USER MOD reduce.3.24.130724 H: found=0, std=0, add=1513, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1516 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: B 55 THR OG1 : rot -68:sc= 1.65 USER MOD Set 1.2: B 57 SER OG : rot 61:sc= 0.578 USER MOD Set 2.1: B 6 LYS NZ :NH3+ 148:sc= 1.25 (180deg=-0.0111) USER MOD Set 2.2: B 12 THR OG1 : rot 161:sc= 1.05 USER MOD Set 3.1: A 121 CYS SG : rot -19:sc= 0.452 USER MOD Set 3.2: A 125 ASN : amide:sc= 1.3 K(o=1.8,f=0.29) USER MOD Set 4.1: A 116 GLN : amide:sc= 0 X(o=0.99,f=0.53) USER MOD Set 4.2: A 120 HIS : no HD1:sc= 0.993 K(o=0.99,f=-6!) USER MOD Set 5.1: A 66 SER OG : rot -71:sc= 2.22 USER MOD Set 5.2: A 68 THR OG1 : rot 102:sc= 1.24 USER MOD Set 6.1: A 52 THR OG1 : rot 80:sc= 1.57 USER MOD Set 6.2: A 58 HIS : no HE2:sc= 0.00447 K(o=1.6,f=-0.014) USER MOD Set 7.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 60 CYS SG : rot -95:sc= 0.377 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -128:sc= 2.31 (180deg=-0.547) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -38:sc= 0.47 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0223 X(o=-0.022,f=-0.49) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 55 SER OG : rot -120:sc= 1.01 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 80 CYS SG : rot -90:sc= -4.06! USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 1.26 (180deg=0.944) USER MOD Single : A 87 GLN : amide:sc= -0.0733 K(o=-0.073,f=-0.67) USER MOD Single : A 88 CYS SG : rot 13:sc= 0.0359 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 94 TYR OH : rot -133:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.921) USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= 1.18 (180deg=1.01) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0331) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.775 K(o=-0.77,f=-2.2!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 73:sc= 0.11 USER MOD Single : A 123 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.348) USER MOD Single : A 127 CYS SG : rot 81:sc= 1.2 USER MOD Single : A 129 ASN : amide:sc= 1.2 K(o=1.2,f=-3.6!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -163:sc= 0 (180deg=-0.272) USER MOD Single : B 1 MET N :NH3+ 159:sc= 1.24 (180deg=1.05) USER MOD Single : B 2 GLN : amide:sc= -0.695 K(o=-0.69,f=-3.6!) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : B 11 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.14) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : B 25 ASN : amide:sc= 0.562 K(o=0.56,f=-1) USER MOD Single : B 27 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.973) USER MOD Single : B 29 LYS NZ :NH3+ 163:sc= 1.38 (180deg=0.924) USER MOD Single : B 31 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.3!) USER MOD Single : B 33 LYS NZ :NH3+ 179:sc= 0.428 (180deg=0.428) USER MOD Single : B 40 GLN : amide:sc= 1.13 K(o=1.1,f=-0.97) USER MOD Single : B 41 GLN : amide:sc= 0.695 K(o=0.69,f=-3.8!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3.9!) USER MOD Single : B 59 TYR OH : rot 60:sc= 0.991 USER MOD Single : B 60 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1.5!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 114:sc= 0.979 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : +bothHN:sc= -1.33! C(o=-1.3!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 22 11.832 -7.958 -8.995 1.00 45.61 N ATOM 2 CA TYR A 22 11.140 -7.090 -8.018 1.00 43.51 C ATOM 3 C TYR A 22 11.494 -7.528 -6.603 1.00 43.60 C ATOM 4 O TYR A 22 12.125 -8.570 -6.421 1.00 44.61 O ATOM 5 CB TYR A 22 9.623 -7.161 -8.226 1.00 47.56 C ATOM 6 CG TYR A 22 9.194 -7.034 -9.672 1.00 46.63 C ATOM 7 CD1 TYR A 22 9.180 -5.800 -10.309 1.00 50.27 C ATOM 8 CD2 TYR A 22 8.805 -8.152 -10.401 1.00 46.46 C ATOM 9 CE1 TYR A 22 8.789 -5.685 -11.630 1.00 50.44 C ATOM 10 CE2 TYR A 22 8.415 -8.044 -11.721 1.00 48.24 C ATOM 11 CZ TYR A 22 8.409 -6.809 -12.331 1.00 52.62 C ATOM 12 OH TYR A 22 8.021 -6.697 -13.645 1.00 54.99 O ATOM 0 HA TYR A 22 11.464 -6.060 -8.167 1.00 43.51 H new ATOM 0 HB2 TYR A 22 9.256 -8.108 -7.831 1.00 47.56 H new ATOM 0 HB3 TYR A 22 9.149 -6.369 -7.646 1.00 47.56 H new ATOM 0 HD1 TYR A 22 9.479 -4.917 -9.764 1.00 50.27 H new ATOM 0 HD2 TYR A 22 8.808 -9.122 -9.926 1.00 46.46 H new ATOM 0 HE1 TYR A 22 8.781 -4.718 -12.111 1.00 50.44 H new ATOM 0 HE2 TYR A 22 8.116 -8.923 -12.272 1.00 48.24 H new ATOM 0 HH TYR A 22 7.786 -7.582 -13.993 1.00 54.99 H new ATOM 24 N LEU A 23 11.098 -6.735 -5.610 1.00 31.65 N ATOM 25 CA LEU A 23 11.379 -7.062 -4.212 1.00 32.60 C ATOM 26 C LEU A 23 10.734 -8.387 -3.832 1.00 33.92 C ATOM 27 O LEU A 23 11.413 -9.345 -3.461 1.00 33.21 O ATOM 28 CB LEU A 23 10.862 -5.963 -3.279 1.00 31.36 C ATOM 29 CG LEU A 23 11.674 -4.670 -3.259 1.00 32.85 C ATOM 30 CD1 LEU A 23 11.016 -3.659 -2.336 1.00 37.08 C ATOM 31 CD2 LEU A 23 13.105 -4.935 -2.816 1.00 41.11 C ATOM 0 H LEU A 23 10.584 -5.865 -5.745 1.00 31.65 H new ATOM 0 HA LEU A 23 12.461 -7.142 -4.102 1.00 32.60 H new ATOM 0 HB2 LEU A 23 9.838 -5.722 -3.565 1.00 31.36 H new ATOM 0 HB3 LEU A 23 10.824 -6.362 -2.265 1.00 31.36 H new ATOM 0 HG LEU A 23 11.702 -4.264 -4.270 1.00 32.85 H new ATOM 0 HD11 LEU A 23 11.601 -2.739 -2.327 1.00 37.08 H new ATOM 0 HD12 LEU A 23 10.008 -3.444 -2.691 1.00 37.08 H new ATOM 0 HD13 LEU A 23 10.966 -4.067 -1.326 1.00 37.08 H new ATOM 0 HD21 LEU A 23 13.663 -3.999 -2.810 1.00 41.11 H new ATOM 0 HD22 LEU A 23 13.102 -5.362 -1.813 1.00 41.11 H new ATOM 0 HD23 LEU A 23 13.576 -5.634 -3.507 1.00 41.11 H new ATOM 43 N VAL A 24 9.416 -8.430 -3.924 1.00 28.03 N ATOM 44 CA VAL A 24 8.664 -9.630 -3.603 1.00 29.15 C ATOM 45 C VAL A 24 7.842 -10.046 -4.816 1.00 22.96 C ATOM 46 O VAL A 24 7.161 -9.215 -5.418 1.00 24.25 O ATOM 47 CB VAL A 24 7.725 -9.415 -2.393 1.00 32.80 C ATOM 48 CG1 VAL A 24 7.057 -10.722 -1.990 1.00 42.00 C ATOM 49 CG2 VAL A 24 8.484 -8.817 -1.216 1.00 41.63 C ATOM 0 H VAL A 24 8.841 -7.641 -4.221 1.00 28.03 H new ATOM 0 HA VAL A 24 9.375 -10.412 -3.337 1.00 29.15 H new ATOM 0 HB VAL A 24 6.948 -8.710 -2.690 1.00 32.80 H new ATOM 0 HG11 VAL A 24 6.401 -10.548 -1.137 1.00 42.00 H new ATOM 0 HG12 VAL A 24 6.471 -11.104 -2.826 1.00 42.00 H new ATOM 0 HG13 VAL A 24 7.820 -11.452 -1.718 1.00 42.00 H new ATOM 0 HG21 VAL A 24 7.802 -8.675 -0.378 1.00 41.63 H new ATOM 0 HG22 VAL A 24 9.287 -9.492 -0.920 1.00 41.63 H new ATOM 0 HG23 VAL A 24 8.907 -7.855 -1.506 1.00 41.63 H new ATOM 59 N GLU A 25 7.937 -11.313 -5.190 1.00 24.89 N ATOM 60 CA GLU A 25 7.203 -11.834 -6.338 1.00 23.60 C ATOM 61 C GLU A 25 6.832 -13.295 -6.110 1.00 24.58 C ATOM 62 O GLU A 25 7.697 -14.176 -6.102 1.00 25.27 O ATOM 63 CB GLU A 25 8.033 -11.686 -7.624 1.00 29.00 C ATOM 64 CG GLU A 25 9.540 -11.708 -7.397 1.00 33.54 C ATOM 65 CD GLU A 25 10.328 -11.565 -8.682 1.00 42.16 C ATOM 66 OE1 GLU A 25 10.366 -12.534 -9.468 1.00 53.32 O ATOM 67 OE2 GLU A 25 10.921 -10.487 -8.911 1.00 44.93 O ATOM 0 H GLU A 25 8.517 -12.004 -4.714 1.00 24.89 H new ATOM 0 HA GLU A 25 6.287 -11.255 -6.453 1.00 23.60 H new ATOM 0 HB2 GLU A 25 7.768 -12.491 -8.310 1.00 29.00 H new ATOM 0 HB3 GLU A 25 7.763 -10.749 -8.112 1.00 29.00 H new ATOM 0 HG2 GLU A 25 9.812 -10.901 -6.717 1.00 33.54 H new ATOM 0 HG3 GLU A 25 9.816 -12.643 -6.909 1.00 33.54 H new ATOM 74 N PHE A 26 5.545 -13.547 -5.913 1.00 22.47 N ATOM 75 CA PHE A 26 5.058 -14.900 -5.670 1.00 21.66 C ATOM 76 C PHE A 26 3.751 -15.149 -6.411 1.00 24.04 C ATOM 77 O PHE A 26 3.063 -14.211 -6.806 1.00 22.30 O ATOM 78 CB PHE A 26 4.866 -15.143 -4.168 1.00 23.47 C ATOM 79 CG PHE A 26 3.929 -14.168 -3.499 1.00 21.92 C ATOM 80 CD1 PHE A 26 4.400 -12.959 -3.010 1.00 23.12 C ATOM 81 CD2 PHE A 26 2.581 -14.457 -3.363 1.00 22.79 C ATOM 82 CE1 PHE A 26 3.549 -12.061 -2.397 1.00 24.88 C ATOM 83 CE2 PHE A 26 1.725 -13.561 -2.748 1.00 25.76 C ATOM 84 CZ PHE A 26 2.209 -12.362 -2.267 1.00 26.66 C ATOM 0 H PHE A 26 4.818 -12.832 -5.917 1.00 22.47 H new ATOM 0 HA PHE A 26 5.806 -15.598 -6.046 1.00 21.66 H new ATOM 0 HB2 PHE A 26 4.486 -16.154 -4.020 1.00 23.47 H new ATOM 0 HB3 PHE A 26 5.837 -15.092 -3.676 1.00 23.47 H new ATOM 0 HD1 PHE A 26 5.448 -12.716 -3.110 1.00 23.12 H new ATOM 0 HD2 PHE A 26 2.194 -15.392 -3.741 1.00 22.79 H new ATOM 0 HE1 PHE A 26 3.932 -11.124 -2.020 1.00 24.88 H new ATOM 0 HE2 PHE A 26 0.677 -13.800 -2.644 1.00 25.76 H new ATOM 0 HZ PHE A 26 1.540 -11.661 -1.790 1.00 26.66 H new ATOM 94 N ARG A 27 3.415 -16.417 -6.586 1.00 22.71 N ATOM 95 CA ARG A 27 2.197 -16.806 -7.281 1.00 22.16 C ATOM 96 C ARG A 27 1.006 -16.788 -6.332 1.00 22.93 C ATOM 97 O ARG A 27 1.005 -17.469 -5.304 1.00 23.03 O ATOM 98 CB ARG A 27 2.362 -18.198 -7.887 1.00 25.12 C ATOM 99 CG ARG A 27 3.390 -18.259 -9.004 1.00 24.95 C ATOM 100 CD ARG A 27 4.045 -19.626 -9.084 1.00 29.77 C ATOM 101 NE ARG A 27 4.857 -19.910 -7.900 1.00 40.26 N ATOM 102 CZ ARG A 27 6.047 -20.507 -7.934 1.00 43.84 C ATOM 103 NH1 ARG A 27 6.575 -20.885 -9.093 1.00 42.26 N ATOM 104 NH2 ARG A 27 6.708 -20.729 -6.805 1.00 53.40 N ATOM 0 H ARG A 27 3.975 -17.202 -6.253 1.00 22.71 H new ATOM 0 HA ARG A 27 2.012 -16.088 -8.080 1.00 22.16 H new ATOM 0 HB2 ARG A 27 2.651 -18.895 -7.101 1.00 25.12 H new ATOM 0 HB3 ARG A 27 1.399 -18.533 -8.272 1.00 25.12 H new ATOM 0 HG2 ARG A 27 2.910 -18.029 -9.955 1.00 24.95 H new ATOM 0 HG3 ARG A 27 4.153 -17.498 -8.840 1.00 24.95 H new ATOM 0 HD2 ARG A 27 3.276 -20.392 -9.190 1.00 29.77 H new ATOM 0 HD3 ARG A 27 4.671 -19.678 -9.975 1.00 29.77 H new ATOM 0 HE ARG A 27 4.488 -19.633 -6.990 1.00 40.26 H new ATOM 0 HH11 ARG A 27 6.069 -20.718 -9.963 1.00 42.26 H new ATOM 0 HH12 ARG A 27 7.487 -21.342 -9.113 1.00 42.26 H new ATOM 0 HH21 ARG A 27 6.305 -20.443 -5.913 1.00 53.40 H new ATOM 0 HH22 ARG A 27 7.620 -21.186 -6.829 1.00 53.40 H new ATOM 118 N ALA A 28 -0.006 -16.010 -6.685 1.00 21.69 N ATOM 119 CA ALA A 28 -1.204 -15.893 -5.869 1.00 21.30 C ATOM 120 C ALA A 28 -2.376 -15.401 -6.705 1.00 21.54 C ATOM 121 O ALA A 28 -2.221 -14.522 -7.557 1.00 22.17 O ATOM 122 CB ALA A 28 -0.965 -14.955 -4.695 1.00 23.20 C ATOM 0 H ALA A 28 -0.021 -15.448 -7.536 1.00 21.69 H new ATOM 0 HA ALA A 28 -1.446 -16.882 -5.479 1.00 21.30 H new ATOM 0 HB1 ALA A 28 -1.874 -14.881 -4.097 1.00 23.20 H new ATOM 0 HB2 ALA A 28 -0.155 -15.344 -4.078 1.00 23.20 H new ATOM 0 HB3 ALA A 28 -0.695 -13.967 -5.068 1.00 23.20 H new ATOM 128 N GLY A 29 -3.544 -15.968 -6.461 1.00 21.31 N ATOM 129 CA GLY A 29 -4.722 -15.565 -7.193 1.00 23.36 C ATOM 130 C GLY A 29 -5.430 -14.427 -6.501 1.00 24.59 C ATOM 131 O GLY A 29 -5.327 -14.282 -5.286 1.00 24.46 O ATOM 0 H GLY A 29 -3.698 -16.701 -5.768 1.00 21.31 H new ATOM 0 HA2 GLY A 29 -4.441 -15.263 -8.202 1.00 23.36 H new ATOM 0 HA3 GLY A 29 -5.400 -16.413 -7.292 1.00 23.36 H new ATOM 135 N LYS A 30 -6.140 -13.613 -7.257 1.00 23.00 N ATOM 136 CA LYS A 30 -6.852 -12.488 -6.678 1.00 21.15 C ATOM 137 C LYS A 30 -8.351 -12.745 -6.694 1.00 23.64 C ATOM 138 O LYS A 30 -8.814 -13.738 -7.252 1.00 24.84 O ATOM 139 CB LYS A 30 -6.524 -11.200 -7.437 1.00 23.49 C ATOM 140 CG LYS A 30 -7.196 -11.099 -8.799 1.00 27.46 C ATOM 141 CD LYS A 30 -6.880 -9.777 -9.470 1.00 31.74 C ATOM 142 CE LYS A 30 -7.912 -9.421 -10.525 1.00 38.65 C ATOM 143 NZ LYS A 30 -7.549 -8.174 -11.245 1.00 36.43 N ATOM 0 H LYS A 30 -6.240 -13.707 -8.268 1.00 23.00 H new ATOM 0 HA LYS A 30 -6.531 -12.371 -5.643 1.00 21.15 H new ATOM 0 HB2 LYS A 30 -6.824 -10.346 -6.830 1.00 23.49 H new ATOM 0 HB3 LYS A 30 -5.444 -11.133 -7.570 1.00 23.49 H new ATOM 0 HG2 LYS A 30 -6.863 -11.920 -9.433 1.00 27.46 H new ATOM 0 HG3 LYS A 30 -8.275 -11.202 -8.684 1.00 27.46 H new ATOM 0 HD2 LYS A 30 -6.841 -8.988 -8.719 1.00 31.74 H new ATOM 0 HD3 LYS A 30 -5.893 -9.829 -9.930 1.00 31.74 H new ATOM 0 HE2 LYS A 30 -8.002 -10.241 -11.238 1.00 38.65 H new ATOM 0 HE3 LYS A 30 -8.888 -9.299 -10.054 1.00 38.65 H new ATOM 0 HZ1 LYS A 30 -8.354 -7.516 -11.227 1.00 36.43 H new ATOM 0 HZ2 LYS A 30 -6.730 -7.732 -10.782 1.00 36.43 H new ATOM 0 HZ3 LYS A 30 -7.309 -8.400 -12.231 1.00 36.43 H new ATOM 157 N MET A 31 -9.100 -11.861 -6.062 1.00 25.36 N ATOM 158 CA MET A 31 -10.549 -11.975 -6.017 1.00 27.00 C ATOM 159 C MET A 31 -11.172 -10.646 -6.406 1.00 27.82 C ATOM 160 O MET A 31 -10.590 -9.591 -6.163 1.00 32.62 O ATOM 161 CB MET A 31 -11.029 -12.388 -4.621 1.00 24.59 C ATOM 162 CG MET A 31 -10.229 -13.523 -4.003 1.00 24.61 C ATOM 163 SD MET A 31 -11.049 -14.252 -2.573 1.00 26.00 S ATOM 164 CE MET A 31 -9.779 -15.376 -1.999 1.00 24.15 C ATOM 0 H MET A 31 -8.727 -11.050 -5.569 1.00 25.36 H new ATOM 0 HA MET A 31 -10.857 -12.748 -6.721 1.00 27.00 H new ATOM 0 HB2 MET A 31 -10.981 -11.522 -3.961 1.00 24.59 H new ATOM 0 HB3 MET A 31 -12.076 -12.686 -4.681 1.00 24.59 H new ATOM 0 HG2 MET A 31 -10.062 -14.295 -4.754 1.00 24.61 H new ATOM 0 HG3 MET A 31 -9.249 -13.151 -3.704 1.00 24.61 H new ATOM 0 HE1 MET A 31 -10.134 -15.906 -1.115 1.00 24.15 H new ATOM 0 HE2 MET A 31 -9.548 -16.095 -2.784 1.00 24.15 H new ATOM 0 HE3 MET A 31 -8.881 -14.812 -1.748 1.00 24.15 H new ATOM 174 N SER A 32 -12.339 -10.698 -7.019 1.00 25.88 N ATOM 175 CA SER A 32 -13.025 -9.490 -7.439 1.00 31.55 C ATOM 176 C SER A 32 -14.388 -9.388 -6.766 1.00 35.12 C ATOM 177 O SER A 32 -15.077 -10.393 -6.577 1.00 33.62 O ATOM 178 CB SER A 32 -13.181 -9.473 -8.961 1.00 37.48 C ATOM 179 OG SER A 32 -11.924 -9.631 -9.603 1.00 45.53 O ATOM 0 H SER A 32 -12.832 -11.564 -7.238 1.00 25.88 H new ATOM 0 HA SER A 32 -12.427 -8.630 -7.138 1.00 31.55 H new ATOM 0 HB2 SER A 32 -13.854 -10.272 -9.270 1.00 37.48 H new ATOM 0 HB3 SER A 32 -13.637 -8.534 -9.273 1.00 37.48 H new ATOM 0 HG SER A 32 -12.049 -9.619 -10.575 1.00 45.53 H new ATOM 185 N LEU A 33 -14.768 -8.177 -6.391 1.00 42.07 N ATOM 186 CA LEU A 33 -16.051 -7.951 -5.752 1.00 44.29 C ATOM 187 C LEU A 33 -17.139 -7.846 -6.807 1.00 50.09 C ATOM 188 O LEU A 33 -17.405 -6.769 -7.342 1.00 52.46 O ATOM 189 CB LEU A 33 -16.020 -6.688 -4.886 1.00 46.72 C ATOM 190 CG LEU A 33 -15.447 -6.878 -3.480 1.00 51.34 C ATOM 191 CD1 LEU A 33 -13.927 -6.815 -3.501 1.00 57.04 C ATOM 192 CD2 LEU A 33 -16.017 -5.835 -2.533 1.00 54.38 C ATOM 0 H LEU A 33 -14.205 -7.336 -6.519 1.00 42.07 H new ATOM 0 HA LEU A 33 -16.267 -8.797 -5.099 1.00 44.29 H new ATOM 0 HB2 LEU A 33 -15.433 -5.928 -5.401 1.00 46.72 H new ATOM 0 HB3 LEU A 33 -17.035 -6.301 -4.798 1.00 46.72 H new ATOM 0 HG LEU A 33 -15.736 -7.866 -3.121 1.00 51.34 H new ATOM 0 HD11 LEU A 33 -13.543 -6.953 -2.490 1.00 57.04 H new ATOM 0 HD12 LEU A 33 -13.539 -7.603 -4.147 1.00 57.04 H new ATOM 0 HD13 LEU A 33 -13.608 -5.844 -3.881 1.00 57.04 H new ATOM 0 HD21 LEU A 33 -15.601 -5.982 -1.536 1.00 54.38 H new ATOM 0 HD22 LEU A 33 -15.758 -4.838 -2.891 1.00 54.38 H new ATOM 0 HD23 LEU A 33 -17.102 -5.935 -2.492 1.00 54.38 H new ATOM 204 N LYS A 34 -17.735 -8.981 -7.130 1.00 52.69 N ATOM 205 CA LYS A 34 -18.793 -9.037 -8.122 1.00 53.15 C ATOM 206 C LYS A 34 -20.119 -8.653 -7.480 1.00 56.50 C ATOM 207 O LYS A 34 -20.758 -9.473 -6.812 1.00 56.84 O ATOM 208 CB LYS A 34 -18.877 -10.444 -8.720 1.00 2.00 C ATOM 209 CG LYS A 34 -19.802 -10.552 -9.920 1.00 2.00 C ATOM 210 CD LYS A 34 -19.964 -11.998 -10.366 1.00 2.00 C ATOM 211 CE LYS A 34 -20.879 -12.775 -9.430 1.00 2.00 C ATOM 212 NZ LYS A 34 -21.042 -14.190 -9.859 1.00 2.00 N ATOM 0 H LYS A 34 -17.501 -9.883 -6.715 1.00 52.69 H new ATOM 0 HA LYS A 34 -18.572 -8.332 -8.924 1.00 53.15 H new ATOM 0 HB2 LYS A 34 -17.877 -10.762 -9.015 1.00 2.00 H new ATOM 0 HB3 LYS A 34 -19.217 -11.135 -7.949 1.00 2.00 H new ATOM 0 HG2 LYS A 34 -20.777 -10.136 -9.668 1.00 2.00 H new ATOM 0 HG3 LYS A 34 -19.404 -9.958 -10.743 1.00 2.00 H new ATOM 0 HD2 LYS A 34 -20.370 -12.024 -11.377 1.00 2.00 H new ATOM 0 HD3 LYS A 34 -18.987 -12.479 -10.403 1.00 2.00 H new ATOM 0 HE2 LYS A 34 -20.472 -12.747 -8.419 1.00 2.00 H new ATOM 0 HE3 LYS A 34 -21.856 -12.292 -9.394 1.00 2.00 H new ATOM 0 HZ1 LYS A 34 -21.672 -14.684 -9.195 1.00 2.00 H new ATOM 0 HZ2 LYS A 34 -21.454 -14.218 -10.813 1.00 2.00 H new ATOM 0 HZ3 LYS A 34 -20.114 -14.659 -9.869 1.00 2.00 H new ATOM 226 N GLY A 35 -20.507 -7.397 -7.654 1.00 57.85 N ATOM 227 CA GLY A 35 -21.750 -6.907 -7.090 1.00 55.33 C ATOM 228 C GLY A 35 -21.657 -6.721 -5.594 1.00 54.05 C ATOM 229 O GLY A 35 -21.374 -5.627 -5.112 1.00 55.43 O ATOM 0 H GLY A 35 -19.978 -6.702 -8.181 1.00 57.85 H new ATOM 0 HA2 GLY A 35 -22.011 -5.958 -7.558 1.00 55.33 H new ATOM 0 HA3 GLY A 35 -22.553 -7.607 -7.319 1.00 55.33 H new ATOM 233 N THR A 36 -21.884 -7.796 -4.860 1.00 51.72 N ATOM 234 CA THR A 36 -21.827 -7.760 -3.408 1.00 51.05 C ATOM 235 C THR A 36 -21.195 -9.043 -2.869 1.00 46.50 C ATOM 236 O THR A 36 -21.153 -9.274 -1.661 1.00 45.65 O ATOM 237 CB THR A 36 -23.244 -7.571 -2.811 1.00 51.58 C ATOM 238 OG1 THR A 36 -23.174 -7.343 -1.397 1.00 60.43 O ATOM 239 CG2 THR A 36 -24.120 -8.786 -3.090 1.00 49.93 C ATOM 0 H THR A 36 -22.111 -8.711 -5.249 1.00 51.72 H new ATOM 0 HA THR A 36 -21.210 -6.912 -3.110 1.00 51.05 H new ATOM 0 HB THR A 36 -23.690 -6.699 -3.290 1.00 51.58 H new ATOM 0 HG1 THR A 36 -22.466 -7.900 -1.011 1.00 60.43 H new ATOM 0 HG21 THR A 36 -25.109 -8.628 -2.660 1.00 49.93 H new ATOM 0 HG22 THR A 36 -24.211 -8.930 -4.167 1.00 49.93 H new ATOM 0 HG23 THR A 36 -23.668 -9.671 -2.643 1.00 49.93 H new ATOM 247 N THR A 37 -20.682 -9.868 -3.772 1.00 41.86 N ATOM 248 CA THR A 37 -20.074 -11.129 -3.387 1.00 36.46 C ATOM 249 C THR A 37 -18.644 -11.237 -3.911 1.00 36.55 C ATOM 250 O THR A 37 -18.386 -11.017 -5.097 1.00 36.77 O ATOM 251 CB THR A 37 -20.908 -12.309 -3.920 1.00 40.82 C ATOM 252 OG1 THR A 37 -22.305 -12.034 -3.745 1.00 46.77 O ATOM 253 CG2 THR A 37 -20.550 -13.600 -3.200 1.00 40.62 C ATOM 0 H THR A 37 -20.676 -9.684 -4.775 1.00 41.86 H new ATOM 0 HA THR A 37 -20.047 -11.165 -2.298 1.00 36.46 H new ATOM 0 HB THR A 37 -20.686 -12.432 -4.980 1.00 40.82 H new ATOM 0 HG1 THR A 37 -22.832 -12.786 -4.087 1.00 46.77 H new ATOM 0 HG21 THR A 37 -21.154 -14.417 -3.596 1.00 40.62 H new ATOM 0 HG22 THR A 37 -19.494 -13.822 -3.354 1.00 40.62 H new ATOM 0 HG23 THR A 37 -20.746 -13.488 -2.134 1.00 40.62 H new ATOM 261 N VAL A 38 -17.718 -11.568 -3.021 1.00 33.78 N ATOM 262 CA VAL A 38 -16.317 -11.709 -3.388 1.00 28.48 C ATOM 263 C VAL A 38 -16.119 -12.979 -4.208 1.00 29.22 C ATOM 264 O VAL A 38 -16.347 -14.085 -3.720 1.00 31.27 O ATOM 265 CB VAL A 38 -15.408 -11.750 -2.141 1.00 29.43 C ATOM 266 CG1 VAL A 38 -13.939 -11.782 -2.539 1.00 28.05 C ATOM 267 CG2 VAL A 38 -15.697 -10.564 -1.233 1.00 31.46 C ATOM 0 H VAL A 38 -17.914 -11.744 -2.036 1.00 33.78 H new ATOM 0 HA VAL A 38 -16.039 -10.839 -3.983 1.00 28.48 H new ATOM 0 HB VAL A 38 -15.625 -12.665 -1.590 1.00 29.43 H new ATOM 0 HG11 VAL A 38 -13.320 -11.811 -1.642 1.00 28.05 H new ATOM 0 HG12 VAL A 38 -13.745 -12.669 -3.143 1.00 28.05 H new ATOM 0 HG13 VAL A 38 -13.699 -10.890 -3.117 1.00 28.05 H new ATOM 0 HG21 VAL A 38 -15.048 -10.608 -0.359 1.00 31.46 H new ATOM 0 HG22 VAL A 38 -15.512 -9.637 -1.776 1.00 31.46 H new ATOM 0 HG23 VAL A 38 -16.739 -10.596 -0.913 1.00 31.46 H new ATOM 277 N THR A 39 -15.715 -12.815 -5.457 1.00 27.35 N ATOM 278 CA THR A 39 -15.508 -13.945 -6.345 1.00 27.23 C ATOM 279 C THR A 39 -14.025 -14.110 -6.688 1.00 28.27 C ATOM 280 O THR A 39 -13.417 -13.223 -7.289 1.00 28.17 O ATOM 281 CB THR A 39 -16.322 -13.756 -7.637 1.00 32.67 C ATOM 282 OG1 THR A 39 -17.589 -13.161 -7.318 1.00 34.63 O ATOM 283 CG2 THR A 39 -16.546 -15.084 -8.343 1.00 37.07 C ATOM 0 H THR A 39 -15.524 -11.906 -5.879 1.00 27.35 H new ATOM 0 HA THR A 39 -15.845 -14.846 -5.832 1.00 27.23 H new ATOM 0 HB THR A 39 -15.761 -13.104 -8.307 1.00 32.67 H new ATOM 0 HG1 THR A 39 -18.109 -13.038 -8.140 1.00 34.63 H new ATOM 0 HG21 THR A 39 -17.124 -14.920 -9.252 1.00 37.07 H new ATOM 0 HG22 THR A 39 -15.583 -15.527 -8.600 1.00 37.07 H new ATOM 0 HG23 THR A 39 -17.091 -15.759 -7.684 1.00 37.07 H new ATOM 291 N PRO A 40 -13.418 -15.235 -6.285 1.00 26.41 N ATOM 292 CA PRO A 40 -12.006 -15.510 -6.558 1.00 25.74 C ATOM 293 C PRO A 40 -11.740 -15.788 -8.036 1.00 27.33 C ATOM 294 O PRO A 40 -12.571 -16.382 -8.727 1.00 29.54 O ATOM 295 CB PRO A 40 -11.703 -16.763 -5.723 1.00 27.62 C ATOM 296 CG PRO A 40 -12.876 -16.944 -4.819 1.00 30.25 C ATOM 297 CD PRO A 40 -14.045 -16.317 -5.520 1.00 27.97 C ATOM 0 HA PRO A 40 -11.380 -14.654 -6.307 1.00 25.74 H new ATOM 0 HB2 PRO A 40 -11.564 -17.635 -6.363 1.00 27.62 H new ATOM 0 HB3 PRO A 40 -10.784 -16.638 -5.150 1.00 27.62 H new ATOM 0 HG2 PRO A 40 -13.059 -18.001 -4.626 1.00 30.25 H new ATOM 0 HG3 PRO A 40 -12.701 -16.469 -3.854 1.00 30.25 H new ATOM 0 HD2 PRO A 40 -14.557 -17.028 -6.169 1.00 27.97 H new ATOM 0 HD3 PRO A 40 -14.785 -15.939 -4.815 1.00 27.97 H new ATOM 305 N ASP A 41 -10.585 -15.349 -8.515 1.00 27.01 N ATOM 306 CA ASP A 41 -10.198 -15.558 -9.903 1.00 28.40 C ATOM 307 C ASP A 41 -9.599 -16.947 -10.070 1.00 29.86 C ATOM 308 O ASP A 41 -9.073 -17.525 -9.115 1.00 28.83 O ATOM 309 CB ASP A 41 -9.190 -14.494 -10.344 1.00 28.84 C ATOM 310 CG ASP A 41 -9.258 -14.205 -11.831 1.00 32.16 C ATOM 311 OD1 ASP A 41 -8.944 -15.106 -12.637 1.00 34.80 O ATOM 312 OD2 ASP A 41 -9.620 -13.071 -12.201 1.00 35.13 O ATOM 0 H ASP A 41 -9.896 -14.843 -7.959 1.00 27.01 H new ATOM 0 HA ASP A 41 -11.086 -15.474 -10.530 1.00 28.40 H new ATOM 0 HB2 ASP A 41 -9.374 -13.573 -9.790 1.00 28.84 H new ATOM 0 HB3 ASP A 41 -8.183 -14.824 -10.088 1.00 28.84 H new ATOM 317 N LYS A 42 -9.678 -17.480 -11.278 1.00 30.36 N ATOM 318 CA LYS A 42 -9.155 -18.807 -11.561 1.00 30.52 C ATOM 319 C LYS A 42 -7.860 -18.732 -12.360 1.00 29.13 C ATOM 320 O LYS A 42 -7.197 -19.748 -12.576 1.00 33.35 O ATOM 321 CB LYS A 42 -10.189 -19.629 -12.329 1.00 34.43 C ATOM 322 CG LYS A 42 -11.507 -19.795 -11.589 1.00 40.16 C ATOM 323 CD LYS A 42 -12.531 -20.533 -12.436 1.00 53.68 C ATOM 324 CE LYS A 42 -13.839 -20.725 -11.685 1.00 57.99 C ATOM 325 NZ LYS A 42 -14.882 -21.361 -12.534 1.00 50.24 N ATOM 0 H LYS A 42 -10.100 -17.013 -12.080 1.00 30.36 H new ATOM 0 HA LYS A 42 -8.942 -19.292 -10.608 1.00 30.52 H new ATOM 0 HB2 LYS A 42 -10.379 -19.151 -13.290 1.00 34.43 H new ATOM 0 HB3 LYS A 42 -9.774 -20.615 -12.540 1.00 34.43 H new ATOM 0 HG2 LYS A 42 -11.338 -20.342 -10.661 1.00 40.16 H new ATOM 0 HG3 LYS A 42 -11.898 -18.815 -11.315 1.00 40.16 H new ATOM 0 HD2 LYS A 42 -12.716 -19.975 -13.354 1.00 53.68 H new ATOM 0 HD3 LYS A 42 -12.132 -21.504 -12.728 1.00 53.68 H new ATOM 0 HE2 LYS A 42 -13.664 -21.342 -10.804 1.00 57.99 H new ATOM 0 HE3 LYS A 42 -14.199 -19.759 -11.331 1.00 57.99 H new ATOM 0 HZ1 LYS A 42 -15.757 -21.473 -11.983 1.00 50.24 H new ATOM 0 HZ2 LYS A 42 -15.069 -20.761 -13.362 1.00 50.24 H new ATOM 0 HZ3 LYS A 42 -14.550 -22.294 -12.851 1.00 50.24 H new ATOM 339 N ARG A 43 -7.496 -17.533 -12.790 1.00 27.87 N ATOM 340 CA ARG A 43 -6.283 -17.344 -13.575 1.00 26.95 C ATOM 341 C ARG A 43 -5.039 -17.452 -12.703 1.00 27.24 C ATOM 342 O ARG A 43 -5.043 -17.062 -11.534 1.00 26.67 O ATOM 343 CB ARG A 43 -6.307 -15.994 -14.290 1.00 29.39 C ATOM 344 CG ARG A 43 -7.305 -15.933 -15.433 1.00 31.56 C ATOM 345 CD ARG A 43 -7.491 -14.513 -15.931 1.00 30.38 C ATOM 346 NE ARG A 43 -7.958 -13.620 -14.874 1.00 29.25 N ATOM 347 CZ ARG A 43 -7.779 -12.302 -14.881 1.00 29.05 C ATOM 348 NH1 ARG A 43 -7.143 -11.713 -15.884 1.00 37.71 N ATOM 349 NH2 ARG A 43 -8.237 -11.568 -13.881 1.00 30.67 N ATOM 0 H ARG A 43 -8.021 -16.677 -12.610 1.00 27.87 H new ATOM 0 HA ARG A 43 -6.247 -18.137 -14.322 1.00 26.95 H new ATOM 0 HB2 ARG A 43 -6.545 -15.213 -13.568 1.00 29.39 H new ATOM 0 HB3 ARG A 43 -5.311 -15.778 -14.676 1.00 29.39 H new ATOM 0 HG2 ARG A 43 -6.961 -16.565 -16.252 1.00 31.56 H new ATOM 0 HG3 ARG A 43 -8.264 -16.333 -15.102 1.00 31.56 H new ATOM 0 HD2 ARG A 43 -6.547 -14.142 -16.329 1.00 30.38 H new ATOM 0 HD3 ARG A 43 -8.207 -14.508 -16.753 1.00 30.38 H new ATOM 0 HE ARG A 43 -8.451 -14.032 -14.082 1.00 29.25 H new ATOM 0 HH11 ARG A 43 -6.786 -12.271 -16.659 1.00 37.71 H new ATOM 0 HH12 ARG A 43 -7.011 -10.702 -15.880 1.00 37.71 H new ATOM 0 HH21 ARG A 43 -8.727 -12.013 -13.105 1.00 30.67 H new ATOM 0 HH22 ARG A 43 -8.100 -10.557 -13.886 1.00 30.67 H new ATOM 363 N LYS A 44 -3.979 -17.995 -13.281 1.00 27.38 N ATOM 364 CA LYS A 44 -2.721 -18.162 -12.576 1.00 24.82 C ATOM 365 C LYS A 44 -1.906 -16.878 -12.645 1.00 25.07 C ATOM 366 O LYS A 44 -1.145 -16.662 -13.587 1.00 25.72 O ATOM 367 CB LYS A 44 -1.929 -19.325 -13.176 1.00 31.68 C ATOM 368 CG LYS A 44 -2.713 -20.627 -13.236 1.00 36.95 C ATOM 369 CD LYS A 44 -1.886 -21.762 -13.819 1.00 40.69 C ATOM 370 CE LYS A 44 -1.458 -21.476 -15.248 1.00 45.64 C ATOM 371 NZ LYS A 44 -0.975 -22.701 -15.936 1.00 49.09 N ATOM 0 H LYS A 44 -3.967 -18.330 -14.245 1.00 27.38 H new ATOM 0 HA LYS A 44 -2.932 -18.386 -11.530 1.00 24.82 H new ATOM 0 HB2 LYS A 44 -1.610 -19.056 -14.183 1.00 31.68 H new ATOM 0 HB3 LYS A 44 -1.026 -19.481 -12.587 1.00 31.68 H new ATOM 0 HG2 LYS A 44 -3.044 -20.897 -12.233 1.00 36.95 H new ATOM 0 HG3 LYS A 44 -3.609 -20.484 -13.840 1.00 36.95 H new ATOM 0 HD2 LYS A 44 -1.003 -21.922 -13.201 1.00 40.69 H new ATOM 0 HD3 LYS A 44 -2.466 -22.685 -13.792 1.00 40.69 H new ATOM 0 HE2 LYS A 44 -2.298 -21.056 -15.801 1.00 45.64 H new ATOM 0 HE3 LYS A 44 -0.668 -20.725 -15.247 1.00 45.64 H new ATOM 0 HZ1 LYS A 44 -0.692 -22.464 -16.908 1.00 49.09 H new ATOM 0 HZ2 LYS A 44 -0.158 -23.088 -15.422 1.00 49.09 H new ATOM 0 HZ3 LYS A 44 -1.736 -23.409 -15.959 1.00 49.09 H new ATOM 385 N GLY A 45 -2.087 -16.018 -11.656 1.00 25.23 N ATOM 386 CA GLY A 45 -1.365 -14.767 -11.626 1.00 22.86 C ATOM 387 C GLY A 45 -0.341 -14.719 -10.515 1.00 20.43 C ATOM 388 O GLY A 45 -0.264 -15.633 -9.690 1.00 22.06 O ATOM 0 H GLY A 45 -2.723 -16.165 -10.872 1.00 25.23 H new ATOM 0 HA2 GLY A 45 -0.866 -14.616 -12.583 1.00 22.86 H new ATOM 0 HA3 GLY A 45 -2.071 -13.946 -11.501 1.00 22.86 H new ATOM 392 N LEU A 46 0.448 -13.660 -10.497 1.00 20.38 N ATOM 393 CA LEU A 46 1.472 -13.487 -9.487 1.00 20.77 C ATOM 394 C LEU A 46 1.406 -12.084 -8.903 1.00 23.10 C ATOM 395 O LEU A 46 0.999 -11.135 -9.576 1.00 23.65 O ATOM 396 CB LEU A 46 2.864 -13.743 -10.075 1.00 23.04 C ATOM 397 CG LEU A 46 3.490 -12.561 -10.829 1.00 26.36 C ATOM 398 CD1 LEU A 46 4.924 -12.338 -10.375 1.00 27.21 C ATOM 399 CD2 LEU A 46 3.436 -12.796 -12.332 1.00 26.03 C ATOM 0 H LEU A 46 0.397 -12.902 -11.177 1.00 20.38 H new ATOM 0 HA LEU A 46 1.292 -14.212 -8.693 1.00 20.77 H new ATOM 0 HB2 LEU A 46 3.534 -14.031 -9.265 1.00 23.04 H new ATOM 0 HB3 LEU A 46 2.802 -14.593 -10.754 1.00 23.04 H new ATOM 0 HG LEU A 46 2.914 -11.664 -10.601 1.00 26.36 H new ATOM 0 HD11 LEU A 46 5.352 -11.496 -10.920 1.00 27.21 H new ATOM 0 HD12 LEU A 46 4.938 -12.123 -9.306 1.00 27.21 H new ATOM 0 HD13 LEU A 46 5.512 -13.234 -10.573 1.00 27.21 H new ATOM 0 HD21 LEU A 46 3.884 -11.948 -12.849 1.00 26.03 H new ATOM 0 HD22 LEU A 46 3.987 -13.704 -12.578 1.00 26.03 H new ATOM 0 HD23 LEU A 46 2.398 -12.905 -12.646 1.00 26.03 H new ATOM 411 N VAL A 47 1.802 -11.971 -7.651 1.00 21.70 N ATOM 412 CA VAL A 47 1.815 -10.696 -6.958 1.00 22.89 C ATOM 413 C VAL A 47 3.249 -10.208 -6.843 1.00 23.42 C ATOM 414 O VAL A 47 4.104 -10.912 -6.301 1.00 22.22 O ATOM 415 CB VAL A 47 1.201 -10.805 -5.542 1.00 20.99 C ATOM 416 CG1 VAL A 47 1.331 -9.486 -4.794 1.00 24.03 C ATOM 417 CG2 VAL A 47 -0.256 -11.233 -5.617 1.00 19.99 C ATOM 0 H VAL A 47 2.123 -12.757 -7.086 1.00 21.70 H new ATOM 0 HA VAL A 47 1.212 -9.993 -7.533 1.00 22.89 H new ATOM 0 HB VAL A 47 1.754 -11.567 -4.992 1.00 20.99 H new ATOM 0 HG11 VAL A 47 0.893 -9.586 -3.801 1.00 24.03 H new ATOM 0 HG12 VAL A 47 2.385 -9.223 -4.701 1.00 24.03 H new ATOM 0 HG13 VAL A 47 0.809 -8.703 -5.344 1.00 24.03 H new ATOM 0 HG21 VAL A 47 -0.667 -11.303 -4.610 1.00 19.99 H new ATOM 0 HG22 VAL A 47 -0.822 -10.498 -6.190 1.00 19.99 H new ATOM 0 HG23 VAL A 47 -0.325 -12.205 -6.105 1.00 19.99 H new ATOM 427 N TYR A 48 3.522 -9.020 -7.358 1.00 22.85 N ATOM 428 CA TYR A 48 4.865 -8.478 -7.298 1.00 23.49 C ATOM 429 C TYR A 48 4.856 -7.054 -6.761 1.00 21.86 C ATOM 430 O TYR A 48 3.939 -6.276 -7.031 1.00 23.94 O ATOM 431 CB TYR A 48 5.547 -8.542 -8.676 1.00 25.01 C ATOM 432 CG TYR A 48 5.036 -7.538 -9.693 1.00 28.77 C ATOM 433 CD1 TYR A 48 3.956 -7.840 -10.513 1.00 30.08 C ATOM 434 CD2 TYR A 48 5.646 -6.297 -9.843 1.00 31.32 C ATOM 435 CE1 TYR A 48 3.497 -6.931 -11.449 1.00 31.24 C ATOM 436 CE2 TYR A 48 5.192 -5.386 -10.777 1.00 31.62 C ATOM 437 CZ TYR A 48 4.119 -5.707 -11.577 1.00 33.90 C ATOM 438 OH TYR A 48 3.666 -4.800 -12.508 1.00 40.45 O ATOM 0 H TYR A 48 2.837 -8.419 -7.817 1.00 22.85 H new ATOM 0 HA TYR A 48 5.443 -9.093 -6.608 1.00 23.49 H new ATOM 0 HB2 TYR A 48 6.618 -8.388 -8.542 1.00 25.01 H new ATOM 0 HB3 TYR A 48 5.418 -9.545 -9.082 1.00 25.01 H new ATOM 0 HD1 TYR A 48 3.468 -8.799 -10.418 1.00 30.08 H new ATOM 0 HD2 TYR A 48 6.489 -6.041 -9.218 1.00 31.32 H new ATOM 0 HE1 TYR A 48 2.654 -7.179 -12.077 1.00 31.24 H new ATOM 0 HE2 TYR A 48 5.677 -4.426 -10.879 1.00 31.62 H new ATOM 0 HH TYR A 48 4.214 -3.988 -12.467 1.00 40.45 H new ATOM 448 N ILE A 49 5.870 -6.733 -5.976 1.00 22.39 N ATOM 449 CA ILE A 49 6.005 -5.409 -5.402 1.00 23.58 C ATOM 450 C ILE A 49 7.183 -4.684 -6.034 1.00 27.61 C ATOM 451 O ILE A 49 8.344 -5.045 -5.813 1.00 27.30 O ATOM 452 CB ILE A 49 6.206 -5.465 -3.874 1.00 25.90 C ATOM 453 CG1 ILE A 49 5.100 -6.299 -3.220 1.00 27.10 C ATOM 454 CG2 ILE A 49 6.228 -4.058 -3.293 1.00 27.09 C ATOM 455 CD1 ILE A 49 5.255 -6.443 -1.722 1.00 25.36 C ATOM 0 H ILE A 49 6.617 -7.379 -5.721 1.00 22.39 H new ATOM 0 HA ILE A 49 5.080 -4.870 -5.606 1.00 23.58 H new ATOM 0 HB ILE A 49 7.164 -5.941 -3.666 1.00 25.90 H new ATOM 0 HG12 ILE A 49 4.135 -5.839 -3.434 1.00 27.10 H new ATOM 0 HG13 ILE A 49 5.088 -7.291 -3.673 1.00 27.10 H new ATOM 0 HG21 ILE A 49 6.371 -4.112 -2.214 1.00 27.09 H new ATOM 0 HG22 ILE A 49 7.046 -3.493 -3.739 1.00 27.09 H new ATOM 0 HG23 ILE A 49 5.283 -3.560 -3.510 1.00 27.09 H new ATOM 0 HD11 ILE A 49 4.437 -7.045 -1.328 1.00 25.36 H new ATOM 0 HD12 ILE A 49 6.204 -6.930 -1.500 1.00 25.36 H new ATOM 0 HD13 ILE A 49 5.236 -5.457 -1.258 1.00 25.36 H new ATOM 467 N GLN A 50 6.879 -3.677 -6.833 1.00 27.71 N ATOM 468 CA GLN A 50 7.906 -2.901 -7.499 1.00 32.14 C ATOM 469 C GLN A 50 8.133 -1.588 -6.765 1.00 32.00 C ATOM 470 O GLN A 50 7.357 -0.639 -6.903 1.00 30.85 O ATOM 471 CB GLN A 50 7.527 -2.630 -8.956 1.00 36.37 C ATOM 472 CG GLN A 50 8.675 -2.075 -9.788 1.00 39.34 C ATOM 473 CD GLN A 50 8.235 -1.645 -11.173 1.00 45.99 C ATOM 474 OE1 GLN A 50 7.267 -2.168 -11.722 1.00 55.21 O ATOM 475 NE2 GLN A 50 8.943 -0.691 -11.752 1.00 53.40 N ATOM 0 H GLN A 50 5.925 -3.378 -7.036 1.00 27.71 H new ATOM 0 HA GLN A 50 8.830 -3.479 -7.487 1.00 32.14 H new ATOM 0 HB2 GLN A 50 7.174 -3.556 -9.410 1.00 36.37 H new ATOM 0 HB3 GLN A 50 6.696 -1.925 -8.982 1.00 36.37 H new ATOM 0 HG2 GLN A 50 9.116 -1.223 -9.270 1.00 39.34 H new ATOM 0 HG3 GLN A 50 9.454 -2.832 -9.877 1.00 39.34 H new ATOM 0 HE21 GLN A 50 9.740 -0.281 -11.265 1.00 53.40 H new ATOM 0 HE22 GLN A 50 8.692 -0.365 -12.685 1.00 53.40 H new ATOM 484 N GLN A 51 9.185 -1.546 -5.967 1.00 32.95 N ATOM 485 CA GLN A 51 9.519 -0.348 -5.222 1.00 32.74 C ATOM 486 C GLN A 51 10.392 0.557 -6.081 1.00 36.30 C ATOM 487 O GLN A 51 11.602 0.353 -6.194 1.00 38.61 O ATOM 488 CB GLN A 51 10.237 -0.707 -3.920 1.00 33.49 C ATOM 489 CG GLN A 51 10.427 0.472 -2.979 1.00 36.02 C ATOM 490 CD GLN A 51 11.141 0.085 -1.699 1.00 40.59 C ATOM 491 OE1 GLN A 51 10.379 -0.283 -0.680 1.00 47.50 O flip ATOM 492 NE2 GLN A 51 12.368 0.120 -1.627 1.00 36.66 N flip ATOM 0 H GLN A 51 9.822 -2.329 -5.819 1.00 32.95 H new ATOM 0 HA GLN A 51 8.600 0.180 -4.966 1.00 32.74 H new ATOM 0 HB2 GLN A 51 9.670 -1.483 -3.405 1.00 33.49 H new ATOM 0 HB3 GLN A 51 11.213 -1.130 -4.159 1.00 33.49 H new ATOM 0 HG2 GLN A 51 10.996 1.250 -3.487 1.00 36.02 H new ATOM 0 HG3 GLN A 51 9.454 0.897 -2.734 1.00 36.02 H new ATOM 0 HE21 GLN A 51 12.918 0.409 -2.436 1.00 36.66 H new ATOM 0 HE22 GLN A 51 12.836 -0.140 -0.759 1.00 36.66 H new ATOM 501 N THR A 52 9.765 1.531 -6.712 1.00 32.79 N ATOM 502 CA THR A 52 10.465 2.466 -7.570 1.00 35.62 C ATOM 503 C THR A 52 11.074 3.603 -6.751 1.00 34.85 C ATOM 504 O THR A 52 10.722 3.791 -5.583 1.00 33.85 O ATOM 505 CB THR A 52 9.500 3.028 -8.623 1.00 36.57 C ATOM 506 OG1 THR A 52 8.149 2.866 -8.164 1.00 36.03 O ATOM 507 CG2 THR A 52 9.678 2.315 -9.954 1.00 36.33 C ATOM 0 H THR A 52 8.761 1.696 -6.645 1.00 32.79 H new ATOM 0 HA THR A 52 11.275 1.937 -8.072 1.00 35.62 H new ATOM 0 HB THR A 52 9.718 4.086 -8.768 1.00 36.57 H new ATOM 0 HG1 THR A 52 7.934 3.575 -7.522 1.00 36.03 H new ATOM 0 HG21 THR A 52 8.984 2.730 -10.685 1.00 36.33 H new ATOM 0 HG22 THR A 52 10.700 2.452 -10.306 1.00 36.33 H new ATOM 0 HG23 THR A 52 9.478 1.251 -9.827 1.00 36.33 H new ATOM 515 N ASP A 53 11.981 4.359 -7.361 1.00 40.95 N ATOM 516 CA ASP A 53 12.643 5.467 -6.674 1.00 43.16 C ATOM 517 C ASP A 53 11.693 6.654 -6.488 1.00 43.44 C ATOM 518 O ASP A 53 12.030 7.647 -5.840 1.00 42.75 O ATOM 519 CB ASP A 53 13.913 5.887 -7.430 1.00 50.66 C ATOM 520 CG ASP A 53 13.748 7.150 -8.251 1.00 58.97 C ATOM 521 OD1 ASP A 53 13.205 7.074 -9.372 1.00 70.66 O ATOM 522 OD2 ASP A 53 14.183 8.224 -7.787 1.00 70.60 O ATOM 0 H ASP A 53 12.276 4.227 -8.329 1.00 40.95 H new ATOM 0 HA ASP A 53 12.934 5.124 -5.681 1.00 43.16 H new ATOM 0 HB2 ASP A 53 14.720 6.035 -6.712 1.00 50.66 H new ATOM 0 HB3 ASP A 53 14.218 5.074 -8.089 1.00 50.66 H new ATOM 527 N ASP A 54 10.492 6.535 -7.040 1.00 39.48 N ATOM 528 CA ASP A 54 9.478 7.579 -6.918 1.00 39.12 C ATOM 529 C ASP A 54 8.837 7.535 -5.531 1.00 37.04 C ATOM 530 O ASP A 54 7.926 8.313 -5.229 1.00 37.46 O ATOM 531 CB ASP A 54 8.404 7.438 -8.008 1.00 40.13 C ATOM 532 CG ASP A 54 7.789 6.049 -8.086 1.00 38.54 C ATOM 533 OD1 ASP A 54 7.946 5.255 -7.130 1.00 36.07 O ATOM 534 OD2 ASP A 54 7.144 5.740 -9.112 1.00 42.19 O ATOM 0 H ASP A 54 10.194 5.722 -7.579 1.00 39.48 H new ATOM 0 HA ASP A 54 9.968 8.544 -7.050 1.00 39.12 H new ATOM 0 HB2 ASP A 54 7.614 8.165 -7.823 1.00 40.13 H new ATOM 0 HB3 ASP A 54 8.845 7.685 -8.974 1.00 40.13 H new ATOM 539 N SER A 55 9.328 6.604 -4.705 1.00 33.99 N ATOM 540 CA SER A 55 8.858 6.412 -3.335 1.00 31.71 C ATOM 541 C SER A 55 7.444 5.839 -3.311 1.00 28.99 C ATOM 542 O SER A 55 6.749 5.915 -2.299 1.00 29.99 O ATOM 543 CB SER A 55 8.924 7.728 -2.549 1.00 40.69 C ATOM 544 OG SER A 55 10.174 8.375 -2.746 1.00 39.56 O ATOM 0 H SER A 55 10.070 5.958 -4.975 1.00 33.99 H new ATOM 0 HA SER A 55 9.518 5.691 -2.854 1.00 31.71 H new ATOM 0 HB2 SER A 55 8.115 8.386 -2.866 1.00 40.69 H new ATOM 0 HB3 SER A 55 8.776 7.530 -1.487 1.00 40.69 H new ATOM 0 HG SER A 55 10.628 8.478 -1.884 