THR A 100 27.077 -36.503 -8.364 1.00 30.31 C ATOM 1476 C THR A 100 27.891 -35.889 -9.500 1.00 29.79 C ATOM 1477 O THR A 100 28.719 -35.005 -9.272 1.00 29.19 O ATOM 1478 CB THR A 100 25.665 -35.865 -8.286 1.00 29.94 C ATOM 1479 OG1 THR A 100 24.938 -36.117 -9.497 1.00 30.23 O ATOM 1480 CG2 THR A 100 25.730 -34.364 -8.046 1.00 28.90 C ATOM 0 H THR A 100 28.351 -35.500 -7.047 1.00 30.32 H new ATOM 0 HA THR A 100 26.933 -37.566 -8.557 1.00 30.31 H new ATOM 0 HB THR A 100 25.153 -36.324 -7.440 1.00 29.94 H new ATOM 0 HG1 THR A 100 24.048 -35.711 -9.435 1.00 30.23 H new ATOM 0 HG21 THR A 100 24.719 -33.959 -7.998 1.00 28.90 H new ATOM 0 HG22 THR A 100 26.244 -34.168 -7.105 1.00 28.90 H new ATOM 0 HG23 THR A 100 26.273 -33.888 -8.862 1.00 28.90 H new ATOM 1488 N PHE A 101 27.691 -36.375 -10.711 1.00 30.11 N ATOM 1489 CA PHE A 101 28.472 -35.897 -11.837 1.00 29.74 C ATOM 1490 C PHE A 101 27.552 -35.352 -12.925 1.00 29.28 C ATOM 1491 O PHE A 101 26.942 -36.119 -13.673 1.00 29.75 O ATOM 1492 CB PHE A 101 29.339 -37.036 -12.382 1.00 30.55 C ATOM 1493 CG PHE A 101 30.683 -36.583 -12.865 1.00 30.86 C ATOM 1494 CD1 PHE A 101 30.790 -35.664 -13.890 1.00 30.67 C ATOM 1495 CD2 PHE A 101 31.844 -37.076 -12.284 1.00 31.41 C ATOM 1496 CE1 PHE A 101 32.026 -35.245 -14.331 1.00 31.03 C ATOM 1497 CE2 PHE A 101 33.085 -36.658 -12.724 1.00 31.76 C ATOM 1498 CZ PHE A 101 33.174 -35.740 -13.748 1.00 31.57 C ATOM 0 H PHE A 101 27.003 -37.092 -10.939 1.00 30.11 H new ATOM 0 HA PHE A 101 29.122 -35.088 -11.505 1.00 29.74 H new ATOM 0 HB2 PHE A 101 29.475 -37.784 -11.601 1.00 30.55 H new ATOM 0 HB3 PHE A 101 28.812 -37.523 -13.202 1.00 30.55 H new ATOM 0 HD1 PHE A 101 29.896 -35.270 -14.350 1.00 30.67 H new ATOM 0 HD2 PHE A 101 31.776 -37.794 -11.480 1.00 31.41 H new ATOM 0 HE1 PHE A 101 32.096 -34.527 -15.135 1.00 31.03 H new ATOM 0 HE2 PHE A 101 33.982 -37.049 -12.267 1.00 31.76 H new ATOM 0 HZ PHE A 101 34.142 -35.408 -14.094 1.00 31.57 H new ATOM 1508 N LYS A 102 27.390 -34.035 -12.957 1.00 28.42 N ATOM 1509 CA LYS A 102 26.539 -33.399 -13.945 1.00 27.96 C ATOM 1510 C LYS A 102 27.139 -32.077 -14.432 1.00 27.32 C ATOM 1511 O LYS A 102 27.277 -31.128 -13.661 1.00 26.80 O ATOM 1512 CB LYS A 102 25.141 -33.168 -13.364 1.00 27.61 C ATOM 1513 CG LYS A 102 25.140 -32.454 -12.019 1.00 27.94 C ATOM 1514 CD LYS A 102 23.727 -32.154 -11.544 1.00 27.68 C ATOM 1515 CE LYS A 102 22.935 -31.436 -12.621 1.00 27.51 C ATOM 1516 NZ LYS A 102 21.572 -31.081 -12.168 1.00 27.73 N ATOM 0 H LYS A 102 27.839 -33.389 -12.308 1.00 28.42 H new ATOM 0 HA LYS A 102 26.463 -34.065 -14.804 1.00 27.96 H new ATOM 0 HB2 LYS A 102 24.555 -32.584 -14.074 1.00 27.61 H new ATOM 0 HB3 LYS A 102 24.641 -34.130 -13.253 1.00 27.61 H new ATOM 0 HG2 LYS A 102 25.650 -33.071 -11.279 1.00 27.94 H new ATOM 0 HG3 LYS A 102 25.702 -31.524 -12.100 1.00 27.94 H new ATOM 0 HD2 LYS A 102 23.224 -33.083 -11.276 1.00 27.68 H new ATOM 0 HD3 LYS A 102 23.764 -31.540 -10.644 1.00 27.68 H new ATOM 0 HE2 LYS A 102 23.465 -30.531 -12.917 1.00 27.51 H new ATOM 0 HE3 LYS A 102 22.869 -32.070 -13.505 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 21.067 -30.593 -12.935 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 21.056 -31.946 -11.910 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 21.633 -30.454 -11.340 1.00 27.73 H new ATOM 1530 N ASP A 103 27.538 -32.031 -15.695 1.00 27.47 N ATOM 1531 CA ASP A 103 28.053 -30.798 -16.279 1.00 26.99 C ATOM 1532 C ASP A 103 27.185 -30.394 -17.467 1.00 26.66 C ATOM 1533 O ASP A 103 26.842 -31.229 -18.302 1.00 27.04 O ATOM 1534 CB ASP A 103 29.515 -30.946 -16.712 1.00 27.47 C ATOM 1535 CG ASP A 103 30.103 -29.622 -17.161 1.00 27.51 C ATOM 1536 OD1 ASP A 103 30.722 -28.935 -16.330 1.00 27.33 O ATOM 1537 OD2 ASP A 103 29.973 -29.282 -18.356 1.00 27.82 O ATOM 0 H ASP A 103 27.516 -32.827 -16.333 1.00 27.47 H new ATOM 0 HA ASP A 103 28.016 -30.018 -15.518 1.00 26.99 H new ATOM 0 HB2 ASP A 103 30.102 -31.343 -15.883 1.00 27.47 H new ATOM 0 HB3 ASP A 103 29.583 -31.669 -17.525 1.00 27.47 H new ATOM 1542 N PRO A 104 26.769 -29.121 -17.530 1.00 26.03 N ATOM 1543 CA PRO A 104 25.863 -28.633 -18.574 1.00 25.74 C ATOM 1544 C PRO A 104 26.561 -28.185 -19.859 1.00 26.01 C ATOM 1545 O PRO A 104 25.971 -27.469 -20.668 1.00 25.99 O ATOM 1546 CB PRO A 104 25.210 -27.430 -17.890 1.00 25.14 C ATOM 1547 CG PRO A 104 26.281 -26.882 -17.009 1.00 25.07 C ATOM 1548 CD PRO A 104 27.103 -28.064 -16.557 1.00 25.65 C ATOM 0 HA PRO A 104 25.183 -29.416 -18.909 1.00 25.74 H new ATOM 0 HB2 PRO A 104 24.877 -26.691 -18.618 1.00 25.14 H new ATOM 0 HB3 PRO A 104 24.334 -27.727 -17.314 1.00 25.14 H new ATOM 0 HG2 PRO A 104 26.898 -26.163 -17.548 1.00 25.07 H new ATOM 0 HG3 PRO A 104 25.852 -26.357 -16.155 1.00 25.07 H new ATOM 0 HD2 PRO A 104 28.169 -27.836 -16.565 1.00 25.65 H new ATOM 0 HD3 PRO A 104 26.848 -28.362 -15.540 1.00 25.65 H