1.00 39.56 H new ATOM 550 N LEU A 56 7.025 5.270 -4.432 1.00 31.45 N ATOM 551 CA LEU A 56 5.703 4.680 -4.532 1.00 28.30 C ATOM 552 C LEU A 56 5.807 3.162 -4.520 1.00 28.13 C ATOM 553 O LEU A 56 6.294 2.560 -5.481 1.00 30.03 O ATOM 554 CB LEU A 56 5.006 5.144 -5.814 1.00 29.92 C ATOM 555 CG LEU A 56 4.958 6.660 -6.025 1.00 28.23 C ATOM 556 CD1 LEU A 56 4.188 6.996 -7.290 1.00 31.16 C ATOM 557 CD2 LEU A 56 4.330 7.351 -4.827 1.00 29.13 C ATOM 0 H LEU A 56 7.583 5.206 -5.283 1.00 31.45 H new ATOM 0 HA LEU A 56 5.112 5.005 -3.675 1.00 28.30 H new ATOM 0 HB2 LEU A 56 5.512 4.692 -6.667 1.00 29.92 H new ATOM 0 HB3 LEU A 56 3.985 4.762 -5.811 1.00 29.92 H new ATOM 0 HG LEU A 56 5.981 7.021 -6.133 1.00 28.23 H new ATOM 0 HD11 LEU A 56 4.164 8.077 -7.425 1.00 31.16 H new ATOM 0 HD12 LEU A 56 4.678 6.534 -8.147 1.00 31.16 H new ATOM 0 HD13 LEU A 56 3.169 6.618 -7.207 1.00 31.16 H new ATOM 0 HD21 LEU A 56 4.306 8.427 -4.999 1.00 29.13 H new ATOM 0 HD22 LEU A 56 3.313 6.983 -4.687 1.00 29.13 H new ATOM 0 HD23 LEU A 56 4.919 7.139 -3.935 1.00 29.13 H new ATOM 569 N ILE A 57 5.379 2.545 -3.427 1.00 26.76 N ATOM 570 CA ILE A 57 5.416 1.096 -3.322 1.00 25.89 C ATOM 571 C ILE A 57 4.329 0.514 -4.214 1.00 27.00 C ATOM 572 O ILE A 57 3.158 0.459 -3.837 1.00 27.45 O ATOM 573 CB ILE A 57 5.221 0.602 -1.870 1.00 27.42 C ATOM 574 CG1 ILE A 57 5.940 1.517 -0.869 1.00 31.55 C ATOM 575 CG2 ILE A 57 5.719 -0.830 -1.737 1.00 28.59 C ATOM 576 CD1 ILE A 57 7.438 1.610 -1.076 1.00 37.28 C ATOM 0 H ILE A 57 5.005 3.023 -2.607 1.00 26.76 H new ATOM 0 HA ILE A 57 6.402 0.760 -3.642 1.00 25.89 H new ATOM 0 HB ILE A 57 4.156 0.631 -1.639 1.00 27.42 H new ATOM 0 HG12 ILE A 57 5.513 2.517 -0.937 1.00 31.55 H new ATOM 0 HG13 ILE A 57 5.746 1.155 0.141 1.00 31.55 H new ATOM 0 HG21 ILE A 57 5.578 -1.170 -0.711 1.00 28.59 H new ATOM 0 HG22 ILE A 57 5.158 -1.475 -2.414 1.00 28.59 H new ATOM 0 HG23 ILE A 57 6.778 -0.872 -1.991 1.00 28.59 H new ATOM 0 HD11 ILE A 57 7.868 2.276 -0.328 1.00 37.28 H new ATOM 0 HD12 ILE A 57 7.881 0.619 -0.978 1.00 37.28 H new ATOM 0 HD13 ILE A 57 7.644 2.002 -2.072 1.00 37.28 H new ATOM 588 N HIS A 58 4.718 0.105 -5.406 1.00 26.83 N ATOM 589 CA HIS A 58 3.777 -0.425 -6.374 1.00 24.25 C ATOM 590 C HIS A 58 3.424 -1.881 -6.113 1.00 29.20 C ATOM 591 O HIS A 58 4.242 -2.782 -6.308 1.00 26.43 O ATOM 592 CB HIS A 58 4.326 -0.266 -7.790 1.00 27.78 C ATOM 593 CG HIS A 58 4.271 1.141 -8.292 1.00 33.31 C ATOM 594 ND1 HIS A 58 5.388 1.934 -8.446 1.00 38.84 N ATOM 595 CD2 HIS A 58 3.217 1.903 -8.669 1.00 29.13 C ATOM 596 CE1 HIS A 58 5.025 3.120 -8.895 1.00 32.16 C ATOM 597 NE2 HIS A 58 3.714 3.129 -9.040 1.00 37.59 N ATOM 0 H HIS A 58 5.685 0.130 -5.729 1.00 26.83 H new ATOM 0 HA HIS A 58 2.858 0.152 -6.270 1.00 24.25 H new ATOM 0 HB2 HIS A 58 5.359 -0.612 -7.812 1.00 27.78 H new ATOM 0 HB3 HIS A 58 3.760 -0.908 -8.466 1.00 27.78 H new ATOM 0 HD1 HIS A 58 6.346 1.648 -8.244 1.00 38.84 H new ATOM 0 HD2 HIS A 58 2.180 1.603 -8.677 1.00 29.13 H new ATOM 0 HE1 HIS A 58 5.689 3.945 -9.108 1.00 32.16 H new ATOM 606 N PHE A 59 2.205 -2.088 -5.642 1.00 24.93 N ATOM 607 CA PHE A 59 1.675 -3.419 -5.391 1.00 24.00 C ATOM 608 C PHE A 59 0.834 -3.790 -6.601 1.00 24.90 C ATOM 609 O PHE A 59 -0.282 -3.289 -6.765 1.00 22.76 O ATOM 610 CB PHE A 59 0.828 -3.419 -4.114 1.00 22.07 C ATOM 611 CG PHE A 59 0.347 -4.775 -3.678 1.00 22.53 C ATOM 612 CD1 PHE A 59 1.135 -5.578 -2.869 1.00 23.94 C ATOM 613 CD2 PHE A 59 -0.904 -5.236 -4.059 1.00 23.49 C ATOM 614 CE1 PHE A 59 0.685 -6.818 -2.452 1.00 24.34 C ATOM 615 CE2 PHE A 59 -1.357 -6.473 -3.648 1.00 25.32 C ATOM 616 CZ PHE A 59 -0.563 -7.265 -2.843 1.00 23.59 C ATOM 0 H PHE A 59 1.553 -1.335 -5.422 1.00 24.93 H new ATOM 0 HA PHE A 59 2.476 -4.144 -5.245 1.00 24.00 H new ATOM 0 HB2 PHE A 59 1.413 -2.979 -3.306 1.00 22.07 H new ATOM 0 HB3 PHE A 59 -0.037 -2.774 -4.268 1.00 22.07 H new ATOM 0 HD1 PHE A 59 2.111 -5.232 -2.561 1.00 23.94 H new ATOM 0 HD2 PHE A 59 -1.532 -4.619 -4.685 1.00 23.49 H new ATOM 0 HE1 PHE A 59 1.308 -7.436 -1.822 1.00 24.34 H new ATOM 0 HE2 PHE A 59 -2.332 -6.821 -3.956 1.00 25.32 H new ATOM 0 HZ PHE A 59 -0.917 -8.233 -2.519 1.00 23.59 H new ATOM 626 N CYS A 60 1.373 -4.631 -7.464 1.00 24.92 N ATOM 627 CA CYS A 60 0.676 -4.989 -8.684 1.00 24.28 C ATOM 628 C CYS A 60 0.460 -6.490 -8.824 1.00 22.52 C ATOM 629 O CYS A 60 1.227 -7.303 -8.304 1.00 22.77 O ATOM 630 CB CYS A 60 1.469 -4.461 -9.878 1.00 25.29 C ATOM 631 SG CYS A 60 2.517 -3.036 -9.487 1.00 29.25 S ATOM 0 H CYS A 60 2.283 -5.075 -7.344 1.00 24.92 H new ATOM 0 HA CYS A 60 -0.314 -4.535 -8.647 1.00 24.28 H new ATOM 0 HB2 CYS A 60 2.094 -5.263 -10.270 1.00 25.29 H new ATOM 0 HB3 CYS A 60 0.774 -4.182 -10.670 1.00 25.29 H new ATOM 0 HG CYS A 60 1.880 -1.938 -9.770 1.00 29.25 H new ATOM 637 N TRP A 61 -0.602 -6.836 -9.538 1.00 21.73 N ATOM 638 CA TRP A 61 -0.952 -8.220 -9.802 1.00 24.21 C ATOM 639 C TRP A 61 -0.835 -8.474 -11.295 1.00 23.19 C ATOM 640 O TRP A 61 -1.496 -7.807 -12.100 1.00 23.71 O ATOM 641 CB TRP A 61 -2.377 -8.517 -9.325 1.00 23.71 C ATOM 642 CG TRP A 61 -2.746 -9.971 -9.385 1.00 21.67 C ATOM 643 CD1 TRP A 61 -2.496 -10.918 -8.434 1.00 22.32 C ATOM 644 CD2 TRP A 61 -3.431 -10.644 -10.450 1.00 21.21 C ATOM 645 NE1 TRP A 61 -2.982 -12.136 -8.840 1.00 20.93 N ATOM 646 CE2 TRP A 61 -3.557 -11.996 -10.076 1.00 21.69 C ATOM 647 CE3 TRP A 61 -3.944 -10.238 -11.684 1.00 23.41 C ATOM 648 CZ2 TRP A 61 -4.183 -12.940 -10.888 1.00 24.22 C ATOM 649 CZ3 TRP A 61 -4.564 -11.175 -12.490 1.00 22.81 C ATOM 650 CH2 TRP A 61 -4.675 -12.514 -12.091 1.00 22.79 C ATOM 0 H TRP A 61 -1.246 -6.161 -9.951 1.00 21.73 H new ATOM 0 HA TRP A 61 -0.273 -8.877 -9.259 1.00 24.21 H new ATOM 0 HB2 TRP A 61 -2.487 -8.166 -8.299 1.00 23.71 H new ATOM 0 HB3 TRP A 61 -3.080 -7.948 -9.934 1.00 23.71 H new ATOM 0 HD1 TRP A 61 -1.989 -10.735 -7.498 1.00 22.32 H new ATOM 0 HE1 TRP A 61 -2.924 -13.004 -8.308 1.00 20.93 H new ATOM 0 HE3 TRP A 61 -3.858 -9.210 -12.003 1.00 23.41 H new ATOM 0 HZ2 TRP A 61 -4.276 -13.971 -10.579 1.00 24.22 H new ATOM 0 HZ3 TRP A 61 -4.970 -10.870 -13.443 1.00 22.81 H new ATOM 0 HH2 TRP A 61 -5.159 -13.223 -12.746 1.00 22.79 H new ATOM 661 N LYS A 62 0.004 -9.421 -11.667 1.00 23.00 N ATOM 662 CA LYS A 62 0.210 -9.732 -13.068 1.00 25.78 C ATOM 663 C LYS A 62 -0.186 -11.169 -13.373 1.00 27.19 C ATOM 664 O LYS A 62 0.183 -12.092 -12.652 1.00 24.10 O ATOM 665 CB LYS A 62 1.674 -9.494 -13.446 1.00 30.99 C ATOM 666 CG LYS A 62 2.007 -9.882 -14.875 1.00 37.82 C ATOM 667 CD LYS A 62 3.474 -9.647 -15.189 1.00 35.10 C ATOM 668 CE LYS A 62 3.878 -10.328 -16.484 1.00 48.03 C ATOM 669 NZ LYS A 62 5.313 -10.115 -16.802 1.00 48.74 N ATOM 0 H LYS A 62 0.553 -9.987 -11.020 1.00 23.00 H new ATOM 0 HA LYS A 62 -0.424 -9.074 -13.662 1.00 25.78 H new ATOM 0 HB2 LYS A 62 1.911 -8.440 -13.301 1.00 30.99 H new ATOM 0 HB3 LYS A 62 2.312 -10.060 -12.767 1.00 30.99 H new ATOM 0 HG2 LYS A 62 1.764 -10.933 -15.034 1.00 37.82 H new ATOM 0 HG3 LYS A 62 1.390 -9.304 -15.563 1.00 37.82 H new ATOM 0 HD2 LYS A 62 3.665 -8.576 -15.264 1.00 35.10 H new ATOM 0 HD3 LYS A 62 4.088 -10.024 -14.371 1.00 35.10 H new ATOM 0 HE2 LYS A 62 3.678 -11.397 -16.409 1.00 48.03 H new ATOM 0 HE3 LYS A 62 3.265 -9.946 -17.301 1.00 48.03 H new ATOM 0 HZ1 LYS A 62 5.546 -10.597 -17.694 1.00 48.74 H new ATOM 0 HZ2 LYS A 62 5.499 -9.097 -16.900 1.00 48.74 H new ATOM 0 HZ3 LYS A 62 5.900 -10.502 -16.036 1.00 48.74 H new ATOM 683 N ASP A 63 -0.946 -11.345 -14.440 1.00 25.78 N ATOM 684 CA ASP A 63 -1.386 -12.666 -14.863 1.00 25.28 C ATOM 685 C ASP A 63 -0.254 -13.364 -15.614 1.00 27.61 C ATOM 686 O ASP A 63 0.381 -12.760 -16.474 1.00 28.08 O ATOM 687 CB ASP A 63 -2.632 -12.538 -15.744 1.00 27.58 C ATOM 688 CG ASP A 63 -2.860 -13.746 -16.628 1.00 32.53 C ATOM 689 OD1 ASP A 63 -2.884 -14.877 -16.105 1.00 43.65 O ATOM 690 OD2 ASP A 63 -3.012 -13.563 -17.855 1.00 44.29 O ATOM 0 H ASP A 63 -1.274 -10.584 -15.034 1.00 25.78 H new ATOM 0 HA ASP A 63 -1.644 -13.266 -13.991 1.00 25.28 H new ATOM 0 HB2 ASP A 63 -3.505 -12.390 -15.109 1.00 27.58 H new ATOM 0 HB3 ASP A 63 -2.538 -11.650 -16.369 1.00 27.58 H new ATOM 695 N ARG A 64 0.008 -14.623 -15.285 1.00 25.21 N ATOM 696 CA ARG A 64 1.085 -15.371 -15.931 1.00 26.58 C ATOM 697 C ARG A 64 0.636 -15.965 -17.263 1.00 32.09 C ATOM 698 O ARG A 64 1.463 -16.375 -18.082 1.00 35.96 O ATOM 699 CB ARG A 64 1.592 -16.489 -15.014 1.00 26.02 C ATOM 700 CG ARG A 64 2.190 -15.991 -13.706 1.00 23.07 C ATOM 701 CD ARG A 64 2.541 -17.144 -12.777 1.00 26.59 C ATOM 702 NE ARG A 64 3.656 -17.944 -13.283 1.00 24.42 N ATOM 703 CZ ARG A 64 3.757 -19.266 -13.133 1.00 28.00 C ATOM 704 NH1 ARG A 64 2.808 -19.940 -12.489 1.00 26.89 N ATOM 705 NH2 ARG A 64 4.812 -19.912 -13.613 1.00 28.46 N ATOM 0 H ARG A 64 -0.507 -15.148 -14.578 1.00 25.21 H new ATOM 0 HA ARG A 64 1.895 -14.668 -16.125 1.00 26.58 H new ATOM 0 HB2 ARG A 64 0.766 -17.165 -14.791 1.00 26.02 H new ATOM 0 HB3 ARG A 64 2.344 -17.070 -15.548 1.00 26.02 H new ATOM 0 HG2 ARG A 64 3.085 -15.405 -13.914 1.00 23.07 H new ATOM 0 HG3 ARG A 64 1.482 -15.326 -13.211 1.00 23.07 H new ATOM 0 HD2 ARG A 64 2.796 -16.750 -11.793 1.00 26.59 H new ATOM 0 HD3 ARG A 64 1.667 -17.783 -12.648 1.00 26.59 H new ATOM 0 HE ARG A 64 4.403 -17.461 -13.782 1.00 24.42 H new ATOM 0 HH11 ARG A 64 2.001 -19.446 -12.108 1.00 26.89 H new ATOM 0 HH12 ARG A 64 2.888 -20.951 -12.376 1.00 26.89 H new ATOM 0 HH21 ARG A 64 5.548 -19.398 -14.098 1.00 28.46 H new ATOM 0 HH22 ARG A 64 4.887 -20.923 -13.497 1.00 28.46 H new ATOM 719 N THR A 65 -0.667 -16.003 -17.484 1.00 33.44 N ATOM 720 CA THR A 65 -1.209 -16.559 -18.711 1.00 36.88 C ATOM 721 C THR A 65 -0.928 -15.640 -19.902 1.00 39.61 C ATOM 722 O THR A 65 -0.249 -16.032 -20.848 1.00 43.46 O ATOM 723 CB THR A 65 -2.727 -16.797 -18.589 1.00 37.93 C ATOM 724 OG1 THR A 65 -3.054 -17.188 -17.248 1.00 37.86 O ATOM 725 CG2 THR A 65 -3.190 -17.873 -19.559 1.00 41.05 C ATOM 0 H THR A 65 -1.368 -15.656 -16.830 1.00 33.44 H new ATOM 0 HA THR A 65 -0.715 -17.516 -18.879 1.00 36.88 H new ATOM 0 HB THR A 65 -3.237 -15.866 -18.835 1.00 37.93 H new ATOM 0 HG1 THR A 65 -3.359 -16.405 -16.744 1.00 37.86 H new ATOM 0 HG21 THR A 65 -4.265 -18.021 -19.452 1.00 41.05 H new ATOM 0 HG22 THR A 65 -2.966 -17.563 -20.580 1.00 41.05 H new ATOM 0 HG23 THR A 65 -2.672 -18.807 -19.341 1.00 41.05 H new ATOM 733 N SER A 66 -1.427 -14.411 -19.839 1.00 37.37 N ATOM 734 CA SER A 66 -1.234 -13.453 -20.923 1.00 38.86 C ATOM 735 C SER A 66 -0.084 -12.491 -20.623 1.00 40.19 C ATOM 736 O SER A 66 0.382 -11.769 -21.507 1.00 43.03 O ATOM 737 CB SER A 66 -2.526 -12.667 -21.161 1.00 38.83 C ATOM 738 OG SER A 66 -2.979 -12.050 -19.965 1.00 38.28 O ATOM 0 H SER A 66 -1.967 -14.054 -19.051 1.00 37.37 H new ATOM 0 HA SER A 66 -0.977 -14.011 -21.823 1.00 38.86 H new ATOM 0 HB2 SER A 66 -2.357 -11.907 -21.924 1.00 38.83 H new ATOM 0 HB3 SER A 66 -3.297 -13.336 -21.543 1.00 38.83 H new ATOM 0 HG SER A 66 -3.318 -12.735 -19.352 1.00 38.28 H new ATOM 744 N GLY A 67 0.369 -12.487 -19.373 1.00 37.65 N ATOM 745 CA GLY A 67 1.447 -11.600 -18.976 1.00 35.24 C ATOM 746 C GLY A 67 0.970 -10.170 -18.836 1.00 32.90 C ATOM 747 O GLY A 67 1.756 -9.229 -18.929 1.00 38.76 O ATOM 0 H GLY A 67 0.008 -13.083 -18.628 1.00 37.65 H new ATOM 0 HA2 GLY A 67 1.867 -11.938 -18.029 1.00 35.24 H new ATOM 0 HA3 GLY A 67 2.248 -11.646 -19.714 1.00 35.24 H new ATOM 751 N THR A 68 -0.323 -10.012 -18.605 1.00 35.01 N ATOM 752 CA THR A 68 -0.925 -8.696 -18.470 1.00 34.10 C ATOM 753 C THR A 68 -1.026 -8.264 -17.009 1.00 32.67 C ATOM 754 O THR A 68 -1.422 -9.049 -16.143 1.00 29.63 O ATOM 755 CB THR A 68 -2.339 -8.684 -19.089 1.00 41.04 C ATOM 756 OG1 THR A 68 -2.338 -9.413 -20.325 1.00 46.72 O ATOM 757 CG2 THR A 68 -2.816 -7.262 -19.338 1.00 41.80 C ATOM 0 H THR A 68 -0.980 -10.786 -18.506 1.00 35.01 H new ATOM 0 HA THR A 68 -0.278 -7.995 -18.998 1.00 34.10 H new ATOM 0 HB THR A 68 -3.021 -9.158 -18.383 1.00 41.04 H new ATOM 0 HG1 THR A 68 -2.722 -10.303 -20.180 1.00 46.72 H new ATOM 0 HG21 THR A 68 -3.815 -7.284 -19.774 1.00 41.80 H new ATOM 0 HG22 THR A 68 -2.844 -6.717 -18.394 1.00 41.80 H new ATOM 0 HG23 THR A 68 -2.131 -6.763 -20.024 1.00 41.80 H new ATOM 765 N VAL A 69 -0.635 -7.023 -16.740 1.00 33.44 N ATOM 766 CA VAL A 69 -0.725 -6.463 -15.403 1.00 31.48 C ATOM 767 C VAL A 69 -2.104 -5.839 -15.233 1.00 34.28 C ATOM 768 O VAL A 69 -2.459 -4.901 -15.947 1.00 37.70 O ATOM 769 CB VAL A 69 0.362 -5.395 -15.150 1.00 33.02 C ATOM 770 CG1 VAL A 69 0.240 -4.818 -13.747 1.00 31.05 C ATOM 771 CG2 VAL A 69 1.750 -5.979 -15.361 1.00 34.92 C ATOM 0 H VAL A 69 -0.251 -6.385 -17.437 1.00 33.44 H new ATOM 0 HA VAL A 69 -0.569 -7.264 -14.681 1.00 31.48 H new ATOM 0 HB VAL A 69 0.213 -4.588 -15.868 1.00 33.02 H new ATOM 0 HG11 VAL A 69 1.016 -4.068 -13.593 1.00 31.05 H new ATOM 0 HG12 VAL A 69 -0.740 -4.356 -13.628 1.00 31.05 H new ATOM 0 HG13 VAL A 69 0.356 -5.616 -13.014 1.00 31.05 H new ATOM 0 HG21 VAL A 69 2.500 -5.210 -15.178 1.00 34.92 H new ATOM 0 HG22 VAL A 69 1.905 -6.808 -14.671 1.00 34.92 H new ATOM 0 HG23 VAL A 69 1.842 -6.338 -16.386 1.00 34.92 H new ATOM 781 N GLU A 70 -2.886 -6.365 -14.308 1.00 27.61 N ATOM 782 CA GLU A 70 -4.232 -5.860 -14.093 1.00 28.48 C ATOM 783 C GLU A 70 -4.265 -4.819 -12.987 1.00 35.57 C ATOM 784 O GLU A 70 -4.682 -3.683 -13.202 1.00 36.58 O ATOM 785 CB GLU A 70 -5.186 -7.005 -13.761 1.00 34.68 C ATOM 786 CG GLU A 70 -5.346 -8.004 -14.892 1.00 39.08 C ATOM 787 CD GLU A 70 -6.688 -8.697 -14.856 1.00 33.19 C ATOM 788 OE1 GLU A 70 -7.197 -8.967 -13.751 1.00 39.04 O ATOM 789 OE2 GLU A 70 -7.248 -8.971 -15.937 1.00 44.88 O ATOM 0 H GLU A 70 -2.616 -7.136 -13.697 1.00 27.61 H new ATOM 0 HA GLU A 70 -4.556 -5.382 -15.018 1.00 28.48 H new ATOM 0 HB2 GLU A 70 -4.822 -7.526 -12.875 1.00 34.68 H new ATOM 0 HB3 GLU A 70 -6.163 -6.593 -13.510 1.00 34.68 H new ATOM 0 HG2 GLU A 70 -5.229 -7.491 -15.847 1.00 39.08 H new ATOM 0 HG3 GLU A 70 -4.553 -8.749 -14.831 1.00 39.08 H new ATOM 796 N ASP A 71 -3.816 -5.206 -11.809 1.00 27.90 N ATOM 797 CA ASP A 71 -3.822 -4.304 -10.672 1.00 27.06 C ATOM 798 C ASP A 71 -2.474 -3.629 -10.512 1.00 26.23 C ATOM 799 O ASP A 71 -1.434 -4.250 -10.710 1.00 25.29 O ATOM 800 CB ASP A 71 -4.193 -5.057 -9.392 1.00 27.28 C ATOM 801 CG ASP A 71 -5.615 -5.583 -9.424 1.00 36.49 C ATOM 802 OD1 ASP A 71 -5.824 -6.709 -9.916 1.00 33.15 O ATOM 803 OD2 ASP A 71 -6.535 -4.869 -8.966 1.00 44.65 O ATOM 0 H ASP A 71 -3.444 -6.135 -11.614 1.00 27.90 H new ATOM 0 HA ASP A 71 -4.572 -3.534 -10.854 1.00 27.06 H new ATOM 0 HB2 ASP A 71 -3.503 -5.889 -9.250 1.00 27.28 H new ATOM 0 HB3 ASP A 71 -4.073 -4.394 -8.535 1.00 27.28 H new ATOM 808 N ASP A 72 -2.512 -2.354 -10.159 1.00 28.12 N ATOM 809 CA ASP A 72 -1.308 -1.554 -9.959 1.00 27.09 C ATOM 810 C ASP A 72 -1.642 -0.373 -9.054 1.00 28.96 C ATOM 811 O ASP A 72 -2.183 0.638 -9.508 1.00 30.68 O ATOM 812 CB ASP A 72 -0.761 -1.062 -11.309 1.00 32.18 C ATOM 813 CG ASP A 72 0.434 -0.136 -11.173 1.00 37.86 C ATOM 814 OD1 ASP A 72 1.528 -0.610 -10.803 1.00 34.36 O ATOM 815 OD2 ASP A 72 0.291 1.071 -11.462 1.00 46.72 O ATOM 0 H ASP A 72 -3.379 -1.841 -10.002 1.00 28.12 H new ATOM 0 HA ASP A 72 -0.538 -2.165 -9.487 1.00 27.09 H new ATOM 0 HB2 ASP A 72 -0.477 -1.923 -11.913 1.00 32.18 H new ATOM 0 HB3 ASP A 72 -1.554 -0.543 -11.847 1.00 32.18 H new ATOM 820 N LEU A 73 -1.348 -0.512 -7.768 1.00 27.72 N ATOM 821 CA LEU A 73 -1.655 0.537 -6.800 1.00 25.71 C ATOM 822 C LEU A 73 -0.399 1.123 -6.163 1.00 28.61 C ATOM 823 O LEU A 73 0.712 0.625 -6.357 1.00 28.34 O ATOM 824 CB LEU A 73 -2.574 -0.013 -5.704 1.00 28.50 C ATOM 825 CG LEU A 73 -4.032 -0.222 -6.115 1.00 38.00 C ATOM 826 CD1 LEU A 73 -4.768 -1.047 -5.072 1.00 46.75 C ATOM 827 CD2 LEU A 73 -4.726 1.117 -6.318 1.00 41.56 C ATOM 0 H LEU A 73 -0.899 -1.337 -7.370 1.00 27.72 H new ATOM 0 HA LEU A 73 -2.157 1.338 -7.343 1.00 25.71 H new ATOM 0 HB2 LEU A 73 -2.171 -0.965 -5.360 1.00 28.50 H new ATOM 0 HB3 LEU A 73 -2.548 0.670 -4.855 1.00 28.50 H new ATOM 0 HG LEU A 73 -4.047 -0.766 -7.059 1.00 38.00 H new ATOM 0 HD11 LEU A 73 -5.804 -1.185 -5.382 1.00 46.75 H new ATOM 0 HD12 LEU A 73 -4.287 -2.020 -4.971 1.00 46.75 H new ATOM 0 HD13 LEU A 73 -4.742 -0.529 -4.114 1.00 46.75 H new ATOM 0 HD21 LEU A 73 -5.763 0.949 -6.610 1.00 41.56 H new ATOM 0 HD22 LEU A 73 -4.699 1.686 -5.388 1.00 41.56 H new ATOM 0 HD23 LEU A 73 -4.215 1.677 -7.101 1.00 41.56 H new ATOM 839 N ILE A 74 -0.603 2.190 -5.399 1.00 26.56 N ATOM 840 CA ILE A 74 0.469 2.878 -4.702 1.00 26.14 C ATOM 841 C ILE A 74 0.301 2.691 -3.198 1.00 27.51 C ATOM 842 O ILE A 74 -0.492 3.380 -2.560 1.00 28.90 O ATOM 843 CB ILE A 74 0.472 4.384 -5.038 1.00 28.52 C ATOM 844 CG1 ILE A 74 0.655 4.589 -6.544 1.00 30.04 C ATOM 845 CG2 ILE A 74 1.562 5.101 -4.262 1.00 31.95 C ATOM 846 CD1 ILE A 74 0.369 6.002 -7.001 1.00 35.26 C ATOM 0 H ILE A 74 -1.524 2.602 -5.247 1.00 26.56 H new ATOM 0 HA ILE A 74 1.419 2.452 -5.026 1.00 26.14 H new ATOM 0 HB ILE A 74 -0.488 4.809 -4.745 1.00 28.52 H new ATOM 0 HG12 ILE A 74 1.678 4.328 -6.816 1.00 30.04 H new ATOM 0 HG13 ILE A 74 -0.002 3.903 -7.078 1.00 30.04 H new ATOM 0 HG21 ILE A 74 1.549 6.162 -4.512 1.00 31.95 H new ATOM 0 HG22 ILE A 74 1.389 4.978 -3.193 1.00 31.95 H new ATOM 0 HG23 ILE A 74 2.532 4.679 -4.523 1.00 31.95 H new ATOM 0 HD11 ILE A 74 0.519 6.073 -8.078 1.00 35.26 H new ATOM 0 HD12 ILE A 74 -0.662 6.261 -6.760 1.00 35.26 H new ATOM 0 HD13 ILE A 74 1.044 6.692 -6.494 1.00 35.26 H new ATOM 858 N ILE A 75 1.041 1.756 -2.640 1.00 25.23 N ATOM 859 CA ILE A 75 0.940 1.456 -1.224 1.00 23.84 C ATOM 860 C ILE A 75 1.840 2.350 -0.380 1.00 27.62 C ATOM 861 O ILE A 75 2.981 2.635 -0.750 1.00 28.33 O ATOM 862 CB ILE A 75 1.293 -0.018 -0.939 1.00 26.16 C ATOM 863 CG1 ILE A 75 0.512 -0.955 -1.868 1.00 34.34 C ATOM 864 CG2 ILE A 75 1.024 -0.360 0.517 1.00 27.19 C ATOM 865 CD1 ILE A 75 -0.989 -0.741 -1.856 1.00 41.17 C ATOM 0 H ILE A 75 1.721 1.188 -3.145 1.00 25.23 H new ATOM 0 HA ILE A 75 -0.097 1.645 -0.947 1.00 23.84 H new ATOM 0 HB ILE A 75 2.356 -0.157 -1.134 1.00 26.16 H new ATOM 0 HG12 ILE A 75 0.877 -0.824 -2.887 1.00 34.34 H new ATOM 0 HG13 ILE A 75 0.722 -1.986 -1.584 1.00 34.34 H new ATOM 0 HG21 ILE A 75 1.279 -1.404 0.699 1.00 27.19 H new ATOM 0 HG22 ILE A 75 1.631 0.279 1.159 1.00 27.19 H new ATOM 0 HG23 ILE A 75 -0.031 -0.200 0.739 1.00 27.19 H new ATOM 0 HD11 ILE A 75 -1.462 -1.445 -2.540 1.00 41.17 H new ATOM 0 HD12 ILE A 75 -1.371 -0.902 -0.848 1.00 41.17 H new ATOM 0 HD13 ILE A 75 -1.214 0.278 -2.171 1.00 41.17 H new ATOM 877 N PHE A 76 1.299 2.804 0.744 1.00 27.22 N ATOM 878 CA PHE A 76 2.031 3.630 1.688 1.00 29.75 C ATOM 879 C PHE A 76 1.796 3.118 3.113 1.00 28.37 C ATOM 880 O PHE A 76 0.762 2.504 3.389 1.00 30.39 O ATOM 881 CB PHE A 76 1.605 5.091 1.569 1.00 28.99 C ATOM 882 CG PHE A 76 2.454 5.891 0.618 1.00 26.06 C ATOM 883 CD1 PHE A 76 3.616 6.508 1.054 1.00 26.47 C ATOM 884 CD2 PHE A 76 2.088 6.027 -0.710 1.00 29.04 C ATOM 885 CE1 PHE A 76 4.397 7.245 0.184 1.00 27.65 C ATOM 886 CE2 PHE A 76 2.865 6.764 -1.583 1.00 30.38 C ATOM 887 CZ PHE A 76 4.021 7.372 -1.135 1.00 29.98 C ATOM 0 H PHE A 76 0.338 2.608 1.024 1.00 27.22 H new ATOM 0 HA PHE A 76 3.095 3.568 1.459 1.00 29.75 H new ATOM 0 HB2 PHE A 76 0.567 5.132 1.239 1.00 28.99 H new ATOM 0 HB3 PHE A 76 1.644 5.554 2.555 1.00 28.99 H new ATOM 0 HD1 PHE A 76 3.915 6.412 2.087 1.00 26.47 H new ATOM 0 HD2 PHE A 76 1.186 5.552 -1.067 1.00 29.04 H new ATOM 0 HE1 PHE A 76 5.300 7.720 0.538 1.00 27.65 H new ATOM 0 HE2 PHE A 76 2.568 6.865 -2.616 1.00 30.38 H new ATOM 0 HZ PHE A 76 4.629 7.946 -1.818 1.00 29.98 H new ATOM 897 N PRO A 77 2.760 3.356 4.022 1.00 29.47 N ATOM 898 CA PRO A 77 2.687 2.916 5.425 1.00 29.23 C ATOM 899 C PRO A 77 1.355 3.209 6.115 1.00 36.32 C ATOM 900 O PRO A 77 0.807 4.310 6.006 1.00 38.20 O ATOM 901 CB PRO A 77 3.805 3.711 6.096 1.00 29.39 C ATOM 902 CG PRO A 77 4.803 3.938 5.018 1.00 32.72 C ATOM 903 CD PRO A 77 4.021 4.066 3.741 1.00 31.35 C ATOM 0 HA PRO A 77 2.783 1.832 5.492 1.00 29.23 H new ATOM 0 HB2 PRO A 77 3.435 4.654 6.498 1.00 29.39 H new ATOM 0 HB3 PRO A 77 4.240 3.158 6.929 1.00 29.39 H new ATOM 0 HG2 PRO A 77 5.385 4.840 5.210 1.00 32.72 H new ATOM 0 HG3 PRO A 77 5.509 3.109 4.961 1.00 32.72 H new ATOM 0 HD2 PRO A 77 3.843 5.110 3.485 1.00 31.35 H new ATOM 0 HD3 PRO A 77 4.552 3.619 2.901 1.00 31.35 H new ATOM 911 N ASP A 78 0.850 2.184 6.808 1.00 37.07 N ATOM 912 CA ASP A 78 -0.407 2.236 7.576 1.00 38.13 C ATOM 913 C ASP A 78 -1.660 2.339 6.699 1.00 38.12 C ATOM 914 O ASP A 78 -2.714 1.824 7.070 1.00 41.39 O ATOM 915 CB ASP A 78 -0.397 3.377 8.600 1.00 44.12 C ATOM 916 CG ASP A 78 -1.537 3.261 9.600 1.00 58.24 C ATOM 917 OD1 ASP A 78 -1.473 2.384 10.485 1.00 63.10 O ATOM 918 OD2 ASP A 78 -2.507 4.040 9.502 1.00 68.01 O ATOM 0 H ASP A 78 1.310 1.275 6.855 1.00 37.07 H new ATOM 0 HA ASP A 78 -0.459 1.281 8.099 1.00 38.13 H new ATOM 0 HB2 ASP A 78 0.554 3.376 9.133 1.00 44.12 H new ATOM 0 HB3 ASP A 78 -0.469 4.332 8.079 1.00 44.12 H new ATOM 923 N ASP A 79 -1.555 2.996 5.545 1.00 32.78 N ATOM 924 CA ASP A 79 -2.703 3.156 4.651 1.00 31.87 C ATOM 925 C ASP A 79 -3.235 1.805 4.199 1.00 31.67 C ATOM 926 O ASP A 79 -4.417 1.500 4.367 1.00 31.28 O ATOM 927 CB ASP A 79 -2.343 4.003 3.429 1.00 30.43 C ATOM 928 CG ASP A 79 -3.577 4.448 2.660 1.00 37.99 C ATOM 929 OD1 ASP A 79 -4.264 5.383 3.129 1.00 32.65 O ATOM 930 OD2 ASP A 79 -3.865 3.861 1.595 1.00 39.45 O ATOM 0 H ASP A 79 -0.693 3.424 5.208 1.00 32.78 H new ATOM 0 HA ASP A 79 -3.481 3.672 5.214 1.00 31.87 H new ATOM 0 HB2 ASP A 79 -1.780 4.880 3.749 1.00 30.43 H new ATOM 0 HB3 ASP A 79 -1.692 3.429 2.769 1.00 30.43 H new ATOM 935 N CYS A 80 -2.358 0.995 3.645 1.00 31.58 N ATOM 936 CA CYS A 80 -2.738 -0.319 3.170 1.00 30.94 C ATOM 937 C CYS A 80 -2.204 -1.390 4.118 1.00 28.98 C ATOM 938 O CYS A 80 -0.999 -1.641 4.180 1.00 31.11 O ATOM 939 CB CYS A 80 -2.209 -0.514 1.755 1.00 31.93 C ATOM 940 SG CYS A 80 -2.041 1.039 0.839 1.00 37.05 S ATOM 0 H CYS A 80 -1.373 1.224 3.512 1.00 31.58 H new ATOM 0 HA CYS A 80 -3.824 -0.407 3.147 1.00 30.94 H new ATOM 0 HB2 CYS A 80 -1.239 -1.008 1.801 1.00 31.93 H new ATOM 0 HB3 CYS A 80 -2.880 -1.179 1.211 1.00 31.93 H new ATOM 0 HG CYS A 80 -3.145 1.286 0.198 1.00 37.05 H new ATOM 946 N GLU A 81 -3.110 -2.003 4.863 1.00 25.38 N ATOM 947 CA GLU A 81 -2.755 -3.026 5.833 1.00 28.86 C ATOM 948 C GLU A 81 -2.979 -4.433 5.275 1.00 26.91 C ATOM 949 O GLU A 81 -4.112 -4.898 5.160 1.00 29.90 O ATOM 950 CB GLU A 81 -3.581 -2.821 7.108 1.00 32.62 C ATOM 951 CG GLU A 81 -3.424 -3.925 8.134 1.00 41.20 C ATOM 952 CD GLU A 81 -4.355 -3.753 9.317 1.00 46.74 C ATOM 953 OE1 GLU A 81 -5.474 -3.222 9.137 1.00 59.83 O ATOM 954 OE2 GLU A 81 -3.972 -4.152 10.437 1.00 54.12 O ATOM 0 H GLU A 81 -4.110 -1.806 4.813 1.00 25.38 H new ATOM 0 HA GLU A 81 -1.693 -2.932 6.062 1.00 28.86 H new ATOM 0 HB2 GLU A 81 -3.295 -1.873 7.564 1.00 32.62 H new ATOM 0 HB3 GLU A 81 -4.634 -2.740 6.836 1.00 32.62 H new ATOM 0 HG2 GLU A 81 -3.617 -4.887 7.660 1.00 41.20 H new ATOM 0 HG3 GLU A 81 -2.393 -3.945 8.487 1.00 41.20 H new ATOM 961 N PHE A 82 -1.892 -5.096 4.912 1.00 27.17 N ATOM 962 CA PHE A 82 -1.968 -6.456 4.399 1.00 24.89 C ATOM 963 C PHE A 82 -2.065 -7.422 5.575 1.00 26.35 C ATOM 964 O PHE A 82 -1.193 -7.435 6.446 1.00 28.01 O ATOM 965 CB PHE A 82 -0.742 -6.779 3.539 1.00 24.82 C ATOM 966 CG PHE A 82 -0.919 -7.986 2.659 1.00 26.08 C ATOM 967 CD1 PHE A 82 -1.824 -7.969 1.611 1.00 26.96 C ATOM 968 CD2 PHE A 82 -0.176 -9.134 2.875 1.00 25.08 C ATOM 969 CE1 PHE A 82 -1.985 -9.074 0.796 1.00 25.16 C ATOM 970 CE2 PHE A 82 -0.332 -10.242 2.065 1.00 24.61 C ATOM 971 CZ PHE A 82 -1.238 -10.212 1.023 1.00 23.81 C ATOM 0 H PHE A 82 -0.947 -4.715 4.963 1.00 27.17 H new ATOM 0 HA PHE A 82 -2.852 -6.557 3.769 1.00 24.89 H new ATOM 0 HB2 PHE A 82 -0.510 -5.916 2.914 1.00 24.82 H new ATOM 0 HB3 PHE A 82 0.116 -6.939 4.192 1.00 24.82 H new ATOM 0 HD1 PHE A 82 -2.411 -7.081 1.428 1.00 26.96 H new ATOM 0 HD2 PHE A 82 0.535 -9.164 3.687 1.00 25.08 H new ATOM 0 HE1 PHE A 82 -2.695 -9.047 -0.018 1.00 25.16 H new ATOM 0 HE2 PHE A 82 0.254 -11.131 2.246 1.00 24.61 H new ATOM 0 HZ PHE A 82 -1.362 -11.077 0.388 1.00 23.81 H new ATOM 981 N LYS A 83 -3.127 -8.206 5.614 1.00 25.24 N ATOM 982 CA LYS A 83 -3.340 -9.148 6.704 1.00 27.67 C ATOM 983 C LYS A 83 -3.989 -10.432 6.189 1.00 24.72 C ATOM 984 O LYS A 83 -4.501 -10.468 5.073 1.00 26.15 O ATOM 985 CB LYS A 83 -4.225 -8.485 7.768 1.00 34.55 C ATOM 986 CG LYS A 83 -4.250 -9.211 9.103 1.00 49.96 C ATOM 987 CD LYS A 83 -4.182 -8.240 10.274 1.00 44.98 C ATOM 988 CE LYS A 83 -5.417 -7.357 10.355 1.00 55.29 C ATOM 989 NZ LYS A 83 -5.300 -6.347 11.442 1.00 57.71 N ATOM 0 H LYS A 83 -3.858 -8.211 4.903 1.00 25.24 H new ATOM 0 HA LYS A 83 -2.380 -9.416 7.144 1.00 27.67 H new ATOM 0 HB2 LYS A 83 -3.876 -7.465 7.929 1.00 34.55 H new ATOM 0 HB3 LYS A 83 -5.243 -8.417 7.386 1.00 34.55 H new ATOM 0 HG2 LYS A 83 -5.160 -9.806 9.176 1.00 49.96 H new ATOM 0 HG3 LYS A 83 -3.411 -9.904 9.156 1.00 49.96 H new ATOM 0 HD2 LYS A 83 -4.075 -8.800 11.203 1.00 44.98 H new ATOM 0 HD3 LYS A 83 -3.295 -7.614 10.175 1.00 44.98 H new ATOM 0 HE2 LYS A 83 -5.565 -6.850 9.401 1.00 55.29 H new ATOM 0 HE3 LYS A 83 -6.297 -7.977 10.527 1.00 55.29 H new ATOM 0 HZ1 LYS A 83 -6.230 -5.914 11.615 1.00 57.71 H new ATOM 0 HZ2 LYS A 83 -4.967 -6.810 12.312 1.00 57.71 H new ATOM 0 HZ3 LYS A 83 -4.622 -5.611 11.160 1.00 57.71 H new ATOM 1003 N ARG A 84 -3.947 -11.487 6.988 1.00 26.20 N ATOM 1004 CA ARG A 84 -4.549 -12.756 6.606 1.00 24.84 C ATOM 1005 C ARG A 84 -5.932 -12.882 7.238 1.00 26.43 C ATOM 1006 O ARG A 84 -6.205 -12.272 8.274 1.00 28.19 O ATOM 1007 CB ARG A 84 -3.651 -13.926 7.037 1.00 27.68 C ATOM 1008 CG ARG A 84 -4.274 -15.298 6.812 1.00 30.59 C ATOM 1009 CD ARG A 84 -3.226 -16.391 6.692 1.00 38.05 C ATOM 1010 NE ARG A 84 -2.366 -16.474 7.873 1.00 45.74 N ATOM 1011 CZ ARG A 84 -2.483 -17.407 8.820 1.00 54.89 C ATOM 1012 NH1 ARG A 84 -3.430 -18.335 8.736 1.00 55.75 N ATOM 1013 NH2 ARG A 84 -1.652 -17.410 9.856 1.00 51.71 N ATOM 0 H ARG A 84 -3.502 -11.490 7.906 1.00 26.20 H new ATOM 0 HA ARG A 84 -4.653 -12.788 5.521 1.00 24.84 H new ATOM 0 HB2 ARG A 84 -2.711 -13.871 6.489 1.00 27.68 H new ATOM 0 HB3 ARG A 84 -3.410 -13.816 8.094 1.00 27.68 H new ATOM 0 HG2 ARG A 84 -4.946 -15.530 7.638 1.00 30.59 H new ATOM 0 HG3 ARG A 84 -4.879 -15.276 5.906 1.00 30.59 H new ATOM 0 HD2 ARG A 84 -3.721 -17.350 6.539 1.00 38.05 H new ATOM 0 HD3 ARG A 84 -2.611 -16.206 5.811 1.00 38.05 H new ATOM 0 HE ARG A 84 -1.631 -15.775 7.979 1.00 45.74 H new ATOM 0 HH11 ARG A 84 -4.073 -18.337 7.944 1.00 55.75 H new ATOM 0 HH12 ARG A 84 -3.514 -19.045 9.463 1.00 55.75 H new ATOM 0 HH21 ARG A 84 -0.924 -16.699 9.928 1.00 51.71 H new ATOM 0 HH22 ARG A 84 -1.742 -18.123 10.580 1.00 51.71 H new ATOM 1027 N VAL A 85 -6.809 -13.643 6.599 1.00 26.80 N ATOM 1028 CA VAL A 85 -8.150 -13.856 7.120 1.00 28.35 C ATOM 1029 C VAL A 85 -8.177 -15.127 7.964 1.00 26.05 C ATOM 1030 O VAL A 85 -8.069 -16.233 7.433 1.00 30.08 O ATOM 1031 CB VAL A 85 -9.193 -13.972 5.991 1.00 28.02 C ATOM 1032 CG1 VAL A 85 -10.600 -13.981 6.565 1.00 31.09 C ATOM 1033 CG2 VAL A 85 -9.027 -12.839 4.988 1.00 26.97 C ATOM 0 H VAL A 85 -6.616 -14.122 5.720 1.00 26.80 H new ATOM 0 HA VAL A 85 -8.409 -12.991 7.731 1.00 28.35 H new ATOM 0 HB VAL A 85 -9.031 -14.915 5.468 1.00 28.02 H new ATOM 0 HG11 VAL A 85 -11.323 -14.063 5.754 1.00 31.09 H new ATOM 0 HG12 VAL A 85 -10.712 -14.830 7.239 1.00 31.09 H new ATOM 0 HG13 VAL A 85 -10.775 -13.056 7.114 1.00 31.09 H new ATOM 0 HG21 VAL A 85 -9.773 -12.939 4.199 1.00 26.97 H new ATOM 0 HG22 VAL A 85 -9.160 -11.883 5.494 1.00 26.97 H new ATOM 0 HG23 VAL A 85 -8.029 -12.883 4.552 1.00 26.97 H new ATOM 1043 N PRO A 86 -8.299 -14.987 9.291 1.00 32.41 N ATOM 1044 CA PRO A 86 -8.329 -16.131 10.201 1.00 33.92 C ATOM 1045 C PRO A 86 -9.658 -16.871 10.142 1.00 37.33 C ATOM 1046 O PRO A 86 -9.772 -18.006 10.601 1.00 42.97 O ATOM 1047 CB PRO A 86 -8.122 -15.494 11.577 1.00 38.12 C ATOM 1048 CG PRO A 86 -8.656 -14.110 11.439 1.00 38.96 C ATOM 1049 CD PRO A 86 -8.412 -13.701 10.010 1.00 35.71 C ATOM 0 HA PRO A 86 -7.576 -16.879 9.951 1.00 33.92 H new ATOM 0 HB2 PRO A 86 -8.652 -16.047 12.353 1.00 38.12 H new ATOM 0 HB3 PRO A 86 -7.068 -15.486 11.855 1.00 38.12 H new ATOM 0 HG2 PRO A 86 -9.719 -14.079 11.676 1.00 38.96 H new ATOM 0 HG3 PRO A 86 -8.156 -13.430 12.129 1.00 38.96 H new ATOM 0 HD2 PRO A 86 -9.231 -13.096 9.621 1.00 35.71 H new ATOM 0 HD3 PRO A 86 -7.503 -13.107 9.913 1.00 35.71 H new ATOM 1057 N GLN A 87 -10.655 -16.226 9.547 1.00 34.50 N ATOM 1058 CA GLN A 87 -11.983 -16.811 9.421 1.00 34.12 C ATOM 1059 C GLN A 87 -12.118 -17.565 8.099 1.00 32.97 C ATOM 1060 O GLN A 87 -13.127 -17.443 7.400 1.00 29.14 O ATOM 1061 CB GLN A 87 -13.056 -15.720 9.517 1.00 35.26 C ATOM 1062 CG GLN A 87 -12.892 -14.790 10.710 1.00 42.92 C ATOM 1063 CD GLN A 87 -12.800 -15.529 12.035 1.00 54.68 C ATOM 1064 OE1 GLN A 87 -13.369 -16.605 12.208 1.00 53.82 O ATOM 1065 NE2 GLN A 87 -12.083 -14.948 12.983 1.00 56.31 N ATOM 0 H GLN A 87 -10.567 -15.294 9.143 1.00 34.50 H new ATOM 0 HA GLN A 87 -12.124 -17.518 10.238 1.00 34.12 H new ATOM 0 HB2 GLN A 87 -13.039 -15.127 8.603 1.00 35.26 H new ATOM 0 HB3 GLN A 87 -14.036 -16.193 9.571 1.00 35.26 H new ATOM 0 HG2 GLN A 87 -11.993 -14.189 10.573 1.00 42.92 H new ATOM 0 HG3 GLN A 87 -13.735 -14.100 10.744 1.00 42.92 H new ATOM 0 HE21 GLN A 87 -11.626 -14.055 12.801 1.00 56.31 H new ATOM 0 HE22 GLN A 87 -11.988 -15.393 13.896 1.00 56.31 H new ATOM 1074 N CYS A 88 -11.095 -18.334 7.762 1.00 30.59 N ATOM 1075 CA CYS A 88 -11.080 -19.117 6.534 1.00 30.96 C ATOM 1076 C CYS A 88 -10.470 -20.489 6.796 1.00 32.25 C ATOM 1077 O CYS A 88 -9.337 -20.582 7.263 1.00 33.41 O ATOM 1078 CB CYS A 88 -10.289 -18.392 5.440 1.00 32.19 C ATOM 1079 SG CYS A 88 -11.150 -16.976 4.721 1.00 39.96 S ATOM 0 H CYS A 88 -10.253 -18.434 8.329 1.00 30.59 H new ATOM 0 HA CYS A 88 -12.108 -19.242 6.193 1.00 30.96 H new ATOM 0 HB2 CYS A 88 -9.340 -18.053 5.857 1.00 32.19 H new ATOM 0 HB3 CYS A 88 -10.053 -19.101 4.647 1.00 32.19 H new ATOM 0 HG CYS A 88 -12.173 -16.668 5.462 1.00 39.96 H new ATOM 1085 N PRO A 89 -11.217 -21.569 6.503 1.00 33.30 N ATOM 1086 CA PRO A 89 -10.745 -22.947 6.713 1.00 32.59 C ATOM 1087 C PRO A 89 -9.483 -23.265 5.913 1.00 34.13 C ATOM 1088 O PRO A 89 -8.608 -24.000 6.379 1.00 38.31 O ATOM 1089 CB PRO A 89 -11.912 -23.811 6.226 1.00 37.71 C ATOM 1090 CG PRO A 89 -13.101 -22.915 6.262 1.00 38.21 C ATOM 1091 CD PRO A 89 -12.587 -21.537 5.963 1.00 32.90 C ATOM 0 HA PRO A 89 -10.474 -23.121 7.754 1.00 32.59 H new ATOM 0 HB2 PRO A 89 -11.731 -24.186 5.218 1.00 37.71 H new ATOM 0 HB3 PRO A 89 -12.054 -24.680 6.869 1.00 37.71 H new ATOM 0 HG2 PRO A 89 -13.844 -23.223 5.527 1.00 38.21 H new ATOM 0 HG3 PRO A 89 -13.585 -22.948 7.238 1.00 38.21 H new ATOM 0 HD2 PRO A 89 -12.594 -21.327 4.893 1.00 32.90 H new ATOM 0 HD3 PRO A 89 -13.192 -20.768 6.443 1.00 32.90 H new ATOM 1099 N SER A 90 -9.394 -22.709 4.710 1.00 34.04 N ATOM 1100 CA SER A 90 -8.241 -22.923 3.848 1.00 33.45 C ATOM 1101 C SER A 90 -6.991 -22.323 4.479 1.00 29.83 C ATOM 1102 O SER A 90 -5.954 -22.978 4.583 1.00 32.46 O ATOM 1103 CB SER A 90 -8.494 -22.289 2.481 1.00 33.88 C ATOM 1104 OG SER A 90 -9.071 -21.000 2.627 1.00 33.97 O ATOM 0 H SER A 90 -10.111 -22.104 4.310 1.00 34.04 H new ATOM 0 HA SER A 90 -8.087 -23.995 3.723 1.00 33.45 H new ATOM 0 HB2 SER A 90 -7.557 -22.213 1.930 1.00 33.88 H new ATOM 0 HB3 SER A 90 -9.157 -22.926 1.896 1.00 33.88 H new ATOM 0 HG SER A 90 -9.225 -20.608 1.742 1.00 33.97 H new ATOM 1110 N GLY A 91 -7.104 -21.068 4.898 1.00 27.54 N ATOM 1111 CA GLY A 91 -5.993 -20.389 5.531 1.00 29.96 C ATOM 1112 C GLY A 91 -5.047 -19.740 4.542 1.00 31.42 C ATOM 1113 O GLY A 91 -4.086 -19.087 4.940 1.00 34.09 O ATOM 0 H GLY A 91 -7.951 -20.507 4.809 1.00 27.54 H new ATOM 0 HA2 GLY A 91 -6.380 -19.627 6.208 1.00 29.96 H new ATOM 0 HA3 GLY A 91 -5.438 -21.103 6.139 1.00 29.96 H new ATOM 1117 N ARG A 92 -5.323 -19.896 3.253 1.00 27.65 N ATOM 1118 CA ARG A 92 -4.466 -19.319 2.218 1.00 24.26 C ATOM 1119 C ARG A 92 -5.034 -17.991 1.731 1.00 23.50 C ATOM 1120 O ARG A 92 -4.508 -17.384 0.799 1.00 23.58 O ATOM 1121 CB ARG A 92 -4.321 -20.273 1.025 1.00 28.75 C ATOM 1122 CG ARG A 92 -4.238 -21.747 1.398 1.00 30.87 C ATOM 1123 CD ARG A 92 -3.056 -22.049 2.311 1.00 25.34 C ATOM 1124 NE ARG A 92 -1.788 -21.549 1.778 1.00 25.37 N ATOM 1125 CZ ARG A 92 -1.092 -22.139 0.804 1.00 27.61 C ATOM 1126 NH1 ARG A 92 -1.559 -23.230 0.199 1.00 30.43 N ATOM 1127 NH2 ARG A 92 0.076 -21.635 0.435 1.00 28.83 N ATOM 0 H ARG A 92 -6.127 -20.413 2.898 1.00 27.65 H new ATOM 0 HA ARG A 92 -3.484 -19.154 2.661 1.00 24.26 H new ATOM 0 HB2 ARG A 92 -5.169 -20.128 0.356 1.00 28.75 H new ATOM 0 HB3 ARG A 92 -3.425 -20.002 0.467 1.00 28.75 H new ATOM 0 HG2 ARG A 92 -5.162 -22.046 1.893 1.00 30.87 H new ATOM 0 HG3 ARG A 92 -4.155 -22.345 0.490 1.00 30.87 H new ATOM 0 HD2 ARG A 92 -3.235 -21.603 3.290 1.00 25.34 H new ATOM 0 HD3 ARG A 92 -2.983 -23.126 2.460 1.00 25.34 H new ATOM 0 HE ARG A 92 -1.410 -20.690 2.179 1.00 25.37 H new ATOM 0 HH11 ARG A 92 -2.458 -23.623 0.479 1.00 30.43 H new ATOM 0 HH12 ARG A 92 -1.018 -23.672 -0.544 1.00 30.43 H new ATOM 0 HH21 ARG A 92 0.439 -20.800 0.895 1.00 28.83 H new ATOM 0 HH22 ARG A 92 0.612 -22.082 -0.309 1.00 28.83 H new ATOM 1141 N VAL A 93 -6.107 -17.545 2.371 1.00 22.88 N ATOM 1142 CA VAL A 93 -6.759 -16.303 1.990 1.00 22.13 C ATOM 1143 C VAL A 93 -6.171 -15.107 2.737 1.00 21.42 C ATOM 1144 O VAL A 93 -6.175 -15.057 3.971 1.00 22.34 O ATOM 1145 CB VAL A 93 -8.284 -16.365 2.238 1.00 22.65 C ATOM 1146 CG1 VAL A 93 -8.958 -15.068 1.804 1.00 22.64 C ATOM 1147 CG2 VAL A 93 -8.895 -17.556 1.509 1.00 26.59 C ATOM 0 H VAL A 93 -6.543 -18.027 3.157 1.00 22.88 H new ATOM 0 HA VAL A 93 -6.580 -16.172 0.923 1.00 22.13 H new ATOM 0 HB VAL A 93 -8.450 -16.492 3.308 1.00 22.65 H new ATOM 0 HG11 VAL A 93 -10.030 -15.136 1.988 1.00 22.64 H new ATOM 0 HG12 VAL A 93 -8.544 -14.235 2.372 1.00 22.64 H new ATOM 0 HG13 VAL A 93 -8.782 -14.905 0.741 1.00 22.64 H new ATOM 0 HG21 VAL A 93 -9.969 -17.584 1.695 1.00 26.59 H new ATOM 0 HG22 VAL A 93 -8.714 -17.459 0.438 1.00 26.59 H new ATOM 0 HG23 VAL A 93 -8.440 -18.477 1.872 1.00 26.59 H new ATOM 1157 N TYR A 94 -5.661 -14.156 1.974 1.00 22.73 N ATOM 1158 CA TYR A 94 -5.080 -12.941 2.520 1.00 22.99 C ATOM 1159 C TYR A 94 -5.884 -11.746 2.032 1.00 26.07 C ATOM 1160 O TYR A 94 -6.560 -11.831 1.007 1.00 23.44 O ATOM 1161 CB TYR