new ATOM 1556 N ARG A 105 27.804 -28.584 -20.047 1.00 26.35 N ATOM 1557 CA ARG A 105 28.542 -28.199 -21.248 1.00 26.73 C ATOM 1558 C ARG A 105 28.541 -29.338 -22.271 1.00 27.46 C ATOM 1559 O ARG A 105 28.638 -30.509 -21.898 1.00 27.80 O ATOM 1560 CB ARG A 105 29.981 -27.774 -20.911 1.00 26.76 C ATOM 1561 CG ARG A 105 30.123 -26.316 -20.476 1.00 26.26 C ATOM 1562 CD ARG A 105 29.205 -25.971 -19.311 1.00 25.68 C ATOM 1563 NE ARG A 105 29.321 -24.566 -18.907 1.00 25.63 N ATOM 1564 CZ ARG A 105 28.273 -23.782 -18.620 1.00 25.39 C ATOM 1565 NH1 ARG A 105 27.037 -24.238 -18.775 1.00 25.18 N ATOM 1566 NH2 ARG A 105 28.463 -22.532 -18.211 1.00 25.45 N ATOM 0 H ARG A 105 28.325 -29.169 -19.394 1.00 26.35 H new ATOM 0 HA ARG A 105 28.036 -27.339 -21.687 1.00 26.73 H new ATOM 0 HB2 ARG A 105 30.360 -28.416 -20.116 1.00 26.76 H new ATOM 0 HB3 ARG A 105 30.611 -27.943 -21.784 1.00 26.76 H new ATOM 0 HG2 ARG A 105 31.157 -26.123 -20.191 1.00 26.26 H new ATOM 0 HG3 ARG A 105 29.898 -25.663 -21.319 1.00 26.26 H new ATOM 0 HD2 ARG A 105 28.173 -26.182 -19.590 1.00 25.68 H new ATOM 0 HD3 ARG A 105 29.443 -26.612 -18.462 1.00 25.68 H new ATOM 0 HE ARG A 105 30.255 -24.162 -18.841 1.00 25.63 H new ATOM 0 HH11 ARG A 105 26.882 -25.188 -19.113 1.00 25.18 H new ATOM 0 HH12 ARG A 105 26.241 -23.639 -18.556 1.00 25.18 H new ATOM 0 HH21 ARG A 105 29.410 -22.165 -18.114 1.00 25.45 H new ATOM 0 HH22 ARG A 105 27.662 -21.939 -17.994 1.00 25.45 H new ATOM 1580 N PRO A 106 28.421 -29.014 -23.578 1.00 27.81 N ATOM 1581 CA PRO A 106 28.360 -30.026 -24.645 1.00 28.58 C ATOM 1582 C PRO A 106 29.680 -30.774 -24.821 1.00 29.15 C ATOM 1583 O PRO A 106 30.755 -30.168 -24.820 1.00 29.20 O ATOM 1584 CB PRO A 106 28.048 -29.199 -25.903 1.00 28.76 C ATOM 1585 CG PRO A 106 28.579 -27.842 -25.600 1.00 28.29 C ATOM 1586 CD PRO A 106 28.373 -27.638 -24.127 1.00 27.58 C ATOM 0 HA PRO A 106 27.622 -30.798 -24.426 1.00 28.58 H new ATOM 0 HB2 PRO A 106 28.526 -29.624 -26.786 1.00 28.76 H new ATOM 0 HB3 PRO A 106 26.977 -29.170 -26.103 1.00 28.76 H new ATOM 0 HG2 PRO A 106 29.635 -27.769 -25.860 1.00 28.29 H new ATOM 0 HG3 PRO A 106 28.055 -27.080 -26.177 1.00 28.29 H new ATOM 0 HD2 PRO A 106 29.150 -27.007 -23.697 1.00 27.58 H new ATOM 0 HD3 PRO A 106 27.418 -27.155 -23.918 1.00 27.58 H new ATOM 1594 N GLY A 107 29.596 -32.092 -24.967 1.00 29.63 N ATOM 1595 CA GLY A 107 30.787 -32.890 -25.176 1.00 30.26 C ATOM 1596 C GLY A 107 31.285 -33.590 -23.919 1.00 30.07 C ATOM 1597 O GLY A 107 31.812 -34.700 -24.003 1.00 30.61 O ATOM 0 H GLY A 107 28.724 -32.621 -24.944 1.00 29.63 H new ATOM 0 HA2 GLY A 107 30.582 -33.639 -25.941 1.00 30.26 H new ATOM 0 HA3 GLY A 107 31.580 -32.249 -25.562 1.00 30.26 H new ATOM 1601 N PHE A 108 31.078 -32.993 -22.747 1.00 29.36 N ATOM 1602 CA PHE A 108 31.578 -33.590 -21.522 1.00 29.20 C ATOM 1603 C PHE A 108 30.437 -34.282 -20.769 1.00 29.85 C ATOM 1604 O PHE A 108 29.795 -33.687 -19.907 1.00 30.10 O ATOM 1605 CB PHE A 108 32.272 -32.531 -20.644 1.00 29.02 C ATOM 1606 CG PHE A 108 32.967 -33.109 -19.441 1.00 28.90 C ATOM 1607 CD1 PHE A 108 34.285 -33.523 -19.507 1.00 29.07 C ATOM 1608 CD2 PHE A 108 32.286 -33.240 -18.243 1.00 28.70 C ATOM 1609 CE1 PHE A 108 34.910 -34.056 -18.399 1.00 29.04 C ATOM 1610 CE2 PHE A 108 32.908 -33.774 -17.132 1.00 28.68 C ATOM 1611 CZ PHE A 108 34.277 -34.165 -17.233 1.00 28.85 C ATOM 0 H PHE A 108 30.577 -32.113 -22.625 1.00 29.36 H new ATOM 0 HA PHE A 108 32.323 -34.344 -21.775 1.00 29.20 H new ATOM 0 HB2 PHE A 108 33.000 -31.990 -21.249 1.00 29.02 H new ATOM 0 HB3 PHE A 108 31.531 -31.804 -20.311 1.00 29.02 H new ATOM 0 HD1 PHE A 108 34.830 -33.428 -20.435 1.00 29.07 H new ATOM 0 HD2 PHE A 108 31.256 -32.921 -18.177 1.00 28.70 H new ATOM 0 HE1 PHE A 108 35.933 -34.392 -18.479 1.00 29.04 H new ATOM 0 HE2 PHE A 108 32.369 -33.894 -16.204 1.00 28.68 H new ATOM 0 HZ PHE A 108 34.797 -34.548 -16.367 1.00 28.85 H new ATOM 1621 N GLU A 109 30.114 -35.501 -21.189 1.00 30.16 N ATOM 1622 CA GLU A 109 29.071 -36.289 -20.549 1.00 30.84 C ATOM 1623 C GLU A 109 29.372 -37.772 -20.748 1.00 31.39 C ATOM 1624 O GLU A 109 28.972 -38.329 -21.796 1.00 31.70 O ATOM 1625 CB GLU A 109 27.697 -35.936 -21.142 1.00 30.99 C ATOM 1626 CG GLU A 109 26.518 -36.621 -20.459 1.00 31.54 C ATOM 1627 CD GLU A 109 26.311 -36.166 -19.025 1.00 31.75 C ATOM 1628 OE1 GLU A 109 25.838 -35.028 -18.819 1.00 32.01 O ATOM 1629 OE2 GLU A 109 26.641 -36.939 -18.101 1.00 31.74 O ATOM 1630 OXT GLU A 109 30.045 -38.367 -19.883 1.00 31.58 O ATOM 0 H GLU A 109 30.565 -35.966 -21.977 1.00 30.16 H new ATOM 0 HA GLU A 109 29.048 -36.065 -19.482 1.00 30.84 H new ATOM 0 HB2 GLU A 109 27.557 -34.857 -21.084 1.00 30.99 H new ATOM 0 HB3 GLU A 109 27.693 -36.202 -22.199 1.00 30.99 H new ATOM 0 HG2 GLU A 109 25.611 -36.424 -21.030 1.00 31.54 H new ATOM 0 HG3 GLU A 109 26.675 -37.700 -20.472 1.00 31.54 H new TER 1637 GLU A 109