A 94 -3.614 -12.807 2.103 1.00 21.02 C ATOM 1162 CG TYR A 94 -2.673 -13.677 2.905 1.00 22.31 C ATOM 1163 CD1 TYR A 94 -2.550 -15.037 2.646 1.00 25.65 C ATOM 1164 CD2 TYR A 94 -1.906 -13.133 3.924 1.00 23.62 C ATOM 1165 CE1 TYR A 94 -1.689 -15.828 3.382 1.00 22.18 C ATOM 1166 CE2 TYR A 94 -1.043 -13.915 4.663 1.00 23.29 C ATOM 1167 CZ TYR A 94 -0.937 -15.261 4.390 1.00 22.64 C ATOM 1168 OH TYR A 94 -0.077 -16.041 5.127 1.00 28.22 O ATOM 0 H TYR A 94 -5.638 -14.204 0.955 1.00 22.73 H new ATOM 0 HA TYR A 94 -5.113 -12.983 3.609 1.00 22.99 H new ATOM 0 HB2 TYR A 94 -3.521 -13.063 1.048 1.00 21.02 H new ATOM 0 HB3 TYR A 94 -3.309 -11.766 2.207 1.00 21.02 H new ATOM 0 HD1 TYR A 94 -3.137 -15.483 1.857 1.00 25.65 H new ATOM 0 HD2 TYR A 94 -1.986 -12.078 4.143 1.00 23.62 H new ATOM 0 HE1 TYR A 94 -1.605 -16.884 3.170 1.00 22.18 H new ATOM 0 HE2 TYR A 94 -0.453 -13.474 5.453 1.00 23.29 H new ATOM 0 HH TYR A 94 -0.202 -15.855 6.081 1.00 28.22 H new ATOM 1178 N VAL A 95 -5.820 -10.640 2.753 1.00 24.99 N ATOM 1179 CA VAL A 95 -6.576 -9.458 2.372 1.00 23.89 C ATOM 1180 C VAL A 95 -5.793 -8.167 2.607 1.00 23.26 C ATOM 1181 O VAL A 95 -5.163 -7.975 3.652 1.00 23.44 O ATOM 1182 CB VAL A 95 -7.925 -9.394 3.135 1.00 25.51 C ATOM 1183 CG1 VAL A 95 -7.703 -9.369 4.643 1.00 27.46 C ATOM 1184 CG2 VAL A 95 -8.749 -8.190 2.695 1.00 25.26 C ATOM 0 H VAL A 95 -5.258 -10.535 3.598 1.00 24.99 H new ATOM 0 HA VAL A 95 -6.768 -9.544 1.302 1.00 23.89 H new ATOM 0 HB VAL A 95 -8.485 -10.296 2.889 1.00 25.51 H new ATOM 0 HG11 VAL A 95 -8.666 -9.324 5.152 1.00 27.46 H new ATOM 0 HG12 VAL A 95 -7.173 -10.272 4.948 1.00 27.46 H new ATOM 0 HG13 VAL A 95 -7.111 -8.493 4.909 1.00 27.46 H new ATOM 0 HG21 VAL A 95 -9.689 -8.171 3.247 1.00 25.26 H new ATOM 0 HG22 VAL A 95 -8.192 -7.275 2.896 1.00 25.26 H new ATOM 0 HG23 VAL A 95 -8.956 -8.262 1.627 1.00 25.26 H new ATOM 1194 N LEU A 96 -5.810 -7.304 1.608 1.00 23.86 N ATOM 1195 CA LEU A 96 -5.171 -6.008 1.697 1.00 23.96 C ATOM 1196 C LEU A 96 -6.230 -5.008 2.132 1.00 23.08 C ATOM 1197 O LEU A 96 -7.002 -4.502 1.314 1.00 24.63 O ATOM 1198 CB LEU A 96 -4.552 -5.609 0.353 1.00 22.80 C ATOM 1199 CG LEU A 96 -3.759 -4.296 0.348 1.00 24.99 C ATOM 1200 CD1 LEU A 96 -2.637 -4.331 1.371 1.00 27.30 C ATOM 1201 CD2 LEU A 96 -3.200 -4.025 -1.039 1.00 30.96 C ATOM 0 H LEU A 96 -6.267 -7.483 0.714 1.00 23.86 H new ATOM 0 HA LEU A 96 -4.356 -6.034 2.421 1.00 23.96 H new ATOM 0 HB2 LEU A 96 -3.891 -6.412 0.026 1.00 22.80 H new ATOM 0 HB3 LEU A 96 -5.350 -5.532 -0.385 1.00 22.80 H new ATOM 0 HG LEU A 96 -4.439 -3.488 0.620 1.00 24.99 H new ATOM 0 HD11 LEU A 96 -2.092 -3.388 1.345 1.00 27.30 H new ATOM 0 HD12 LEU A 96 -3.056 -4.481 2.366 1.00 27.30 H new ATOM 0 HD13 LEU A 96 -1.957 -5.150 1.137 1.00 27.30 H new ATOM 0 HD21 LEU A 96 -2.639 -3.090 -1.029 1.00 30.96 H new ATOM 0 HD22 LEU A 96 -2.539 -4.841 -1.331 1.00 30.96 H new ATOM 0 HD23 LEU A 96 -4.020 -3.949 -1.753 1.00 30.96 H new ATOM 1213 N LYS A 97 -6.291 -4.776 3.430 1.00 24.23 N ATOM 1214 CA LYS A 97 -7.276 -3.879 4.007 1.00 27.23 C ATOM 1215 C LYS A 97 -6.776 -2.445 4.040 1.00 29.52 C ATOM 1216 O LYS A 97 -5.806 -2.124 4.727 1.00 33.87 O ATOM 1217 CB LYS A 97 -7.633 -4.348 5.421 1.00 30.73 C ATOM 1218 CG LYS A 97 -8.390 -3.318 6.246 1.00 37.27 C ATOM 1219 CD LYS A 97 -8.674 -3.835 7.644 1.00 43.28 C ATOM 1220 CE LYS A 97 -8.988 -2.705 8.610 1.00 47.29 C ATOM 1221 NZ LYS A 97 -7.799 -1.849 8.873 1.00 53.53 N ATOM 0 H LYS A 97 -5.663 -5.201 4.112 1.00 24.23 H new ATOM 0 HA LYS A 97 -8.166 -3.902 3.378 1.00 27.23 H new ATOM 0 HB2 LYS A 97 -8.235 -5.254 5.350 1.00 30.73 H new ATOM 0 HB3 LYS A 97 -6.716 -4.615 5.946 1.00 30.73 H new ATOM 0 HG2 LYS A 97 -7.808 -2.398 6.307 1.00 37.27 H new ATOM 0 HG3 LYS A 97 -9.328 -3.069 5.750 1.00 37.27 H new ATOM 0 HD2 LYS A 97 -9.514 -4.529 7.611 1.00 43.28 H new ATOM 0 HD3 LYS A 97 -7.812 -4.395 8.007 1.00 43.28 H new ATOM 0 HE2 LYS A 97 -9.792 -2.093 8.202 1.00 47.29 H new ATOM 0 HE3 LYS A 97 -9.350 -3.122 9.550 1.00 47.29 H new ATOM 0 HZ1 LYS A 97 -8.028 -1.154 9.612 1.00 53.53 H new ATOM 0 HZ2 LYS A 97 -7.007 -2.443 9.190 1.00 53.53 H new ATOM 0 HZ3 LYS A 97 -7.530 -1.351 8.001 1.00 53.53 H new ATOM 1235 N PHE A 98 -7.439 -1.589 3.292 1.00 28.54 N ATOM 1236 CA PHE A 98 -7.083 -0.185 3.255 1.00 32.00 C ATOM 1237 C PHE A 98 -7.806 0.546 4.376 1.00 41.30 C ATOM 1238 O PHE A 98 -9.032 0.473 4.481 1.00 40.71 O ATOM 1239 CB PHE A 98 -7.449 0.430 1.900 1.00 34.75 C ATOM 1240 CG PHE A 98 -6.670 -0.132 0.744 1.00 36.16 C ATOM 1241 CD1 PHE A 98 -7.060 -1.315 0.140 1.00 38.20 C ATOM 1242 CD2 PHE A 98 -5.555 0.525 0.260 1.00 39.29 C ATOM 1243 CE1 PHE A 98 -6.350 -1.832 -0.924 1.00 37.36 C ATOM 1244 CE2 PHE A 98 -4.840 0.015 -0.806 1.00 37.59 C ATOM 1245 CZ PHE A 98 -5.238 -1.165 -1.399 1.00 41.72 C ATOM 0 H PHE A 98 -8.230 -1.841 2.699 1.00 28.54 H new ATOM 0 HA PHE A 98 -6.006 -0.087 3.392 1.00 32.00 H new ATOM 0 HB2 PHE A 98 -8.512 0.276 1.718 1.00 34.75 H new ATOM 0 HB3 PHE A 98 -7.286 1.507 1.945 1.00 34.75 H new ATOM 0 HD1 PHE A 98 -7.930 -1.839 0.506 1.00 38.20 H new ATOM 0 HD2 PHE A 98 -5.239 1.449 0.721 1.00 39.29 H new ATOM 0 HE1 PHE A 98 -6.663 -2.757 -1.385 1.00 37.36 H new ATOM 0 HE2 PHE A 98 -3.971 0.539 -1.175 1.00 37.59 H new ATOM 0 HZ PHE A 98 -4.681 -1.566 -2.233 1.00 41.72 H new ATOM 1255 N LYS A 99 -7.048 1.238 5.220 1.00 39.61 N ATOM 1256 CA LYS A 99 -7.627 1.980 6.337 1.00 51.59 C ATOM 1257 C LYS A 99 -8.369 3.212 5.828 1.00 53.57 C ATOM 1258 O LYS A 99 -9.085 3.882 6.575 1.00 58.09 O ATOM 1259 CB LYS A 99 -6.540 2.397 7.335 1.00 54.03 C ATOM 1260 CG LYS A 99 -5.952 1.236 8.122 1.00 57.71 C ATOM 1261 CD LYS A 99 -5.106 1.729 9.286 1.00 58.04 C ATOM 1262 CE LYS A 99 -4.486 0.575 10.055 1.00 58.77 C ATOM 1263 NZ LYS A 99 -3.620 1.052 11.167 1.00 59.82 N ATOM 0 H LYS A 99 -6.032 1.301 5.153 1.00 39.61 H new ATOM 0 HA LYS A 99 -8.334 1.327 6.848 1.00 51.59 H new ATOM 0 HB2 LYS A 99 -5.738 2.901 6.795 1.00 54.03 H new ATOM 0 HB3 LYS A 99 -6.959 3.122 8.033 1.00 54.03 H new ATOM 0 HG2 LYS A 99 -6.757 0.604 8.497 1.00 57.71 H new ATOM 0 HG3 LYS A 99 -5.342 0.619 7.462 1.00 57.71 H new ATOM 0 HD2 LYS A 99 -4.318 2.383 8.912 1.00 58.04 H new ATOM 0 HD3 LYS A 99 -5.723 2.325 9.958 1.00 58.04 H new ATOM 0 HE2 LYS A 99 -5.276 -0.060 10.456 1.00 58.77 H new ATOM 0 HE3 LYS A 99 -3.897 -0.040 9.375 1.00 58.77 H new ATOM 0 HZ1 LYS A 99 -3.574 0.324 11.908 1.00 59.82 H new ATOM 0 HZ2 LYS A 99 -2.663 1.239 10.806 1.00 59.82 H new ATOM 0 HZ3 LYS A 99 -4.017 1.927 11.565 1.00 59.82 H new ATOM 1277 N ALA A 100 -8.183 3.499 4.550 1.00 57.45 N ATOM 1278 CA ALA A 100 -8.818 4.632 3.909 1.00 59.65 C ATOM 1279 C ALA A 100 -9.529 4.182 2.644 1.00 62.53 C ATOM 1280 O ALA A 100 -9.046 3.303 1.933 1.00 66.68 O ATOM 1281 CB ALA A 100 -7.779 5.697 3.594 1.00 58.23 C ATOM 0 H ALA A 100 -7.587 2.951 3.930 1.00 57.45 H new ATOM 0 HA ALA A 100 -9.558 5.060 4.585 1.00 59.65 H new ATOM 0 HB1 ALA A 100 -8.263 6.546 3.112 1.00 58.23 H new ATOM 0 HB2 ALA A 100 -7.304 6.026 4.518 1.00 58.23 H new ATOM 0 HB3 ALA A 100 -7.024 5.283 2.926 1.00 58.23 H new ATOM 1287 N GLY A 101 -10.700 4.748 2.396 1.00 63.08 N ATOM 1288 CA GLY A 101 -11.457 4.405 1.207 1.00 61.32 C ATOM 1289 C GLY A 101 -12.295 3.154 1.383 1.00 61.66 C ATOM 1290 O GLY A 101 -13.132 2.841 0.535 1.00 64.05 O ATOM 0 H GLY A 101 -11.143 5.442 2.999 1.00 63.08 H new ATOM 0 HA2 GLY A 101 -12.108 5.239 0.944 1.00 61.32 H new ATOM 0 HA3 GLY A 101 -10.770 4.262 0.373 1.00 61.32 H new ATOM 1294 N SER A 102 -12.061 2.444 2.487 1.00 58.97 N ATOM 1295 CA SER A 102 -12.785 1.213 2.801 1.00 58.40 C ATOM 1296 C SER A 102 -12.583 0.152 1.714 1.00 54.28 C ATOM 1297 O SER A 102 -13.458 -0.680 1.470 1.00 53.70 O ATOM 1298 CB SER A 102 -14.273 1.513 2.979 1.00 61.16 C ATOM 1299 OG SER A 102 -14.466 2.651 3.807 1.00 65.44 O ATOM 0 H SER A 102 -11.366 2.705 3.187 1.00 58.97 H new ATOM 0 HA SER A 102 -12.385 0.814 3.733 1.00 58.40 H new ATOM 0 HB2 SER A 102 -14.732 1.685 2.006 1.00 61.16 H new ATOM 0 HB3 SER A 102 -14.772 0.650 3.419 1.00 61.16 H new ATOM 0 HG SER A 102 -15.425 2.825 3.905 1.00 65.44 H new ATOM 1305 N LYS A 103 -11.421 0.179 1.075 1.00 42.18 N ATOM 1306 CA LYS A 103 -11.114 -0.777 0.021 1.00 39.27 C ATOM 1307 C LYS A 103 -10.492 -2.039 0.613 1.00 32.13 C ATOM 1308 O LYS A 103 -9.685 -1.968 1.543 1.00 30.46 O ATOM 1309 CB LYS A 103 -10.173 -0.150 -1.017 1.00 41.30 C ATOM 1310 CG LYS A 103 -10.002 -0.990 -2.274 1.00 45.61 C ATOM 1311 CD LYS A 103 -9.145 -0.282 -3.313 1.00 48.56 C ATOM 1312 CE LYS A 103 -8.971 -1.129 -4.564 1.00 52.94 C ATOM 1313 NZ LYS A 103 -10.235 -1.246 -5.340 1.00 56.96 N ATOM 0 H LYS A 103 -10.678 0.851 1.268 1.00 42.18 H new ATOM 0 HA LYS A 103 -12.043 -1.051 -0.479 1.00 39.27 H new ATOM 0 HB2 LYS A 103 -10.556 0.831 -1.296 1.00 41.30 H new ATOM 0 HB3 LYS A 103 -9.196 0.008 -0.560 1.00 41.30 H new ATOM 0 HG2 LYS A 103 -9.544 -1.944 -2.014 1.00 45.61 H new ATOM 0 HG3 LYS A 103 -10.981 -1.211 -2.700 1.00 45.61 H new ATOM 0 HD2 LYS A 103 -9.605 0.670 -3.578 1.00 48.56 H new ATOM 0 HD3 LYS A 103 -8.168 -0.056 -2.887 1.00 48.56 H new ATOM 0 HE2 LYS A 103 -8.198 -0.689 -5.195 1.00 52.94 H new ATOM 0 HE3 LYS A 103 -8.625 -2.124 -4.283 1.00 52.94 H new ATOM 0 HZ1 LYS A 103 -10.049 -1.744 -6.234 1.00 56.96 H new ATOM 0 HZ2 LYS A 103 -10.935 -1.779 -4.785 1.00 56.96 H new ATOM 0 HZ3 LYS A 103 -10.606 -0.296 -5.544 1.00 56.96 H new ATOM 1327 N ARG A 104 -10.886 -3.191 0.088 1.00 31.79 N ATOM 1328 CA ARG A 104 -10.368 -4.471 0.560 1.00 29.38 C ATOM 1329 C ARG A 104 -10.101 -5.398 -0.620 1.00 27.45 C ATOM 1330 O ARG A 104 -11.014 -5.719 -1.381 1.00 30.91 O ATOM 1331 CB ARG A 104 -11.363 -5.134 1.523 1.00 29.71 C ATOM 1332 CG ARG A 104 -11.695 -4.290 2.744 1.00 34.22 C ATOM 1333 CD ARG A 104 -12.938 -4.804 3.451 1.00 37.47 C ATOM 1334 NE ARG A 104 -13.369 -3.911 4.526 1.00 40.87 N ATOM 1335 CZ ARG A 104 -14.344 -3.010 4.402 1.00 41.17 C ATOM 1336 NH1 ARG A 104 -14.996 -2.879 3.252 1.00 43.44 N ATOM 1337 NH2 ARG A 104 -14.664 -2.234 5.429 1.00 45.95 N ATOM 0 H ARG A 104 -11.566 -3.267 -0.669 1.00 31.79 H new ATOM 0 HA ARG A 104 -9.434 -4.287 1.091 1.00 29.38 H new ATOM 0 HB2 ARG A 104 -12.284 -5.353 0.984 1.00 29.71 H new ATOM 0 HB3 ARG A 104 -10.953 -6.088 1.854 1.00 29.71 H new ATOM 0 HG2 ARG A 104 -10.852 -4.299 3.435 1.00 34.22 H new ATOM 0 HG3 ARG A 104 -11.849 -3.254 2.442 1.00 34.22 H new ATOM 0 HD2 ARG A 104 -13.746 -4.916 2.728 1.00 37.47 H new ATOM 0 HD3 ARG A 104 -12.738 -5.794 3.861 1.00 37.47 H new ATOM 0 HE ARG A 104 -12.894 -3.982 5.426 1.00 40.87 H new ATOM 0 HH11 ARG A 104 -14.752 -3.470 2.457 1.00 43.44 H new ATOM 0 HH12 ARG A 104 -15.741 -2.188 3.164 1.00 43.44 H new ATOM 0 HH21 ARG A 104 -14.164 -2.327 6.313 1.00 45.95 H new ATOM 0 HH22 ARG A 104 -15.410 -1.545 5.334 1.00 45.95 H new ATOM 1351 N LEU A 105 -8.853 -5.813 -0.778 1.00 23.75 N ATOM 1352 CA LEU A 105 -8.480 -6.710 -1.866 1.00 24.35 C ATOM 1353 C LEU A 105 -8.131 -8.084 -1.314 1.00 24.13 C ATOM 1354 O LEU A 105 -7.267 -8.207 -0.450 1.00 23.73 O ATOM 1355 CB LEU A 105 -7.290 -6.148 -2.648 1.00 25.87 C ATOM 1356 CG LEU A 105 -7.560 -4.855 -3.417 1.00 32.66 C ATOM 1357 CD1 LEU A 105 -6.286 -4.361 -4.085 1.00 35.05 C ATOM 1358 CD2 LEU A 105 -8.659 -5.065 -4.449 1.00 35.88 C ATOM 0 H LEU A 105 -8.081 -5.544 -0.168 1.00 23.75 H new ATOM 0 HA LEU A 105 -9.330 -6.799 -2.543 1.00 24.35 H new ATOM 0 HB2 LEU A 105 -6.470 -5.972 -1.951 1.00 25.87 H new ATOM 0 HB3 LEU A 105 -6.951 -6.906 -3.354 1.00 25.87 H new ATOM 0 HG LEU A 105 -7.896 -4.096 -2.710 1.00 32.66 H new ATOM 0 HD11 LEU A 105 -6.494 -3.440 -4.629 1.00 35.05 H new ATOM 0 HD12 LEU A 105 -5.527 -4.171 -3.326 1.00 35.05 H new ATOM 0 HD13 LEU A 105 -5.922 -5.118 -4.780 1.00 35.05 H new ATOM 0 HD21 LEU A 105 -8.837 -4.133 -4.986 1.00 35.88 H new ATOM 0 HD22 LEU A 105 -8.353 -5.838 -5.154 1.00 35.88 H new ATOM 0 HD23 LEU A 105 -9.575 -5.375 -3.947 1.00 35.88 H new ATOM 1370 N PHE A 106 -8.805 -9.110 -1.807 1.00 21.94 N ATOM 1371 CA PHE A 106 -8.566 -10.471 -1.344 1.00 21.33 C ATOM 1372 C PHE A 106 -7.677 -11.240 -2.316 1.00 21.73 C ATOM 1373 O PHE A 106 -7.845 -11.149 -3.534 1.00 21.19 O ATOM 1374 CB PHE A 106 -9.891 -11.209 -1.157 1.00 22.93 C ATOM 1375 CG PHE A 106 -10.644 -10.801 0.077 1.00 22.29 C ATOM 1376 CD1 PHE A 106 -11.426 -9.657 0.082 1.00 24.62 C ATOM 1377 CD2 PHE A 106 -10.573 -11.566 1.230 1.00 23.36 C ATOM 1378 CE1 PHE A 106 -12.121 -9.283 1.215 1.00 25.44 C ATOM 1379 CE2 PHE A 106 -11.267 -11.197 2.366 1.00 24.37 C ATOM 1380 CZ PHE A 106 -12.043 -10.055 2.359 1.00 26.43 C ATOM 0 H PHE A 106 -9.522 -9.028 -2.528 1.00 21.94 H new ATOM 0 HA PHE A 106 -8.050 -10.410 -0.386 1.00 21.33 H new ATOM 0 HB2 PHE A 106 -10.520 -11.033 -2.030 1.00 22.93 H new ATOM 0 HB3 PHE A 106 -9.696 -12.281 -1.115 1.00 22.93 H new ATOM 0 HD1 PHE A 106 -11.493 -9.051 -0.810 1.00 24.62 H new ATOM 0 HD2 PHE A 106 -9.968 -12.461 1.241 1.00 23.36 H new ATOM 0 HE1 PHE A 106 -12.725 -8.388 1.207 1.00 25.44 H new ATOM 0 HE2 PHE A 106 -11.203 -11.801 3.259 1.00 24.37 H new ATOM 0 HZ PHE A 106 -12.588 -9.766 3.245 1.00 26.43 H new ATOM 1390 N PHE A 107 -6.730 -11.987 -1.763 1.00 22.09 N ATOM 1391 CA PHE A 107 -5.802 -12.788 -2.552 1.00 20.70 C ATOM 1392 C PHE A 107 -5.625 -14.156 -1.902 1.00 23.14 C ATOM 1393 O PHE A 107 -5.795 -14.296 -0.692 1.00 23.83 O ATOM 1394 CB PHE A 107 -4.433 -12.099 -2.645 1.00 22.84 C ATOM 1395 CG PHE A 107 -4.454 -10.736 -3.279 1.00 24.08 C ATOM 1396 CD1 PHE A 107 -4.421 -10.597 -4.656 1.00 23.22 C ATOM 1397 CD2 PHE A 107 -4.499 -9.594 -2.495 1.00 23.74 C ATOM 1398 CE1 PHE A 107 -4.436 -9.344 -5.240 1.00 24.41 C ATOM 1399 CE2 PHE A 107 -4.515 -8.339 -3.073 1.00 23.14 C ATOM 1400 CZ PHE A 107 -4.483 -8.213 -4.447 1.00 23.57 C ATOM 0 H PHE A 107 -6.583 -12.055 -0.756 1.00 22.09 H new ATOM 0 HA PHE A 107 -6.213 -12.900 -3.555 1.00 20.70 H new ATOM 0 HB2 PHE A 107 -4.018 -12.011 -1.641 1.00 22.84 H new ATOM 0 HB3 PHE A 107 -3.758 -12.738 -3.214 1.00 22.84 H new ATOM 0 HD1 PHE A 107 -4.383 -11.477 -5.281 1.00 23.22 H new ATOM 0 HD2 PHE A 107 -4.522 -9.686 -1.419 1.00 23.74 H new ATOM 0 HE1 PHE A 107 -4.411 -9.249 -6.316 1.00 24.41 H new ATOM 0 HE2 PHE A 107 -4.553 -7.458 -2.450 1.00 23.14 H new ATOM 0 HZ PHE A 107 -4.495 -7.233 -4.901 1.00 23.57 H new ATOM 1410 N TRP A 108 -5.290 -15.163 -2.692 1.00 23.10 N ATOM 1411 CA TRP A 108 -5.077 -16.499 -2.154 1.00 21.46 C ATOM 1412 C TRP A 108 -3.753 -17.068 -2.658 1.00 22.39 C ATOM 1413 O TRP A 108 -3.499 -17.116 -3.865 1.00 23.19 O ATOM 1414 CB TRP A 108 -6.260 -17.438 -2.464 1.00 25.96 C ATOM 1415 CG TRP A 108 -6.601 -17.588 -3.921 1.00 24.14 C ATOM 1416 CD1 TRP A 108 -7.314 -16.717 -4.697 1.00 25.63 C ATOM 1417 CD2 TRP A 108 -6.274 -18.698 -4.763 1.00 26.30 C ATOM 1418 NE1 TRP A 108 -7.429 -17.210 -5.976 1.00 26.49 N ATOM 1419 CE2 TRP A 108 -6.799 -18.426 -6.041 1.00 25.85 C ATOM 1420 CE3 TRP A 108 -5.575 -19.893 -4.563 1.00 27.47 C ATOM 1421 CZ2 TRP A 108 -6.655 -19.310 -7.109 1.00 28.46 C ATOM 1422 CZ3 TRP A 108 -5.433 -20.769 -5.624 1.00 29.27 C ATOM 1423 CH2 TRP A 108 -5.969 -20.472 -6.883 1.00 28.29 C ATOM 0 H TRP A 108 -5.160 -15.084 -3.701 1.00 23.10 H new ATOM 0 HA TRP A 108 -5.021 -16.422 -1.068 1.00 21.46 H new ATOM 0 HB2 TRP A 108 -6.035 -18.424 -2.058 1.00 25.96 H new ATOM 0 HB3 TRP A 108 -7.141 -17.070 -1.938 1.00 25.96 H new ATOM 0 HD1 TRP A 108 -7.727 -15.779 -4.356 1.00 25.63 H new ATOM 0 HE1 TRP A 108 -7.905 -16.747 -6.750 1.00 26.49 H new ATOM 0 HE3 TRP A 108 -5.153 -20.128 -3.597 1.00 27.47 H new ATOM 0 HZ2 TRP A 108 -7.070 -19.086 -8.080 1.00 28.46 H new ATOM 0 HZ3 TRP A 108 -4.900 -21.697 -5.479 1.00 29.27 H new ATOM 0 HH2 TRP A 108 -5.838 -21.175 -7.693 1.00 28.29 H new ATOM 1434 N MET A 109 -2.909 -17.469 -1.715 1.00 22.47 N ATOM 1435 CA MET A 109 -1.592 -18.018 -2.022 1.00 22.63 C ATOM 1436 C MET A 109 -1.697 -19.285 -2.860 1.00 23.51 C ATOM 1437 O MET A 109 -2.450 -20.202 -2.527 1.00 25.87 O ATOM 1438 CB MET A 109 -0.829 -18.332 -0.731 1.00 22.83 C ATOM 1439 CG MET A 109 -0.537 -17.119 0.139 1.00 24.26 C ATOM 1440 SD MET A 109 0.777 -16.078 -0.525 1.00 28.54 S ATOM 1441 CE MET A 109 0.912 -14.856 0.777 1.00 27.29 C ATOM 0 H MET A 109 -3.117 -17.423 -0.717 1.00 22.47 H new ATOM 0 HA MET A 109 -1.052 -17.264 -2.595 1.00 22.63 H new ATOM 0 HB2 MET A 109 -1.405 -19.051 -0.149 1.00 22.83 H new ATOM 0 HB3 MET A 109 0.114 -18.814 -0.989 1.00 22.83 H new ATOM 0 HG2 MET A 109 -1.446 -16.526 0.243 1.00 24.26 H new ATOM 0 HG3 MET A 109 -0.258 -17.454 1.138 1.00 24.26 H new ATOM 0 HE1 MET A 109 1.687 -14.134 0.519 1.00 27.29 H new ATOM 0 HE2 MET A 109 -0.041 -14.340 0.892 1.00 27.29 H new ATOM 0 HE3 MET A 109 1.173 -15.349 1.713 1.00 27.29 H new ATOM 1451 N GLN A 110 -0.933 -19.334 -3.945 1.00 23.09 N ATOM 1452 CA GLN A 110 -0.924 -20.496 -4.821 1.00 24.00 C ATOM 1453 C GLN A 110 0.285 -21.371 -4.510 1.00 32.58 C ATOM 1454 O GLN A 110 0.667 -22.238 -5.300 1.00 41.60 O ATOM 1455 CB GLN A 110 -0.913 -20.064 -6.290 1.00 22.67 C ATOM 1456 CG GLN A 110 -2.227 -19.454 -6.751 1.00 25.04 C ATOM 1457 CD GLN A 110 -2.209 -19.053 -8.213 1.00 22.04 C ATOM 1458 OE1 GLN A 110 -1.168 -18.699 -8.760 1.00 24.50 O ATOM 1459 NE2 GLN A 110 -3.365 -19.105 -8.853 1.00 24.22 N ATOM 0 H GLN A 110 -0.311 -18.580 -4.238 1.00 23.09 H new ATOM 0 HA GLN A 110 -1.831 -21.075 -4.646 1.00 24.00 H new ATOM 0 HB2 GLN A 110 -0.112 -19.340 -6.442 1.00 22.67 H new ATOM 0 HB3 GLN A 110 -0.684 -20.928 -6.913 1.00 22.67 H new ATOM 0 HG2 GLN A 110 -3.032 -20.170 -6.585 1.00 25.04 H new ATOM 0 HG3 GLN A 110 -2.449 -18.578 -6.142 1.00 25.04 H new ATOM 0 HE21 GLN A 110 -4.207 -19.405 -8.362 1.00 24.22 H new ATOM 0 HE22 GLN A 110 -3.415 -18.845 -9.838 1.00 24.22 H new ATOM 1468 N GLU A 111 0.873 -21.130 -3.342 1.00 34.19 N ATOM 1469 CA GLU A 111 2.036 -21.878 -2.879 1.00 41.70 C ATOM 1470 C GLU A 111 1.633 -23.287 -2.453 1.00 40.45 C ATOM 1471 O GLU A 111 0.620 -23.466 -1.772 1.00 39.75 O ATOM 1472 CB GLU A 111 2.691 -21.150 -1.702 1.00 41.38 C ATOM 1473 CG GLU A 111 3.385 -19.859 -2.094 1.00 49.79 C ATOM 1474 CD GLU A 111 4.798 -20.092 -2.584 1.00 48.44 C ATOM 1475 OE1 GLU A 111 4.975 -20.445 -3.766 1.00 32.00 O ATOM 1476 OE2 GLU A 111 5.745 -19.918 -1.787 1.00 43.83 O ATOM 0 H GLU A 111 0.557 -20.411 -2.691 1.00 34.19 H new ATOM 0 HA GLU A 111 2.749 -21.951 -3.700 1.00 41.70 H new ATOM 0 HB2 GLU A 111 1.930 -20.930 -0.953 1.00 41.38 H new ATOM 0 HB3 GLU A 111 3.417 -21.815 -1.233 1.00 41.38 H new ATOM 0 HG2 GLU A 111 2.809 -19.362 -2.875 1.00 49.79 H new ATOM 0 HG3 GLU A 111 3.406 -19.186 -1.237 1.00 49.79 H new ATOM 1483 N PRO A 112 2.420 -24.300 -2.846 1.00 48.55 N ATOM 1484 CA PRO A 112 2.141 -25.698 -2.506 1.00 46.93 C ATOM 1485 C PRO A 112 2.224 -25.963 -1.006 1.00 45.48 C ATOM 1486 O PRO A 112 1.487 -26.789 -0.472 1.00 48.59 O ATOM 1487 CB PRO A 112 3.231 -26.480 -3.247 1.00 49.91 C ATOM 1488 CG PRO A 112 4.318 -25.493 -3.496 1.00 50.19 C ATOM 1489 CD PRO A 112 3.641 -24.163 -3.660 1.00 49.44 C ATOM 0 HA PRO A 112 1.128 -25.984 -2.790 1.00 46.93 H new ATOM 0 HB2 PRO A 112 3.589 -27.318 -2.650 1.00 49.91 H new ATOM 0 HB3 PRO A 112 2.853 -26.893 -4.182 1.00 49.91 H new ATOM 0 HG2 PRO A 112 5.023 -25.472 -2.665 1.00 50.19 H new ATOM 0 HG3 PRO A 112 4.885 -25.755 -4.389 1.00 50.19 H new ATOM 0 HD2 PRO A 112 4.270 -23.346 -3.307 1.00 49.44 H new ATOM 0 HD3 PRO A 112 3.407 -23.957 -4.704 1.00 49.44 H new ATOM 1497 N LYS A 113 3.121 -25.258 -0.325 1.00 45.43 N ATOM 1498 CA LYS A 113 3.289 -25.432 1.110 1.00 45.69 C ATOM 1499 C LYS A 113 2.984 -24.141 1.852 1.00 44.46 C ATOM 1500 O LYS A 113 3.164 -23.048 1.317 1.00 42.11 O ATOM 1501 CB LYS A 113 4.712 -25.888 1.437 1.00 48.90 C ATOM 1502 CG LYS A 113 5.010 -27.320 1.029 1.00 48.99 C ATOM 1503 CD LYS A 113 6.396 -27.742 1.487 1.00 65.37 C ATOM 1504 CE LYS A 113 6.607 -29.238 1.345 1.00 71.52 C ATOM 1505 NZ LYS A 113 7.957 -29.647 1.813 1.00 69.62 N ATOM 0 H LYS A 113 3.740 -24.564 -0.743 1.00 45.43 H new ATOM 0 HA LYS A 113 2.586 -26.199 1.435 1.00 45.69 H new ATOM 0 HB2 LYS A 113 5.419 -25.224 0.939 1.00 48.90 H new ATOM 0 HB3 LYS A 113 4.879 -25.784 2.509 1.00 48.90 H new ATOM 0 HG2 LYS A 113 4.263 -27.987 1.459 1.00 48.99 H new ATOM 0 HG3 LYS A 113 4.937 -27.416 -0.054 1.00 48.99 H new ATOM 0 HD2 LYS A 113 7.148 -27.212 0.903 1.00 65.37 H new ATOM 0 HD3 LYS A 113 6.538 -27.452 2.528 1.00 65.37 H new ATOM 0 HE2 LYS A 113 5.846 -29.769 1.917 1.00 71.52 H new ATOM 0 HE3 LYS A 113 6.480 -29.526 0.302 1.00 71.52 H new ATOM 0 HZ1 LYS A 113 8.066 -30.675 1.701 1.00 69.62 H new ATOM 0 HZ2 LYS A 113 8.682 -29.159 1.250 1.00 69.62 H new ATOM 0 HZ3 LYS A 113 8.068 -29.394 2.816 1.00 69.62 H new ATOM 1519 N THR A 114 2.526 -24.279 3.085 1.00 40.64 N ATOM 1520 CA THR A 114 2.194 -23.137 3.922 1.00 36.42 C ATOM 1521 C THR A 114 3.392 -22.722 4.775 1.00 31.64 C ATOM 1522 O THR A 114 3.288 -21.843 5.629 1.00 32.89 O ATOM 1523 CB THR A 114 1.012 -23.480 4.845 1.00 39.21 C ATOM 1524 OG1 THR A 114 0.700 -24.878 4.735 1.00 43.02 O ATOM 1525 CG2 THR A 114 -0.212 -22.657 4.492 1.00 38.60 C ATOM 0 H THR A 114 2.374 -25.182 3.533 1.00 40.64 H new ATOM 0 HA THR A 114 1.920 -22.310 3.268 1.00 36.42 H new ATOM 0 HB THR A 114 1.300 -23.246 5.870 1.00 39.21 H new ATOM 0 HG1 THR A 114 1.393 -25.404 5.185 1.00 43.02 H new ATOM 0 HG21 THR A 114 -1.032 -22.920 5.160 1.00 38.60 H new ATOM 0 HG22 THR A 114 0.019 -21.597 4.600 1.00 38.60 H new ATOM 0 HG23 THR A 114 -0.503 -22.862 3.462 1.00 38.60 H new ATOM 1533 N ASP A 115 4.534 -23.351 4.523 1.00 30.92 N ATOM 1534 CA ASP A 115 5.756 -23.073 5.275 1.00 38.80 C ATOM 1535 C ASP A 115 6.322 -21.688 4.963 1.00 35.23 C ATOM 1536 O ASP A 115 7.246 -21.222 5.634 1.00 36.70 O ATOM 1537 CB ASP A 115 6.816 -24.139 4.985 1.00 44.02 C ATOM 1538 CG ASP A 115 6.749 -25.299 5.953 1.00 54.03 C ATOM 1539 OD1 ASP A 115 7.354 -25.211 7.040 1.00 66.15 O ATOM 1540 OD2 ASP A 115 6.089 -26.309 5.633 1.00 54.30 O ATOM 0 H ASP A 115 4.641 -24.062 3.799 1.00 30.92 H new ATOM 0 HA ASP A 115 5.492 -23.096 6.332 1.00 38.80 H new ATOM 0 HB2 ASP A 115 6.685 -24.510 3.968 1.00 44.02 H new ATOM 0 HB3 ASP A 115 7.806 -23.685 5.034 1.00 44.02 H new ATOM 1545 N GLN A 116 5.773 -21.032 3.947 1.00 32.65 N ATOM 1546 CA GLN A 116 6.234 -19.704 3.561 1.00 32.85 C ATOM 1547 C GLN A 116 5.063 -18.756 3.318 1.00 25.51 C ATOM 1548 O GLN A 116 5.229 -17.704 2.701 1.00 27.64 O ATOM 1549 CB GLN A 116 7.102 -19.794 2.304 1.00 36.33 C ATOM 1550 CG GLN A 116 8.588 -19.899 2.597 1.00 43.53 C ATOM 1551 CD GLN A 116 9.407 -20.161 1.352 1.00 46.84 C ATOM 1552 OE1 GLN A 116 9.019 -19.781 0.244 1.00 54.73 O ATOM 1553 NE2 GLN A 116 10.543 -20.816 1.521 1.00 50.07 N ATOM 0 H GLN A 116 5.010 -21.397 3.377 1.00 32.65 H new ATOM 0 HA GLN A 116 6.827 -19.304 4.383 1.00 32.85 H new ATOM 0 HB2 GLN A 116 6.793 -20.662 1.721 1.00 36.33 H new ATOM 0 HB3 GLN A 116 6.923 -18.914 1.686 1.00 36.33 H new ATOM 0 HG2 GLN A 116 8.929 -18.975 3.065 1.00 43.53 H new ATOM 0 HG3 GLN A 116 8.758 -20.701 3.315 1.00 43.53 H new ATOM 0 HE21 GLN A 116 10.827 -21.112 2.455 1.00 50.07 H new ATOM 0 HE22 GLN A 116 11.136 -21.025 0.718 1.00 50.07 H new ATOM 1562 N ASP A 117 3.890 -19.116 3.824 1.00 25.38 N ATOM 1563 CA ASP A 117 2.695 -18.290 3.643 1.00 24.59 C ATOM 1564 C ASP A 117 2.836 -16.965 4.383 1.00 23.14 C ATOM 1565 O ASP A 117 2.881 -15.895 3.766 1.00 23.30 O ATOM 1566 CB ASP A 117 1.452 -19.034 4.129 1.00 24.94 C ATOM 1567 CG ASP A 117 0.534 -19.432 2.991 1.00 26.91 C ATOM 1568 OD1 ASP A 117 1.030 -19.641 1.865 1.00 27.07 O ATOM 1569 OD2 ASP A 117 -0.687 -19.565 3.224 1.00 29.31 O ATOM 0 H ASP A 117 3.737 -19.970 4.361 1.00 25.38 H new ATOM 0 HA ASP A 117 2.586 -18.081 2.579 1.00 24.59 H new ATOM 0 HB2 ASP A 117 1.757 -19.927 4.675 1.00 24.94 H new ATOM 0 HB3 ASP A 117 0.905 -18.403 4.829 1.00 24.94 H new ATOM 1574 N GLU A 118 2.929 -17.043 5.704 1.00 27.03 N ATOM 1575 CA GLU A 118 3.076 -15.859 6.537 1.00 26.55 C ATOM 1576 C GLU A 118 4.377 -15.139 6.203 1.00 23.71 C ATOM 1577 O GLU A 118 4.459 -13.916 6.286 1.00 25.11 O ATOM 1578 CB GLU A 118 3.046 -16.239 8.016 1.00 32.75 C ATOM 1579 CG GLU A 118 1.709 -16.799 8.475 1.00 36.67 C ATOM 1580 CD GLU A 118 0.652 -15.731 8.667 1.00 51.49 C ATOM 1581 OE1 GLU A 118 0.144 -15.189 7.663 1.00 49.04 O ATOM 1582 OE2 GLU A 118 0.303 -15.439 9.831 1.00 61.12 O ATOM 0 H GLU A 118 2.905 -17.920 6.223 1.00 27.03 H new ATOM 0 HA GLU A 118 2.241 -15.187 6.336 1.00 26.55 H new ATOM 0 HB2 GLU A 118 3.825 -16.977 8.208 1.00 32.75 H new ATOM 0 HB3 GLU A 118 3.286 -15.359 8.613 1.00 32.75 H new ATOM 0 HG2 GLU A 118 1.355 -17.525 7.743 1.00 36.67 H new ATOM 0 HG3 GLU A 118 1.849 -17.336 9.413 1.00 36.67 H new ATOM 1589 N GLU A 119 5.389 -15.915 5.818 1.00 24.14 N ATOM 1590 CA GLU A 119 6.687 -15.361 5.449 1.00 26.98 C ATOM 1591 C GLU A 119 6.525 -14.370 4.301 1.00 25.13 C ATOM 1592 O GLU A 119 7.066 -13.265 4.342 1.00 27.83 O ATOM 1593 CB GLU A 119 7.653 -16.483 5.049 1.00 28.20 C ATOM 1594 CG GLU A 119 9.080 -16.007 4.822 1.00 27.24 C ATOM 1595 CD GLU A 119 9.626 -15.223 5.999 1.00 28.47 C ATOM 1596 OE1 GLU A 119 9.645 -15.770 7.122 1.00 27.86 O ATOM 1597 OE2 GLU A 119 10.026 -14.058 5.811 1.00 30.36 O ATOM 0 H GLU A 119 5.333 -16.931 5.754 1.00 24.14 H new ATOM 0 HA GLU A 119 7.102 -14.838 6.311 1.00 26.98 H new ATOM 0 HB2 GLU A 119 7.653 -17.246 5.828 1.00 28.20 H new ATOM 0 HB3 GLU A 119 7.288 -16.958 4.138 1.00 28.20 H new ATOM 0 HG2 GLU A 119 9.721 -16.868 4.635 1.00 27.24 H new ATOM 0 HG3 GLU A 119 9.114 -15.384 3.928 1.00 27.24 H new ATOM 1604 N HIS A 120 5.754 -14.763 3.290 1.00 21.73 N ATOM 1605 CA HIS A 120 5.512 -13.900 2.142 1.00 22.27 C ATOM 1606 C HIS A 120 4.797 -12.635 2.592 1.00 22.52 C ATOM 1607 O HIS A 120 5.178 -11.531 2.219 1.00 24.30 O ATOM 1608 CB HIS A 120 4.666 -14.609 1.080 1.00 22.36 C ATOM 1609 CG HIS A 120 5.369 -15.734 0.379 1.00 23.53 C ATOM 1610 ND1 HIS A 120 6.741 -15.845 0.298 1.00 29.14 N ATOM 1611 CD2 HIS A 120 4.871 -16.810 -0.273 1.00 27.13 C ATOM 1612 CE1 HIS A 120 7.052 -16.937 -0.373 1.00 30.02 C ATOM 1613 NE2 HIS A 120 5.937 -17.542 -0.728 1.00 30.38 N ATOM 0 H HIS A 120 5.289 -15.670 3.244 1.00 21.73 H new ATOM 0 HA HIS A 120 6.477 -13.648 1.702 1.00 22.27 H new ATOM 0 HB2 HIS A 120 3.764 -14.998 1.552 1.00 22.36 H new ATOM 0 HB3 HIS A 120 4.348 -13.877 0.338 1.00 22.36 H new ATOM 0 HD2 HIS A 120 3.826 -17.048 -0.410 1.00 27.13 H new ATOM 0 HE1 HIS A 120 8.053 -17.278 -0.594 1.00 30.02 H new ATOM 0 HE2 HIS A 120 5.877 -18.413 -1.255 1.00 30.38 H new ATOM 1622 N CYS A 121 3.772 -12.816 3.419 1.00 21.37 N ATOM 1623 CA CYS A 121 2.991 -11.700 3.937 1.00 22.64 C ATOM 1624 C CYS A 121 3.879 -10.720 4.697 1.00 24.68 C ATOM 1625 O CYS A 121 3.793 -9.511 4.493 1.00 24.70 O ATOM 1626 CB CYS A 121 1.879 -12.213 4.853 1.00 26.11 C ATOM 1627 SG CYS A 121 0.878 -10.913 5.615 1.00 28.52 S ATOM 0 H CYS A 121 3.462 -13.731 3.746 1.00 21.37 H new ATOM 0 HA CYS A 121 2.545 -11.177 3.091 1.00 22.64 H new ATOM 0 HB2 CYS A 121 1.225 -12.868 4.278 1.00 26.11 H new ATOM 0 HB3 CYS A 121 2.325 -12.820 5.641 1.00 26.11 H new ATOM 0 HG CYS A 121 1.522 -9.785 5.567 1.00 28.52 H new ATOM 1633 N ARG A 122 4.735 -11.252 5.564 1.00 25.35 N ATOM 1634 CA ARG A 122 5.637 -10.427 6.357 1.00 25.95 C ATOM 1635 C ARG A 122 6.523 -9.574 5.455 1.00 23.36 C ATOM 1636 O ARG A 122 6.658 -8.372 5.670 1.00 26.33 O ATOM 1637 CB ARG A 122 6.498 -11.298 7.272 1.00 27.25 C ATOM 1638 CG ARG A 122 5.714 -11.956 8.395 1.00 37.10 C ATOM 1639 CD ARG A 122 6.635 -12.618 9.407 1.00 28.22 C ATOM 1640 NE ARG A 122 7.272 -13.826 8.878 1.00 35.74 N ATOM 1641 CZ ARG A 122 6.862 -15.067 9.151 1.00 30.48 C ATOM 1642 NH1 ARG A 122 5.791 -15.270 9.908 1.00 31.71 N ATOM 1643 NH2 ARG A 122 7.525 -16.107 8.663 1.00 40.70 N ATOM 0 H ARG A 122 4.822 -12.254 5.735 1.00 25.35 H new ATOM 0 HA ARG A 122 5.033 -9.763 6.975 1.00 25.95 H new ATOM 0 HB2 ARG A 122 6.981 -12.071 6.675 1.00 27.25 H new ATOM 0 HB3 ARG A 122 7.291 -10.686 7.703 1.00 27.25 H new ATOM 0 HG2 ARG A 122 5.099 -11.209 8.896 1.00 37.10 H new ATOM 0 HG3 ARG A 122 5.035 -12.700 7.978 1.00 37.10 H new ATOM 0 HD2 ARG A 122 7.405 -11.909 9.712 1.00 28.22 H new ATOM 0 HD3 ARG A 122 6.065 -12.873 10.300 1.00 28.22 H new ATOM 0 HE ARG A 122 8.078 -13.712 8.263 1.00 35.74 H new ATOM 0 HH11 ARG A 122 5.275 -14.475 10.285 1.00 31.71 H new ATOM 0 HH12 ARG A 122 5.484 -16.221 10.112 1.00 31.71 H new ATOM 0 HH21 ARG A 122 8.348 -15.959 8.079 1.00 40.70 H new ATOM 0 HH22 ARG A 122 7.212 -17.055 8.872 1.00 40.70 H new ATOM 1657 N LYS A 123 7.104 -10.198 4.432 1.00 22.81 N ATOM 1658 CA LYS A 123 7.969 -9.490 3.493 1.00 24.60 C ATOM 1659 C LYS A 123 7.182 -8.414 2.756 1.00 24.94 C ATOM 1660 O LYS A 123 7.695 -7.328 2.477 1.00 25.77 O ATOM 1661 CB LYS A 123 8.587 -10.466 2.490 1.00 27.36 C ATOM 1662 CG LYS A 123 9.442 -11.542 3.135 1.00 28.78 C ATOM 1663 CD LYS A 123 10.707 -11.795 2.337 1.00 35.71 C ATOM 1664 CE LYS A 123 11.493 -12.976 2.885 1.00 44.84 C ATOM 1665 NZ LYS A 123 11.833 -12.806 4.323 1.00 55.57 N ATOM 0 H LYS A 123 6.991 -11.192 4.233 1.00 22.81 H new ATOM 0 HA LYS A 123 8.772 -9.016 4.058 1.00 24.60 H new ATOM 0 HB2 LYS A 123 7.789 -10.941 1.920 1.00 27.36 H new ATOM 0 HB3 LYS A 123 9.196 -9.907 1.780 1.00 27.36 H new ATOM 0 HG2 LYS A 123 9.704 -11.241 4.150 1.00 28.78 H new ATOM 0 HG3 LYS A 123 8.869 -12.466 3.214 1.00 28.78 H new ATOM 0 HD2 LYS A 123 10.448 -11.983 1.295 1.00 35.71 H new ATOM 0 HD3 LYS A 123 11.332 -10.902 2.354 1.00 35.71 H new ATOM 0 HE2 LYS A 123 10.911 -13.889 2.756 1.00 44.84 H new ATOM 0 HE3 LYS A 123 12.410 -13.099 2.309 1.00 44.84 H new ATOM 0 HZ1 LYS A 123 12.570 -13.490 4.589 1.00 55.57 H new ATOM 0 HZ2 LYS A 123 12.183 -11.840 4.485 1.00 55.57 H new ATOM 0 HZ3 LYS A 123 10.984 -12.969 4.902 1.00 55.57 H new ATOM 1679 N VAL A 124 5.931 -8.728 2.445 1.00 23.64 N ATOM 1680 CA VAL A 124 5.054 -7.794 1.760 1.00 22.10 C ATOM 1681 C VAL A 124 4.784 -6.582 2.648 1.00 22.85 C ATOM 1682 O VAL A 124 4.975 -5.443 2.228 1.00 24.21 O ATOM 1683 CB VAL A 124 3.718 -8.466 1.361 1.00 22.81 C ATOM 1684 CG1 VAL A 124 2.689 -7.438 0.916 1.00 23.59 C ATOM 1685 CG2 VAL A 124 3.944 -9.493 0.262 1.00 24.46 C ATOM 0 H VAL A 124 5.501 -9.628 2.659 1.00 23.64 H new ATOM 0 HA VAL A 124 5.554 -7.469 0.848 1.00 22.10 H new ATOM 0 HB VAL A 124 3.327 -8.973 2.243 1.00 22.81 H new ATOM 0 HG11 VAL A 124 1.763 -7.944 0.643 1.00 23.59 H new ATOM 0 HG12 VAL A 124 2.495 -6.741 1.731 1.00 23.59 H new ATOM 0 HG13 VAL A 124 3.071 -6.891 0.054 1.00 23.59 H new ATOM 0 HG21 VAL A 124 2.994 -9.955 -0.005 1.00 24.46 H new ATOM 0 HG22 VAL A 124 4.368 -9.001 -0.614 1.00 24.46 H new ATOM 0 HG23 VAL A 124 4.633 -10.260 0.617 1.00 24.46 H new ATOM 1695 N ASN A 125 4.378 -6.846 3.889 1.00 23.90 N ATOM 1696 CA ASN A 125 4.079 -5.788 4.853 1.00 25.34 C ATOM 1697 C ASN A 125 5.286 -4.879 5.054 1.00 27.59 C ATOM 1698 O ASN A 125 5.142 -3.658 5.150 1.00 26.42 O ATOM 1699 CB ASN A 125 3.653 -6.389 6.197 1.00 25.30 C ATOM 1700 CG ASN A 125 2.198 -6.821 6.221 1.00 26.31 C ATOM 1701 OD1 ASN A 125 1.863 -7.940 5.829 1.00 30.74 O ATOM 1702 ND2 ASN A 125 1.322 -5.948 6.701 1.00 26.69 N ATOM 0 H ASN A 125 4.248 -7.790 4.252 1.00 23.90 H new ATOM 0 HA ASN A 125 3.257 -5.194 4.453 1.00 25.34 H new ATOM 0 HB2 ASN A 125 4.285 -7.249 6.421 1.00 25.30 H new ATOM 0 HB3 ASN A 125 3.821 -5.656 6.986 1.00 25.30 H new ATOM 0 HD21 ASN A 125 0.334 -6.194 6.755 1.00 26.69 H new ATOM 0 HD22 ASN A 125 1.637 -5.030 7.016 1.00 26.69 H new ATOM 1709 N GLU A 126 6.473 -5.482 5.105 1.00 26.42 N ATOM 1710 CA GLU A 126 7.713 -4.734 5.290 1.00 28.43 C ATOM 1711 C GLU A 126 7.937 -3.752 4.145 1.00 31.22 C ATOM 1712 O GLU A 126 8.243 -2.584 4.374 1.00 33.04 O ATOM 1713 CB GLU A 126 8.908 -5.685 5.394 1.00 30.84 C ATOM 1714 CG GLU A 126 8.925 -6.504 6.672 1.00 32.00 C ATOM 1715 CD GLU A 126 10.124 -7.424 6.758 1.00 38.76 C ATOM 1716 OE1 GLU A 126 10.614 -7.874 5.701 1.00 35.92 O ATOM 1717 OE2 GLU A 126 10.588 -7.700 7.887 1.00 44.64 O ATOM 0 H GLU A 126 6.601 -6.490 5.020 1.00 26.42 H new ATOM 0 HA GLU A 126 7.623 -4.172 6.220 1.00 28.43 H new ATOM 0 HB2 GLU A 126 8.899 -6.361 4.539 1.00 30.84 H new ATOM 0 HB3 GLU A 126 9.829 -5.105 5.332 1.00 30.84 H new ATOM 0 HG2 GLU A 126 8.925 -5.832 7.530 1.00 32.00 H new ATOM 0 HG3 GLU A 126 8.012 -7.097 6.732 1.00 32.00 H new ATOM 1724 N CYS A 127 7.766 -4.228 2.917 1.00 27.47 N ATOM 1725 CA CYS A 127 7.961 -3.393 1.734 1.00 28.50 C ATOM 1726 C CYS A 127 6.867 -2.334 1.613 1.00 30.91 C ATOM 1727 O CYS A 127 7.135 -1.194 1.239 1.00 35.43 O ATOM 1728 CB CYS A 127 7.983 -4.257 0.469 1.00 31.38 C ATOM 1729 SG CYS A 127 9.162 -5.627 0.530 1.00 46.40 S ATOM 0 H CYS A 127 7.492 -5.189 2.713 1.00 27.47 H new ATOM 0 HA CYS A 127 8.920 -2.886 1.843 1.00 28.50 H new ATOM 0 HB2 CYS A 127 6.984 -4.659 0.299 1.00 31.38 H new ATOM 0 HB3 CYS A 127 8.222 -3.624 -0.386 1.00 31.38 H new ATOM 0 HG CYS A 127 8.644 -6.616 1.197 1.00 46.40 H new ATOM 1735 N LEU A 128 5.639 -2.718 1.943 1.00 26.38 N ATOM 1736 CA LEU A 128 4.497 -1.812 1.860 1.00 27.69 C ATOM 1737 C LEU A 128 4.626 -0.650 2.841 1.00 35.20 C ATOM 1738 O LEU A 128 4.181 0.462 2.562 1.00 35.19 O ATOM 1739 CB LEU A 128 3.192 -2.565 2.136 1.00 27.68 C ATOM 1740 CG LEU A 128 2.851 -3.692 1.157 1.00 27.47 C ATOM 1741 CD1 LEU A 128 1.412 -4.149 1.355 1.00 27.78 C ATOM 1742 CD2 LEU A 128 3.081 -3.251 -0.281 1.00 27.78 C ATOM 0 H LEU A 128 5.407 -3.655 2.272 1.00 26.38 H new ATOM 0 HA LEU A 128 4.480 -1.408 0.848 1.00 27.69 H new ATOM 0 HB2 LEU A 128 3.243 -2.985 3.140 1.00 27.68 H new ATOM 0 HB3 LEU A 128 2.373 -1.846 2.132 1.00 27.68 H new ATOM 0 HG LEU A 128 3.513 -4.533 1.361 1.00 27.47 H new ATOM 0 HD11 LEU A 128 1.185 -4.950 0.652 1.00 27.78 H new ATOM 0 HD12 LEU A 128 1.283 -4.513 2.374 1.00 27.78 H new ATOM 0 HD13 LEU A 128 0.737 -3.311 1.181 1.00 27.78 H new ATOM 0 HD21 LEU A 128 2.832 -4.069 -0.957 1.00 27.78 H new ATOM 0 HD22 LEU A 128 2.449 -2.391 -0.503 1.00 27.78 H new ATOM 0 HD23 LEU A 128 4.127 -2.976 -0.414 1.00 27.78 H new ATOM 1754 N ASN A 129 5.240 -0.907 3.986 1.00 31.80 N ATOM 1755 CA ASN A 129 5.396 0.125 5.004 1.00 41.40 C ATOM 1756 C ASN A 129 6.784 0.749 4.973 1.00 46.78 C ATOM 1757 O ASN A 129 7.081 1.654 5.754 1.00 58.88 O ATOM 1758 CB ASN A 129 5.114 -0.451 6.394 1.00 39.28 C ATOM 1759 CG ASN A 129 3.635 -0.712 6.625 1.00 45.62 C ATOM 1760 OD1 ASN A 129 2.912 0.136 7.152 1.00 53.22 O ATOM 1761 ND2 ASN A 129 3.175 -1.892 6.237 1.00 37.18 N ATOM 0 H ASN A 129 5.636 -1.814 4.234 1.00 31.80 H new ATOM 0 HA ASN A 129 4.673 0.910 4.783 1.00 41.40 H new ATOM 0 HB2 ASN A 129 5.668 -1.382 6.518 1.00 39.28 H new ATOM 0 HB3 ASN A 129 5.481 0.241 7.152 1.00 39.28 H new ATOM 0 HD21 ASN A 129 2.191 -2.125 6.371 1.00 37.18 H new ATOM 0 HD22 ASN A 129 3.805 -2.568 5.804 1.00 37.18 H new ATOM 1768 N ASN A 130 7.633 0.273 4.074 1.00 54.30 N ATOM 1769 CA ASN A 130 8.986 0.805 3.957 1.00 56.86 C ATOM 1770 C ASN A 130 9.568 0.524 2.578 1.00 60.77 C ATOM 1771 O ASN A 130 9.967 -0.603 2.274 1.00 59.36 O ATOM 1772 CB ASN A 130 9.897 0.213 5.037 1.00 60.10 C ATOM 1773 CG ASN A 130 11.176 1.007 5.203 1.00 66.88 C ATOM 1774 OD1 ASN A 130 12.167 0.765 4.513 1.00 72.02 O ATOM 1775 ND2 ASN A 130 11.161 1.969 6.114 1.00 69.88 N ATOM 0 H ASN A 130 7.413 -0.476 3.418 1.00 54.30 H new ATOM 0 HA ASN A 130 8.929 1.885 4.096 1.00 56.86 H new ATOM 0 HB2 ASN A 130 9.362 0.186 5.986 1.00 60.10 H new ATOM 0 HB3 ASN A 130 10.142 -0.817 4.779 1.00 60.10 H new ATOM 0 HD21 ASN A 130 11.991 2.542 6.265 1.00 69.88 H new ATOM 0 HD22 ASN A 130 10.319 2.137 6.665 1.00 69.88 H new ATOM 1783 N MET B 1 -16.092 19.481 8.974 1.00 9.67 N ATOM 1784 CA MET B 1 -15.934 18.133 9.565 1.00 10.38 C ATOM 1785 C MET B 1 -14.489 17.917 9.995 1.00 9.62 C ATOM 1786 O MET B 1 -13.593 18.645 9.568 1.00 9.62 O ATOM 1787 CB MET B 1 -16.356 17.049 8.564 1.00 13.77 C ATOM 1788 CG MET B 1 -15.463 16.957 7.339 1.00 16.29 C ATOM 1789 SD MET B 1 -16.103 15.815 6.102 1.00 17.17 S ATOM 1790 CE MET B 1 -14.778 15.848 4.900 1.00 16.11 C ATOM 0 H1 MET B 1 -16.943 19.500 8.376 1.00 9.67 H new ATOM 0 H2 MET B 1 -16.187 20.184 9.734 1.00 9.67 H new ATOM 0 H3 MET B 1 -15.258 19.707 8.396 1.00 9.67 H new ATOM 0 HA MET B 1 -16.579 18.062 10.440 1.00 10.38 H new ATOM 0 HB2 MET B 1 -16.361 16.084 9.070 1.00 13.77 H new ATOM 0 HB3 MET B 1 -17.379 17.245 8.241 1.00 13.77 H new ATOM 0 HG2 MET B 1 -15.358 17.947 6.895 1.00 16.29 H new ATOM 0 HG3 MET B 1 -14.466 16.637 7.643 1.00 16.29 H new ATOM 0 HE1 MET B 1 -15.136 15.446 3.952 1.00 16.11 H new ATOM 0 HE2 MET B 1 -14.444 16.875 4.755 1.00 16.11 H new ATOM 0 HE3 MET B 1 -13.946 15.243 5.259 1.00 16.11 H new ATOM 1802 N GLN B 2 -14.267 16.919 10.836 1.00 9.27 N ATOM 1803 CA GLN B 2 -12.929 16.613 11.318 1.00 9.07 C ATOM 1804 C GLN B 2 -12.395 15.355 10.647 1.00 8.72 C ATOM 1805 O GLN B 2 -13.142 14.401 10.415 1.00 8.22 O ATOM 1806 CB GLN B 2 -12.935 16.419 12.837 1.00 14.46 C ATOM 1807 CG GLN B 2 -13.280 17.674 13.621 1.00 17.01 C ATOM 1808 CD GLN B 2 -12.209 18.742 13.524 1.00 20.10 C ATOM 1809 OE1 GLN B 2 -11.033 18.448 13.312 1.00 21.89 O ATOM 1810 NE2 GLN B 2 -12.607 19.989 13.696 1.00 19.49 N ATOM 0 H GLN B 2 -14.997 16.306 11.199 1.00 9.27 H new ATOM 0 HA GLN B 2 -12.281 17.453 11.069 1.00 9.07 H new ATOM 0 HB2 GLN B 2 -13.651 15.637 13.090 1.00 14.46 H new ATOM 0 HB3 GLN B 2 -11.953 16.066 13.151 1.00 14.46 H new ATOM 0 HG2 GLN B 2 -14.223 18.078 13.254 1.00 17.01 H new ATOM 0 HG3 GLN B 2 -13.431 17.412 14.668 1.00 17.01 H new ATOM 0 HE21 GLN B 2 -13.592 20.191 13.870 1.00 19.49 H new ATOM 0 HE22 GLN B 2 -11.930 20.751 13.655 1.00 19.49 H new ATOM 1819 N ILE B 3 -11.115 15.367 10.313 1.00 5.87 N ATOM 1820 CA ILE B 3 -10.472 14.217 9.693 1.00 5.07 C ATOM 1821 C ILE B 3 -9.264 13.799 10.514 1.00 4.01 C ATOM 1822 O ILE B 3 -8.715 14.602 11.270 1.00 4.61 O ATOM 1823 CB ILE B 3 -10.026 14.492 8.239 1.00 6.55 C ATOM 1824 CG1 ILE B 3 -9.132 15.735 8.172 1.00 4.72 C ATOM 1825 CG2 ILE B 3 -11.241 14.644 7.332 1.00 5.58 C ATOM 1826 CD1 ILE B 3 -8.368 15.867 6.872 1.00 10.83 C ATOM 0 H ILE B 3 -10.497 16.165 10.461 1.00 5.87 H new ATOM 0 HA ILE B 3 -11.213 13.418 9.664 1.00 5.07 H new ATOM 0 HB ILE B 3 -9.442 13.641 7.888 1.00 6.55 H new ATOM 0 HG12 ILE B 3 -9.749 16.623 8.312 1.00 4.72 H new ATOM 0 HG13 ILE B 3 -8.422 15.706 8.999 1.00 4.72 H new ATOM 0 HG21 ILE B 3 -10.911 14.837 6.311 1.00 5.58 H new ATOM 0 HG22 ILE B 3 -11.830 13.727 7.356 1.00 5.58 H new ATOM 0 HG23 ILE B 3 -11.853 15.477 7.679 1.00 5.58 H new ATOM 0 HD11 ILE B 3 -7.758 16.770 6.899 1.00 10.83 H new ATOM 0 HD12 ILE B 3 -7.724 14.998 6.738 1.00 10.83 H new ATOM 0 HD13 ILE B 3 -9.071 15.929 6.041 1.00 10.83 H new ATOM 1838 N PHE B 4 -8.856 12.550 10.373 1.00 4.55 N ATOM 1839 CA PHE B 4 -7.720 12.035 11.121 1.00 4.68 C ATOM 1840 C PHE B 4 -6.555 11.722 10.190 1.00 5.30 C ATOM 1841 O PHE B 4 -6.561 10.708 9.496 1.00 5.58 O ATOM 1842 CB PHE B 4 -8.136 10.781 11.890 1.00 4.83 C ATOM 1843 CG PHE B 4 -9.240 11.034 12.881 1.00 7.97 C ATOM 1844 CD1 PHE B 4 -8.959 11.570 14.126 1.00 6.69 C ATOM 1845 CD2 PHE B 4 -10.557 10.742 12.563 1.00 8.34 C ATOM 1846 CE1 PHE B 4 -9.969 11.814 15.036 1.00 9.10 C ATOM 1847 CE2 PHE B 4 -11.572 10.983 13.469 1.00 10.61 C ATOM 1848 CZ PHE B 4 -11.278 11.519 14.706 1.00 8.90 C ATOM 0 H PHE B 4 -9.293 11.873 9.748 1.00 4.55 H new ATOM 0 HA PHE B 4 -7.392 12.798 11.828 1.00 4.68 H new ATOM 0 HB2 PHE B 4 -8.460 10.019 11.182 1.00 4.83 H new ATOM 0 HB3 PHE B 4 -7.269 10.380 12.416 1.00 4.83 H new ATOM 0 HD1 PHE B 4 -7.937 11.800 14.389 1.00 6.69 H new ATOM 0 HD2 PHE B 4 -10.792 10.321 11.596 1.00 8.34 H new ATOM 0 HE1 PHE B 4 -9.736 12.234 16.003 1.00 9.10 H new ATOM 0 HE2 PHE B 4 -12.595 10.752 13.209 1.00 10.61 H new ATOM 0 HZ PHE B 4 -12.070 11.708 15.415 1.00 8.90 H new ATOM 1858 N VAL B 5 -5.565 12.603 10.169 1.00 4.44 N ATOM 1859 CA VAL B 5 -4.397 12.418 9.319 1.00 3.87 C ATOM 1860 C VAL B 5 -3.260 11.774 10.102 1.00 4.93 C ATOM 1861 O VAL B 5 -2.674 12.397 10.987 1.00 6.84 O ATOM 1862 CB VAL B 5 -3.906 13.760 8.736 1.00 2.99 C ATOM 1863 CG1 VAL B 5 -2.835 13.527 7.682 1.00 5.28 C ATOM 1864 CG2 VAL B 5 -5.062 14.558 8.153 1.00 9.13 C ATOM 0 H VAL B 5 -5.547 13.454 10.731 1.00 4.44 H new ATOM 0 HA VAL B 5 -4.696 11.765 8.499 1.00 3.87 H new ATOM 0 HB VAL B 5 -3.471 14.340 9.550 1.00 2.99 H new ATOM 0 HG11 VAL B 5 -2.502 14.485 7.283 1.00 5.28 H new ATOM 0 HG12 VAL B 5 -1.989 13.007 8.132 1.00 5.28 H new ATOM 0 HG13 VAL B 5 -3.245 12.921 6.874 1.00 5.28 H new ATOM 0 HG21 VAL B 5 -4.688 15.499 7.749 1.00 9.13 H new ATOM 0 HG22 VAL B 5 -5.535 13.984 7.356 1.00 9.13 H new ATOM 0 HG23 VAL B 5 -5.793 14.764 8.935 1.00 9.13 H new ATOM 1874 N LYS B 6 -2.952 10.529 9.783 1.00 6.04 N ATOM 1875 CA LYS B 6 -1.883 9.816 10.466 1.00 6.12 C ATOM 1876 C LYS B 6 -0.558 10.000 9.733 1.00 6.57 C ATOM 1877 O LYS B 6 -0.460 9.755 8.529 1.00 5.76 O ATOM 1878 CB LYS B 6 -2.223 8.330 10.589 1.00 7.45 C ATOM 1879 CG LYS B 6 -2.362 7.854 12.028 1.00 11.12 C ATOM 1880 CD LYS B 6 -2.616 6.358 12.098 1.00 14.54 C ATOM 1881 CE LYS B 6 -2.591 5.852 13.534 1.00 18.84 C ATOM 1882 NZ LYS B 6 -3.707 6.407 14.346 1.00 20.55 N ATOM 0 H LYS B 6 -3.425 9.991 9.057 1.00 6.04 H new ATOM 0 HA LYS B 6 -1.781 10.232 11.468 1.00 6.12 H new ATOM 0 HB2 LYS B 6 -3.155 8.134 10.059 1.00 7.45 H new ATOM 0 HB3 LYS B 6 -1.446 7.746 10.095 1.00 7.45 H new ATOM 0 HG2 LYS B 6 -1.455 8.096 12.582 1.00 11.12 H new ATOM 0 HG3 LYS B 6 -3.182 8.386 12.511 1.00 11.12 H new ATOM 0 HD2 LYS B 6 -3.583 6.131 11.648 1.00 14.54 H new ATOM 0 HD3 LYS B 6 -1.861 5.832 11.513 1.00 14.54 H new ATOM 0 HE2 LYS B 6 -2.650 4.764 13.535 1.00 18.84 H new ATOM 0 HE3 LYS B 6 -1.640 6.120 13.995 1.00 18.84 H new ATOM 0 HZ1 LYS B 6 -3.997 5.709 15.060 1.00 20.55 H new ATOM 0 HZ2 LYS B 6 -3.392 7.277 14.820 1.00 20.55 H new ATOM 0 HZ3 LYS B 6 -4.513 6.623 13.726 1.00 20.55 H new ATOM 1896 N THR B 7 0.449 10.451 10.468 1.00 7.41 N ATOM 1897 CA THR B 7 1.777 10.673 9.912 1.00 7.48 C ATOM 1898 C THR B 7 2.637 9.413 10.039 1.00 8.75 C ATOM 1899 O THR B 7 2.173 8.393 10.550 1.00 8.58 O ATOM 1900 CB THR B 7 2.463 11.847 10.631 1.00 9.61 C ATOM 1901 OG1 THR B 7 1.495 12.565 11.407 1.00 11.78 O ATOM 1902 CG2 THR B 7 3.111 12.794 9.632 1.00 9.17 C ATOM 0 H THR B 7 0.370 10.672 11.461 1.00 7.41 H new ATOM 0 HA THR B 7 1.668 10.914 8.855 1.00 7.48 H new ATOM 0 HB THR B 7 3.240 11.445 11.282 1.00 9.61 H new ATOM 0 HG1 THR B 7 1.933 13.312 11.866 1.00 11.78 H new ATOM 0 HG21 THR B 7 3.589 13.615 10.166 1.00 9.17 H new ATOM 0 HG22 THR B 7 3.859 12.254 9.052 1.00 9.17 H new ATOM 0 HG23 THR B 7 2.350 13.192 8.961 1.00 9.17 H new ATOM 1910 N LEU B 8 3.893 9.494 9.593 1.00 9.84 N ATOM 1911 CA LEU B 8 4.814 8.356 9.648 1.00 14.15 C ATOM 1912 C LEU B 8 5.094 7.927 11.085 1.00 17.37 C ATOM 1913 O LEU B 8 5.397 6.762 11.347 1.00 17.01 O ATOM 1914 CB LEU B 8 6.138 8.702 8.965 1.00 16.63 C ATOM 1915 CG LEU B 8 6.118 8.685 7.436 1.00 18.88 C ATOM 1916 CD1 LEU B 8 7.347 9.395 6.888 1.00 19.31 C ATOM 1917 CD2 LEU B 8 6.056 7.254 6.923 1.00 18.59 C ATOM 0 H LEU B 8 4.297 10.339 9.188 1.00 9.84 H new ATOM 0 HA LEU B 8 4.333 7.530 9.124 1.00 14.15 H new ATOM 0 HB2 LEU B 8 6.448 9.693 9.295 1.00 16.63 H new ATOM 0 HB3 LEU B 8 6.898 8.000 9.308 1.00 16.63 H new ATOM 0 HG LEU B 8 5.229 9.213 7.091 1.00 18.88 H new ATOM 0 HD11 LEU B 8 7.322 9.377 5.798 1.00 19.31 H new ATOM 0 HD12 LEU B 8 7.354 10.429 7.234 1.00 19.31 H new ATOM 0 HD13 LEU B 8 8.246 8.889 7.239 1.00 19.31 H new ATOM 0 HD21 LEU B 8 6.042 7.258 5.833 1.00 18.59 H new ATOM 0 HD22 LEU B 8 6.930 6.704 7.273 1.00 18.59 H new ATOM 0 HD23 LEU B 8 5.151 6.773 7.295 1.00 18.59 H new ATOM 1929 N THR B 9 5.009 8.870 12.011 1.00 18.33 N ATOM 1930 CA THR B 9 5.251 8.584 13.418 1.00 19.24 C ATOM 1931 C THR B 9 4.033 7.941 14.068 1.00 19.48 C ATOM 1932 O THR B 9 4.079 7.532 15.230 1.00 23.14 O ATOM 1933 CB THR B 9 5.617 9.867 14.180 1.00 18.97 C ATOM 1934 OG1 THR B 9 4.802 10.953 13.713 1.00 20.24 O ATOM 1935 CG2 THR B 9 7.087 10.203 13.987 1.00 19.70 C ATOM 0 H THR B 9 4.774 9.843 11.813 1.00 18.33 H new ATOM 0 HA THR B 9 6.086 7.885 13.468 1.00 19.24 H new ATOM 0 HB THR B 9 5.436 9.707 15.243 1.00 18.97 H new ATOM 0 HG1 THR B 9 5.035 11.770 14.201 1.00 20.24 H new ATOM 0 HG21 THR B 9 7.327 11.115 14.534 1.00 19.70 H new ATOM 0 HG22 THR B 9 7.700 9.383 14.362 1.00 19.70 H new ATOM 0 HG23 THR B 9 7.290 10.352 12.927 1.00 19.70 H new ATOM 1943 N GLY B 10 2.947 7.848 13.310 1.00 19.43 N ATOM 1944 CA GLY B 10 1.725 7.267 13.825 1.00 18.74 C ATOM 1945 C GLY B 10 0.844 8.315 14.472 1.00 17.62 C ATOM 1946 O GLY B 10 -0.212 7.999 15.023 1.00 19.74 O ATOM 0 H GLY B 10 2.893 8.167 12.343 1.00 19.43 H new ATOM 0 HA2 GLY B 10 1.181 6.783 13.014 1.00 18.74 H new ATOM 0 HA3 GLY B 10 1.967 6.493 14.553 1.00 18.74 H new ATOM 1950 N LYS B 11 1.289 9.564 14.403 1.00 13.56 N ATOM 1951 CA LYS B 11 0.556 10.684 14.978 1.00 11.91 C ATOM 1952 C LYS B 11 -0.737 10.925 14.215 1.00 10.18 C ATOM 1953 O LYS B 11 -0.728 11.080 12.994 1.00 9.10 O ATOM 1954 CB LYS B 11 1.413 11.952 14.949 1.00 13.43 C ATOM 1955 CG LYS B 11 0.731 13.160 15.574 1.00 16.69 C ATOM 1956 CD LYS B 11 1.549 14.427 15.377 1.00 17.92 C ATOM 1957 CE LYS B 11 0.947 15.600 16.135 1.00 20.81 C ATOM 1958 NZ LYS B 11 1.825 16.797 16.097 1.00 21.93 N ATOM 0 H LYS B 11 2.164 9.828 13.949 1.00 13.56 H new ATOM 0 HA LYS B 11 0.316 10.438 16.012 1.00 11.91 H new ATOM 0 HB2 LYS B 11 2.349 11.761 15.474 1.00 13.43 H new ATOM 0 HB3 LYS B 11 1.670 12.184 13.915 1.00 13.43 H new ATOM 0 HG2 LYS B 11 -0.256 13.291 15.131 1.00 16.69 H new ATOM 0 HG3 LYS B 11 0.582 12.984 16.639 1.00 16.69 H new ATOM 0 HD2 LYS B 11 2.571 14.258 15.717 1.00 17.92 H new ATOM 0 HD3 LYS B 11 1.601 14.667 14.315 1.00 17.92 H new ATOM 0 HE2 LYS B 11 -0.024 15.849 15.706 1.00 20.81 H new ATOM 0 HE3 LYS B 11 0.773 15.311 17.171 1.00 20.81 H new ATOM 0 HZ1 LYS B 11 1.402 17.556 16.668 1.00 21.93 H new ATOM 0 HZ2 LYS B 11 2.760 16.554 16.483 1.00 21.93 H new ATOM 0 HZ3 LYS B 11 1.929 17.120 15.114 1.00 21.93 H new ATOM 1972 N THR B 12 -1.844 10.950 14.935 1.00 9.63 N ATOM 1973 CA THR B 12 -3.138 11.178 14.326 1.00 9.85 C ATOM 1974 C THR B 12 -3.532 12.645 14.463 1.00 11.66 C ATOM 1975 O THR B 12 -4.044 13.072 15.499 1.00 12.33 O ATOM 1976 CB THR B 12 -4.205 10.280 14.967 1.00 10.85 C ATOM 1977 OG1 THR B 12 -3.643 8.989 15.246 1.00 10.91 O ATOM 1978 CG2 THR B 12 -5.405 10.128 14.049 1.00 9.63 C ATOM 0 H THR B 12 -1.871 10.814 15.946 1.00 9.63 H new ATOM 0 HA THR B 12 -3.070 10.928 13.267 1.00 9.85 H new ATOM 0 HB THR B 12 -4.537 10.745 15.895 1.00 10.85 H new ATOM 0 HG1 THR B 12 -4.197 8.528 15.910 1.00 10.91 H new ATOM 0 HG21 THR B 12 -6.148 9.488 14.524 1.00 9.63 H new ATOM 0 HG22 THR B 12 -5.841 11.108 13.855 1.00 9.63 H new ATOM 0 HG23 THR B 12 -5.088 9.679 13.107 1.00 9.63 H new ATOM 1986 N ILE B 13 -3.266 13.408 13.417 1.00 10.42 N ATOM 1987 CA ILE B 13 -3.563 14.831 13.401 1.00 11.84 C ATOM 1988 C ILE B 13 -5.010 15.087 12.994 1.00 10.55 C ATOM 1989 O ILE B 13 -5.412 14.778 11.871 1.00 11.92 O ATOM 1990 CB ILE B 13 -2.629 15.578 12.422 1.00 14.86 C ATOM 1991 CG1 ILE B 13 -1.163 15.325 12.783 1.00 14.87 C ATOM 1992 CG2 ILE B 13 -2.931 17.069 12.423 1.00 17.08 C ATOM 1993 CD1 ILE B 13 -0.193 15.756 11.702 1.00 16.46 C ATOM 0 H ILE B 13 -2.840 13.061 12.558 1.00 10.42 H new ATOM 0 HA ILE B 13 -3.403 15.204 14.413 1.00 11.84 H new ATOM 0 HB ILE B 13 -2.808 15.195 11.417 1.00 14.86 H new ATOM 0 HG12 ILE B 13 -0.927 15.856 13.705 1.00 14.87 H new ATOM 0 HG13 ILE B 13 -1.024 14.262 12.983 1.00 14.87 H new ATOM 0 HG21 ILE B 13 -2.262 17.576 11.727 1.00 17.08 H new ATOM 0 HG22 ILE B 13 -3.964 17.231 12.117 1.00 17.08 H new ATOM 0 HG23 ILE B 13 -2.783 17.470 13.426 1.00 17.08 H new ATOM 0 HD11 ILE B 13 0.827 15.548 12.024 1.00 16.46 H new ATOM 0 HD12 ILE B 13 -0.403 15.206 10.784 1.00 16.46 H new ATOM 0 HD13 ILE B 13 -0.304 16.825 11.518 1.00 16.46 H new ATOM 2005 N THR B 14 -5.790 15.632 13.910 1.00 9.39 N ATOM 2006 CA THR B 14 -7.174 15.950 13.627 1.00 9.63 C ATOM 2007 C THR B 14 -7.236 17.301 12.919 1.00 11.20 C ATOM 2008 O THR B 14 -6.795 18.316 13.466 1.00 11.63 O ATOM 2009 CB THR B 14 -8.014 15.987 14.916 1.00 10.38 C ATOM 2010 OG1 THR B 14 -7.508 15.020 15.849 1.00 16.30 O ATOM 2011 CG2 THR B 14 -9.478 15.692 14.621 1.00 11.66 C ATOM 0 H THR B 14 -5.487 15.863 14.856 1.00 9.39 H new ATOM 0 HA THR B 14 -7.590 15.173 12.986 1.00 9.63 H new ATOM 0 HB THR B 14 -7.943 16.987 15.344 1.00 10.38 H new ATOM 0 HG1 THR B 14 -8.043 15.046 16.670 1.00 16.30 H new ATOM 0 HG21 THR B 14 -10.050 15.724 15.548 1.00 11.66 H new ATOM 0 HG22 THR B 14 -9.867 16.438 13.929 1.00 11.66 H new ATOM 0 HG23 THR B 14 -9.567 14.702 14.174 1.00 11.66 H new ATOM 2019 N LEU B 15 -7.749 17.312 11.701 1.00 8.29 N ATOM 2020 CA LEU B 15 -7.819 18.541 10.929 1.00 9.03 C ATOM 2021 C LEU B 15 -9.257 18.906 10.583 1.00 8.59 C ATOM 2022 O LEU B 15 -10.075 18.038 10.277 1.00 7.79 O ATOM 2023 CB LEU B 15 -7.000 18.403 9.646 1.00 11.08 C ATOM 2024 CG LEU B 15 -6.258 19.666 9.211 1.00 15.79 C ATOM 2025 CD1 LEU B 15 -5.059 19.922 10.110 1.00 15.88 C ATOM 2026 CD2 LEU B 15 -5.824 19.550 7.760 1.00 15.27 C ATOM 0 H LEU B 15 -8.121 16.489 11.227 1.00 8.29 H new ATOM 0 HA LEU B 15 -7.406 19.341 11.544 1.00 9.03 H new ATOM 0 HB2 LEU B 15 -6.273 17.602 9.782 1.00 11.08 H new ATOM 0 HB3 LEU B 15 -7.666 18.096 8.840 1.00 11.08 H new ATOM 0 HG LEU B 15 -6.937 20.513 9.302 1.00 15.79 H new ATOM 0 HD11 LEU B 15 -4.545 20.826 9.783 1.00 15.88 H new ATOM 0 HD12 LEU B 15 -5.396 20.049 11.139 1.00 15.88 H new ATOM 0 HD13 LEU B 15 -4.375 19.075 10.054 1.00 15.88 H new ATOM 0 HD21 LEU B 15 -5.297 20.457 7.464 1.00 15.27 H new ATOM 0 HD22 LEU B 15 -5.162 18.692 7.646 1.00 15.27 H new ATOM 0 HD23 LEU B 15 -6.702 19.418 7.127 1.00 15.27 H new ATOM 2038 N GLU B 16 -9.550 20.198 10.633 1.00 11.04 N ATOM 2039 CA GLU B 16 -10.875 20.707 10.319 1.00 11.50 C ATOM 2040 C GLU B 16 -10.954 21.065 8.840 1.00 10.13 C ATOM 2041 O GLU B 16 -10.293 21.999 8.377 1.00 9.83 O ATOM 2042 CB GLU B 16 -11.174 21.931 11.178 1.00 17.22 C ATOM 2043 CG GLU B 16 -12.586 22.467 11.032 1.00 23.33 C ATOM 2044 CD GLU B 16 -12.810 23.701 11.874 1.00 26.99 C ATOM 2045 OE1 GLU B 16 -12.103 24.707 11.659 1.00 28.86 O ATOM 2046 OE2 GLU B 16 -13.687 23.672 12.760 1.00 28.90 O ATOM 0 H GLU B 16 -8.877 20.920 10.892 1.00 11.04 H new ATOM 0 HA GLU B 16 -11.617 19.938 10.533 1.00 11.50 H new ATOM 0 HB2 GLU B 16 -11.001 21.677 12.224 1.00 17.22 H new ATOM 0 HB3 GLU B 16 -10.469 22.722 10.921 1.00 17.22 H new ATOM 0 HG2 GLU B 16 -12.779 22.702 9.985 1.00 23.33 H new ATOM 0 HG3 GLU B 16 -13.299 21.695 11.322 1.00 23.33 H new ATOM 2053 N VAL B 17 -11.745 20.309 8.098 1.00 8.99 N ATOM 2054 CA VAL B 17 -11.893 20.534 6.668 1.00 8.85 C ATOM 2055 C VAL B 17 -13.331 20.316 6.219 1.00 8.04 C ATOM 2056 O VAL B 17 -14.174 19.854 6.989 1.00 8.99 O ATOM 2057 CB VAL B 17 -10.979 19.594 5.854 1.00 9.78 C ATOM 2058 CG1 VAL B 17 -9.520 20.013 5.960 1.00 12.05 C ATOM 2059 CG2 VAL B 17 -11.156 18.157 6.317 1.00 10.54 C ATOM 0 H VAL B 17 -12.296 19.532 8.462 1.00 8.99 H new ATOM 0 HA VAL B 17 -11.607 21.570 6.485 1.00 8.85 H new ATOM 0 HB VAL B 17 -11.270 19.665 4.806 1.00 9.78 H new ATOM 0 HG11 VAL B 17 -8.902 19.331 5.376 1.00 12.05 H new ATOM 0 HG12 VAL B 17 -9.404 21.027 5.577 1.00 12.05 H new ATOM 0 HG13 VAL B 17 -9.207 19.982 7.004 1.00 12.05 H new ATOM 0 HG21 VAL B 17 -10.506 17.504 5.735 1.00 10.54 H new ATOM 0 HG22 VAL B 17 -10.896 18.080 7.373 1.00 10.54 H new ATOM 0 HG23 VAL B 17 -12.194 17.855 6.176 1.00 10.54 H new ATOM 2069 N GLU B 18 -13.590 20.651 4.968 1.00 7.29 N ATOM 2070 CA GLU B 18 -14.903 20.485 4.369 1.00 7.08 C ATOM 2071 C GLU B 18 -14.750 19.662 3.098 1.00 6.45 C ATOM 2072 O GLU B 18 -13.682 19.672 2.498 1.00 5.28 O ATOM 2073 CB GLU B 18 -15.521 21.848 4.039 1.00 10.28 C ATOM 2074 CG GLU B 18 -15.737 22.738 5.249 1.00 12.65 C ATOM 2075 CD GLU B 18 -16.786 22.197 6.192 1.00 14.15 C ATOM 2076 OE1 GLU B 18 -17.960 22.076 5.776 1.00 14.33 O ATOM 2077 OE2 GLU B 18 -16.450 21.900 7.356 1.00 18.17 O ATOM 0 H GLU B 18 -12.894 21.047 4.336 1.00 7.29 H new ATOM 0 HA GLU B 18 -15.564 19.976 5.071 1.00 7.08 H new ATOM 0 HB2 GLU B 18 -14.875 22.366 3.331 1.00 10.28 H new ATOM 0 HB3 GLU B 18 -16.478 21.690 3.541 1.00 10.28 H new ATOM 0 HG2 GLU B 18 -14.795 22.849 5.786 1.00 12.65 H new ATOM 0 HG3 GLU B 18 -16.033 23.732 4.915 1.00 12.65 H new ATOM 2084 N PRO B 19 -15.793 18.940 2.664 1.00 7.24 N ATOM 2085 CA PRO B 19 -15.725 18.122 1.445 1.00 7.07 C ATOM 2086 C PRO B 19 -15.287 18.932 0.222 1.00 6.65 C ATOM 2087 O PRO B 19 -14.577 18.431 -0.649 1.00 6.37 O ATOM 2088 CB PRO B 19 -17.162 17.622 1.273 1.00 7.61 C ATOM 2089 CG PRO B 19 -17.743 17.661 2.645 1.00 8.16 C ATOM 2090 CD PRO B 19 -17.111 18.843 3.323 1.00 7.49 C ATOM 0 HA PRO B 19 -14.989 17.322 1.531 1.00 7.07 H new ATOM 0 HB2 PRO B 19 -17.723 18.257 0.587 1.00 7.61 H new ATOM 0 HB3 PRO B 19 -17.184 16.613 0.862 1.00 7.61 H new ATOM 0 HG2 PRO B 19 -18.827 17.765 2.608 1.00 8.16 H new ATOM 0 HG3 PRO B 19 -17.530 16.739 3.186 1.00 8.16 H new ATOM 0 HD2 PRO B 19 -17.699 19.750 3.184 1.00 7.49 H new ATOM 0 HD3 PRO B 19 -17.014 18.688 4.398 1.00 7.49 H new ATOM 2098 N SER B 20 -15.687 20.198 0.191 1.00 6.80 N ATOM 2099 CA SER B 20 -15.362 21.091 -0.915 1.00 6.28 C ATOM 2100 C SER B 20 -13.957 21.684 -0.791 1.00 8.45 C ATOM 2101 O SER B 20 -13.535 22.470 -1.640 1.00 7.26 O ATOM 2102 CB SER B 20 -16.392 22.217 -0.971 1.00 8.57 C ATOM 2103 OG SER B 20 -17.681 21.735 -0.625 1.00 11.13 O ATOM 0 H SER B 20 -16.243 20.633 0.928 1.00 6.80 H new ATOM 0 HA SER B 20 -15.386 20.505 -1.834 1.00 6.28 H new ATOM 0 HB2 SER B 20 -16.102 23.016 -0.289 1.00 8.57 H new ATOM 0 HB3 SER B 20 -16.415 22.646 -1.973 1.00 8.57 H new ATOM 0 HG SER B 20 -18.327 22.471 -0.665 1.00 11.13 H new ATOM 2109 N ASP B 21 -13.233 21.314 0.256 1.00 7.50 N ATOM 2110 CA ASP B 21 -11.884 21.829 0.459 1.00 7.70 C ATOM 2111 C ASP B 21 -10.908 21.090 -0.444 1.00 7.08 C ATOM 2112 O ASP B 21 -10.993 19.867 -0.594 1.00 8.11 O ATOM 2113 CB ASP B 21 -11.458 21.688 1.924 1.00 11.00 C ATOM 2114 CG ASP B 21 -10.416 22.713 2.335 1.00 15.32 C ATOM 2115 OD1 ASP B 21 -10.146 23.647 1.546 1.00 18.03 O ATOM 2116 OD2 ASP B 21 -9.885 22.607 3.461 1.00 14.36 O ATOM 0 H ASP B 21 -13.553 20.664 0.974 1.00 7.50 H new ATOM 0 HA ASP B 21 -11.878 22.889 0.205 1.00 7.70 H new ATOM 0 HB2 ASP B 21 -12.334 21.791 2.564 1.00 11.00 H new ATOM 0 HB3 ASP B 21 -11.060 20.686 2.087 1.00 11.00 H new ATOM 2121 N THR B 22 -10.002 21.831 -1.058 1.00 5.37 N ATOM 2122 CA THR B 22 -9.019 21.244 -1.946 1.00 6.01 C ATOM 2123 C THR B 22 -7.862 20.646 -1.155 1.00 8.01 C ATOM 2124 O THR B 22 -7.498 21.153 -0.090 1.00 8.11 O ATOM 2125 CB THR B 22 -8.483 22.285 -2.945 1.00 8.92 C ATOM 2126 OG1 THR B 22 -8.596 23.604 -2.388 1.00 10.22 O ATOM 2127 CG2 THR B 22 -9.248 22.213 -4.258 1.00 9.65 C ATOM 0 H THR B 22 -9.928 22.843 -0.956 1.00 5.37 H new ATOM 0 HA THR B 22 -9.514 20.449 -2.503 1.00 6.01 H new ATOM 0 HB THR B 22 -7.434 22.065 -3.141 1.00 8.92 H new ATOM 0 HG1 THR B 22 -8.251 24.260 -3.029 1.00 10.22 H new ATOM 0 HG21 THR B 22 -8.854 22.957 -4.950 1.00 9.65 H new ATOM 0 HG22 THR B 22 -9.135 21.219 -4.691 1.00 9.65 H new ATOM 0 HG23 THR B 22 -10.304 22.411 -4.075 1.00 9.65 H new ATOM 2135 N ILE B 23 -7.287 19.572 -1.685 1.00 8.32 N ATOM 2136 CA ILE B 23 -6.174 18.883 -1.037 1.00 9.92 C ATOM 2137 C ILE B 23 -5.011 19.837 -0.766 1.00 10.01 C ATOM 2138 O ILE B 23 -4.367 19.755 0.279 1.00 8.71 O ATOM 2139 CB ILE B 23 -5.675 17.694 -1.888 1.00 10.78 C ATOM 2140 CG1 ILE B 23 -6.817 16.706 -2.160 1.00 11.38 C ATOM 2141 CG2 ILE B 23 -4.513 16.986 -1.203 1.00 10.90 C ATOM 2142 CD1 ILE B 23 -7.449 16.134 -0.908 1.00 12.30 C ATOM 0 H ILE B 23 -7.576 19.156 -2.570 1.00 8.32 H new ATOM 0 HA ILE B 23 -6.548 18.503 -0.086 1.00 9.92 H new ATOM 0 HB ILE B 23 -5.322 18.087 -2.842 1.00 10.78 H new ATOM 0 HG12 ILE B 23 -7.587 17.209 -2.746 1.00 11.38 H new ATOM 0 HG13 ILE B 23 -6.437 15.886 -2.770 1.00 11.38 H new ATOM 0 HG21 ILE B 23 -4.179 16.153 -1.821 1.00 10.90 H new ATOM 0 HG22 ILE B 23 -3.690 17.687 -1.064 1.00 10.90 H new ATOM 0 HG23 ILE B 23 -4.837 16.611 -0.232 1.00 10.90 H new ATOM 0 HD11 ILE B 23 -8.247 15.445 -1.185 1.00 12.30 H new ATOM 0 HD12 ILE B 23 -6.694 15.601 -0.330 1.00 12.30 H new ATOM 0 HD13 ILE B 23 -7.862 16.944 -0.306 1.00 12.30 H new ATOM 2154 N GLU B 24 -4.764 20.755 -1.699 1.00 9.54 N ATOM 2155 CA GLU B 24 -3.678 21.721 -1.553 1.00 11.81 C ATOM 2156 C GLU B 24 -3.872 22.583 -0.308 1.00 11.14 C ATOM 2157 O GLU B 24 -2.901 22.968 0.348 1.00 10.62 O ATOM 2158 CB GLU B 24 -3.580 22.617 -2.785 1.00 19.24 C ATOM 2159 CG GLU B 24 -2.177 23.139 -3.035 1.00 27.76 C ATOM 2160 CD GLU B 24 -2.165 24.562 -3.544 1.00 32.92 C ATOM 2161 OE1 GLU B 24 -2.882 24.849 -4.525 1.00 34.80 O ATOM 2162 OE2 GLU B 24 -1.438 25.397 -2.968 1.00 36.51 O ATOM 0 H GLU B 24 -5.300 20.850 -2.562 1.00 9.54 H new ATOM 0 HA GLU B 24 -2.751 21.157 -1.448 1.00 11.81 H new ATOM 0 HB2 GLU B 24 -3.914 22.059 -3.660 1.00 19.24 H new ATOM 0 HB3 GLU B 24 -4.259 23.461 -2.667 1.00 19.24 H new ATOM 0 HG2 GLU B 24 -1.603 23.084 -2.110 1.00 27.76 H new ATOM 0 HG3 GLU B 24 -1.678 22.495 -3.759 1.00 27.76 H new ATOM 2169 N ASN B 25 -5.125 22.877 0.020 1.00 9.43 N ATOM 2170 CA ASN B 25 -5.435 23.688 1.191 1.00 10.96 C ATOM 2171 C ASN B 25 -5.191 22.879 2.456 1.00 9.68 C ATOM 2172 O ASN B 25 -4.777 23.413 3.483 1.00 9.33 O ATOM 2173 CB ASN B 25 -6.882 24.178 1.147 1.00 16.78 C ATOM 2174 CG ASN B 25 -7.141 25.311 2.121 1.00 22.31 C ATOM 2175 OD1 ASN B 25 -6.271 26.148 2.367 1.00 25.66 O ATOM 2176 ND2 ASN B 25 -8.335 25.346 2.688 1.00 24.70 N ATOM 0 H ASN B 25 -5.941 22.567 -0.507 1.00 9.43 H new ATOM 0 HA ASN B 25 -4.782 24.561 1.192 1.00 10.96 H new ATOM 0 HB2 ASN B 25 -7.119 24.511 0.136 1.00 16.78 H new ATOM 0 HB3 ASN B 25 -7.551 23.348 1.374 1.00 16.78 H new ATOM 0 HD21 ASN B 25 -8.562 26.084 3.355 1.00 24.70 H new ATOM 0 HD22 ASN B 25 -9.029 24.635 2.459 1.00 24.70 H new ATOM 2183 N VAL B 26 -5.449 21.579 2.363 1.00 6.52 N ATOM 2184 CA VAL B 26 -5.237 20.671 3.480 1.00 5.53 C ATOM 2185 C VAL B 26 -3.756 20.658 3.844 1.00 4.42 C ATOM 2186 O VAL B 26 -3.391 20.710 5.017 1.00 3.40 O ATOM 2187 CB VAL B 26 -5.705 19.238 3.138 1.00 3.86 C ATOM 2188 CG1 VAL B 26 -5.504 18.300 4.317 1.00 7.25 C ATOM 2189 CG2 VAL B 26 -7.163 19.242 2.703 1.00 8.12 C ATOM 0 H VAL B 26 -5.807 21.130 1.520 1.00 6.52 H new ATOM 0 HA VAL B 26 -5.827 21.023 4.327 1.00 5.53 H new ATOM 0 HB VAL B 26 -5.096 18.874 2.310 1.00 3.86 H new ATOM 0 HG11 VAL B 26 -5.842 17.299 4.048 1.00 7.25 H new ATOM 0 HG12 VAL B 26 -4.447 18.267 4.580 1.00 7.25 H new ATOM 0 HG13 VAL B 26 -6.079 18.660 5.170 1.00 7.25 H new ATOM 0 HG21 VAL B 26 -7.475 18.225 2.466 1.00 8.12 H new ATOM 0 HG22 VAL B 26 -7.782 19.633 3.510 1.00 8.12 H new ATOM 0 HG23 VAL B 26 -7.278 19.871 1.820 1.00 8.12 H new ATOM 2199 N LYS B 27 -2.914 20.627 2.815 1.00 2.64 N ATOM 2200 CA LYS B 27 -1.467 20.631 2.997 1.00 4.14 C ATOM 2201 C LYS B 27 -1.031 21.920 3.699 1.00 5.58 C ATOM 2202 O LYS B 27 -0.148 21.911 4.563 1.00 4.11 O ATOM 2203 CB LYS B 27 -0.762 20.522 1.642 1.00 3.97 C ATOM 2204 CG LYS B 27 -1.322 19.433 0.738 1.00 7.45 C ATOM 2205 CD LYS B 27 -0.514 18.150 0.828 1.00 9.02 C ATOM 2206 CE LYS B 27 0.686 18.180 -0.104 1.00 12.90 C ATOM 2207 NZ LYS B 27 0.293 18.006 -1.525 1.00 15.47 N ATOM 0 H LYS B 27 -3.212 20.599 1.840 1.00 2.64 H new ATOM 0 HA LYS B 27 -1.191 19.774 3.612 1.00 4.14 H new ATOM 0 HB2 LYS B 27 -0.836 21.480 1.128 1.00 3.97 H new ATOM 0 HB3 LYS B 27 0.298 20.331 1.810 1.00 3.97 H new ATOM 0 HG2 LYS B 27 -2.357 19.230 1.013 1.00 7.45 H new ATOM 0 HG3 LYS B 27 -1.329 19.786 -0.293 1.00 7.45 H new ATOM 0 HD2 LYS B 27 -0.176 18.003 1.854 1.00 9.02 H new ATOM 0 HD3 LYS B 27 -1.149 17.301 0.577 1.00 9.02 H new ATOM 0 HE2 LYS B 27 1.212 19.128 0.013 1.00 12.90 H new ATOM 0 HE3 LYS B 27 1.384 17.391 0.178 1.00 12.90 H new ATOM 0 HZ1 LYS B 27 1.141 17.829 -2.101 1.00 15.47 H new ATOM 0 HZ2 LYS B 27 -0.357 17.198 -1.609 1.00 15.47 H new ATOM 0 HZ3 LYS B 27 -0.181 18.868 -1.862 1.00 15.47 H new ATOM 2221 N ALA B 28 -1.672 23.027 3.324 1.00 6.61 N ATOM 2222 CA ALA B 28 -1.373 24.330 3.907 1.00 7.74 C ATOM 2223 C ALA B 28 -1.770 24.362 5.380 1.00 9.17 C ATOM 2224 O ALA B 28 -1.068 24.938 6.213 1.00 11.45 O ATOM 2225 CB ALA B 28 -2.091 25.433 3.138 1.00 7.68 C ATOM 0 H ALA B 28 -2.405 23.044 2.615 1.00 6.61 H new ATOM 0 HA ALA B 28 -0.299 24.501 3.837 1.00 7.74 H new ATOM 0 HB1 ALA B 28 -1.858 26.399 3.585 1.00 7.68 H new ATOM 0 HB2 ALA B 28 -1.762 25.425 2.099 1.00 7.68 H new ATOM 0 HB3 ALA B 28 -3.167 25.264 3.179 1.00 7.68 H new ATOM 2231 N LYS B 29 -2.906 23.743 5.690 1.00 8.96 N ATOM 2232 CA LYS B 29 -3.397 23.678 7.060 1.00 7.90 C ATOM 2233 C LYS B 29 -2.438 22.865 7.924 1.00 6.92 C ATOM 2234 O LYS B 29 -2.150 23.228 9.067 1.00 6.87 O ATOM 2235 CB LYS B 29 -4.796 23.059 7.099 1.00 10.28 C ATOM 2236 CG LYS B 29 -5.888 23.984 6.590 1.00 14.94 C ATOM 2237 CD LYS B 29 -7.217 23.260 6.471 1.00 19.69 C ATOM 2238 CE LYS B 29 -8.340 24.220 6.116 1.00 22.63 C ATOM 2239 NZ LYS B 29 -9.637 23.519 5.923 1.00 24.98 N ATOM 0 H LYS B 29 -3.504 23.278 5.007 1.00 8.96 H new ATOM 0 HA LYS B 29 -3.455 24.692 7.456 1.00 7.90 H new ATOM 0 HB2 LYS B 29 -4.797 22.147 6.502 1.00 10.28 H new ATOM 0 HB3 LYS B 29 -5.027 22.769 8.124 1.00 10.28 H new ATOM 0 HG2 LYS B 29 -5.993 24.832 7.267 1.00 14.94 H new ATOM 0 HG3 LYS B 29 -5.603 24.386 5.618 1.00 14.94 H new ATOM 0 HD2 LYS B 29 -7.144 22.485 5.708 1.00 19.69 H new ATOM 0 HD3 LYS B 29 -7.447 22.761 7.412 1.00 19.69 H new ATOM 0 HE2 LYS B 29 -8.444 24.963 6.907 1.00 22.63 H new ATOM 0 HE3 LYS B 29 -8.081 24.759 5.205 1.00 22.63 H new ATOM 0 HZ1 LYS B 29 -10.414 24.208 5.969 1.00 24.98 H new ATOM 0 HZ2 LYS B 29 -9.644 23.051 4.994 1.00 24.98 H new ATOM 0 HZ3 LYS B 29 -9.761 22.806 6.670 1.00 24.98 H new ATOM 2253 N ILE B 30 -1.933 21.771 7.365 1.00 4.57 N ATOM 2254 CA ILE B 30 -0.994 20.916 8.075 1.00 5.58 C ATOM 2255 C ILE B 30 0.316 21.664 8.307 1.00 7.26 C ATOM 2256 O ILE B 30 0.970 21.496 9.336 1.00 9.46 O ATOM 2257 CB ILE B 30 -0.722 19.606 7.301 1.00 5.36 C ATOM 2258 CG1 ILE B 30 -2.021 18.809 7.136 1.00 2.94 C ATOM 2259 CG2 ILE B 30 0.329 18.766 8.016 1.00 2.78 C ATOM 2260 CD1 ILE B 30 -1.884 17.598 6.239 1.00 2.00 C ATOM 0 H ILE B 30 -2.159 21.457 6.421 1.00 4.57 H new ATOM 0 HA ILE B 30 -1.440 20.652 9.034 1.00 5.58 H new ATOM 0 HB ILE B 30 -0.340 19.862 6.313 1.00 5.36 H new ATOM 0 HG12 ILE B 30 -2.365 18.485 8.118 1.00 2.94 H new ATOM 0 HG13 ILE B 30 -2.790 19.466 6.730 1.00 2.94 H new ATOM 0 HG21 ILE B 30 0.505 17.849 7.454 1.00 2.78 H new ATOM 0 HG22 ILE B 30 1.258 19.331 8.089 1.00 2.78 H new ATOM 0 HG23 ILE B 30 -0.024 18.517 9.017 1.00 2.78 H new ATOM 0 HD11 ILE B 30 -2.843 17.085 6.171 1.00 2.00 H new ATOM 0 HD12 ILE B 30 -1.571 17.915 5.244 1.00 2.00 H new ATOM 0 HD13 ILE B 30 -1.139 16.920 6.655 1.00 2.00 H new ATOM 2272 N GLN B 31 0.677 22.520 7.358 1.00 7.06 N ATOM 2273 CA GLN B 31 1.900 23.304 7.467 1.00 8.67 C ATOM 2274 C GLN B 31 1.762 24.363 8.558 1.00 10.90 C ATOM 2275 O GLN B 31 2.753 24.904 9.039 1.00 9.63 O ATOM 2276 CB GLN B 31 2.249 23.970 6.137 1.00 9.12 C ATOM 2277 CG GLN B 31 3.648 24.567 6.121 1.00 10.76 C ATOM 2278 CD GLN B 31 3.883 25.505 4.954 1.00 13.78 C ATOM 2279 OE1 GLN B 31 2.949 26.106 4.423 1.00 14.48 O ATOM 2280 NE2 GLN B 31 5.137 25.648 4.560 1.00 14.76 N ATOM 0 H GLN B 31 0.141 22.688 6.507 1.00 7.06 H new ATOM 0 HA GLN B 31 2.708 22.623 7.733 1.00 8.67 H new ATOM 0 HB2 GLN B 31 2.164 23.236 5.336 1.00 9.12 H new ATOM 0 HB3 GLN B 31 1.522 24.755 5.928 1.00 9.12 H new ATOM 0 HG2 GLN B 31 3.816 25.107 7.053 1.00 10.76 H new ATOM 0 HG3 GLN B 31 4.380 23.760 6.084 1.00 10.76 H new ATOM 0 HE21 GLN B 31 5.881 25.130 5.028 1.00 14.76 H new ATOM 0 HE22 GLN B 31 5.361 26.276 3.788 1.00 14.76 H new ATOM 2289 N ASP B 32 0.534 24.670 8.941 1.00 10.93 N ATOM 2290 CA ASP B 32 0.304 25.651 9.993 1.00 14.01 C ATOM 2291 C ASP B 32 0.489 24.996 11.352 1.00 14.04 C ATOM 2292 O ASP B 32 1.089 25.570 12.257 1.00 13.39 O ATOM 2293 CB ASP B 32 -1.100 26.245 9.891 1.00 18.01 C ATOM 2294 CG ASP B 32 -1.375 27.266 10.980 1.00 24.33 C ATOM 2295 OD1 ASP B 32 -0.696 28.315 11.003 1.00 25.17 O ATOM 2296 OD2 ASP B 32 -2.280 27.033 11.810 1.00 26.29 O ATOM 0 H ASP B 32 -0.312 24.260 8.545 1.00 10.93 H new ATOM 0 HA ASP B 32 1.026 26.459 9.874 1.00 14.01 H new ATOM 0 HB2 ASP B 32 -1.223 26.716 8.916 1.00 18.01 H new ATOM 0 HB3 ASP B 32 -1.836 25.444 9.953 1.00 18.01 H new ATOM 2301 N LYS B 33 -0.015 23.775 11.470 1.00 14.22 N ATOM 2302 CA LYS B 33 0.077 23.021 12.711 1.00 14.00 C ATOM 2303 C LYS B 33 1.459 22.390 12.894 1.00 12.37 C ATOM 2304 O LYS B 33 2.082 22.544 13.942 1.00 12.17 O ATOM 2305 CB LYS B 33 -1.004 21.934 12.747 1.00 18.62 C ATOM 2306 CG LYS B 33 -2.414 22.477 12.941 1.00 24.00 C ATOM 2307 CD LYS B 33 -3.401 21.361 13.253 1.00 27.61 C ATOM 2308 CE LYS B 33 -4.769 21.911 13.632 1.00 27.64 C ATOM 2309 NZ LYS B 33 -5.643 20.864 14.233 1.00 30.06 N ATOM 0 H LYS B 33 -0.495 23.284 10.716 1.00 14.22 H new ATOM 0 HA LYS B 33 -0.079 23.719 13.533 1.00 14.00 H new ATOM 0 HB2 LYS B 33 -0.968 21.367 11.817 1.00 18.62 H new ATOM 0 HB3 LYS B 33 -0.779 21.237 13.554 1.00 18.62 H new ATOM 0 HG2 LYS B 33 -2.417 23.205 13.753 1.00 24.00 H new ATOM 0 HG3 LYS B 33 -2.730 23.003 12.040 1.00 24.00 H new ATOM 0 HD2 LYS B 33 -3.499 20.708 12.386 1.00 27.61 H new ATOM 0 HD3 LYS B 33 -3.015 20.751 14.070 1.00 27.61 H new ATOM 0 HE2 LYS B 33 -4.647 22.732 14.339 1.00 27.64 H new ATOM 0 HE3 LYS B 33 -5.253 22.323 12.746 1.00 27.64 H new ATOM 0 HZ1 LYS B 33 -6.559 21.283 14.492 1.00 30.06 H new ATOM 0 HZ2 LYS B 33 -5.795 20.101 13.543 1.00 30.06 H new ATOM 0 HZ3 LYS B 33 -5.186 20.477 15.083 1.00 30.06 H new ATOM 2323 N GLU B 34 1.937 21.685 11.876 1.00 10.11 N ATOM 2324 CA GLU B 34 3.235 21.016 11.954 1.00 10.07 C ATOM 2325 C GLU B 34 4.370 21.921 11.477 1.00 9.32 C ATOM 2326 O GLU B 34 5.403 22.035 12.135 1.00 11.61 O ATOM 2327 CB GLU B 34 3.217 19.729 11.127 1.00 14.77 C ATOM 2328 CG GLU B 34 2.207 18.702 11.614 1.00 18.75 C ATOM 2329 CD GLU B 34 2.497 18.213 13.018 1.00 22.28 C ATOM 2330 OE1 GLU B 34 3.679 17.952 13.333 1.00 21.95 O ATOM 2331 OE2 GLU B 34 1.547 18.081 13.815 1.00 25.19 O ATOM 0 H GLU B 34 1.449 21.560 10.989 1.00 10.11 H new ATOM 0 HA GLU B 34 3.416 20.775 13.001 1.00 10.07 H new ATOM 0 HB2 GLU B 34 2.997 19.978 10.089 1.00 14.77 H new ATOM 0 HB3 GLU B 34 4.212 19.283 11.144 1.00 14.77 H new ATOM 0 HG2 GLU B 34 1.209 19.139 11.585 1.00 18.75 H new ATOM 0 HG3 GLU B 34 2.202 17.852 10.932 1.00 18.75 H new ATOM 2338 N GLY B 35 4.179 22.552 10.327 1.00 7.22 N ATOM 2339 CA GLY B 35 5.201 23.432 9.785 1.00 6.29 C ATOM 2340 C GLY B 35 6.000 22.781 8.676 1.00 6.93 C ATOM 2341 O GLY B 35 6.928 23.379 8.135 1.00 7.41 O ATOM 0 H GLY B 35 3.336 22.472 9.758 1.00 7.22 H new ATOM 0 HA2 GLY B 35 4.730 24.339 9.405 1.00 6.29 H new ATOM 0 HA3 GLY B 35 5.876 23.735 10.585 1.00 6.29 H new ATOM 2345 N ILE B 36 5.637 21.553 8.334 1.00 5.86 N ATOM 2346 CA ILE B 36 6.329 20.810 7.289 1.00 6.07 C ATOM 2347 C ILE B 36 5.919 21.311 5.903 1.00 6.36 C ATOM 2348 O ILE B 36 4.728 21.437 5.618 1.00 6.18 O ATOM 2349 CB ILE B 36 6.035 19.296 7.402 1.00 7.47 C ATOM 2350 CG1 ILE B 36 6.294 18.810 8.833 1.00 8.52 C ATOM 2351 CG2 ILE B 36 6.883 18.514 6.409 1.00 7.36 C ATOM 2352 CD1 ILE B 36 5.765 17.419 9.113 1.00 9.49 C ATOM 0 H ILE B 36 4.864 21.048 8.767 1.00 5.86 H new ATOM 0 HA ILE B 36 7.399 20.972 7.422 1.00 6.07 H new ATOM 0 HB ILE B 36 4.985 19.126 7.164 1.00 7.47 H new ATOM 0 HG12 ILE B 36 7.367 18.825 9.023 1.00 8.52 H new ATOM 0 HG13 ILE B 36 5.837 19.510 9.532 1.00 8.52 H new ATOM 0 HG21 ILE B 36 6.664 17.450 6.502 1.00 7.36 H new ATOM 0 HG22 ILE B 36 6.654 18.845 5.396 1.00 7.36 H new ATOM 0 HG23 ILE B 36 7.939 18.686 6.617 1.00 7.36 H new ATOM 0 HD11 ILE B 36 5.987 17.146 10.145 1.00 9.49 H new ATOM 0 HD12 ILE B 36 4.686 17.402 8.957 1.00 9.49 H new ATOM 0 HD13 ILE B 36 6.241 16.706 8.439 1.00 9.49 H new ATOM 2364 N PRO B 37 6.901 21.628 5.036 1.00 8.65 N ATOM 2365 CA PRO B 37 6.638 22.111 3.671 1.00 9.18 C ATOM 2366 C PRO B 37 5.732 21.167 2.877 1.00 9.85 C ATOM 2367 O PRO B 37 6.027 19.975 2.746 1.00 8.51 O ATOM 2368 CB PRO B 37 8.028 22.159 3.034 1.00 11.42 C ATOM 2369 CG PRO B 37 8.968 22.310 4.179 1.00 9.27 C ATOM 2370 CD PRO B 37 8.347 21.559 5.323 1.00 8.33 C ATOM 0 HA PRO B 37 6.118 23.069 3.679 1.00 9.18 H new ATOM 0 HB2 PRO B 37 8.236 21.250 2.469 1.00 11.42 H new ATOM 0 HB3 PRO B 37 8.115 22.993 2.338 1.00 11.42 H new ATOM 0 HG2 PRO B 37 9.950 21.906 3.934 1.00 9.27 H new ATOM 0 HG3 PRO B 37 9.110 23.361 4.432 1.00 9.27 H new ATOM 0 HD2 PRO B 37 8.699 20.528 5.365 1.00 8.33 H new ATOM 0 HD3 PRO B 37 8.588 22.017 6.282 1.00 8.33 H new ATOM 2378 N PRO B 38 4.610 21.692 2.347 1.00 8.71 N ATOM 2379 CA PRO B 38 3.642 20.914 1.554 1.00 9.08 C ATOM 2380 C PRO B 38 4.275 20.151 0.388 1.00 9.28 C ATOM 2381 O PRO B 38 3.760 19.114 -0.032 1.00 6.50 O ATOM 2382 CB PRO B 38 2.684 21.981 1.022 1.00 10.31 C ATOM 2383 CG PRO B 38 2.756 23.080 2.021 1.00 10.81 C ATOM 2384 CD PRO B 38 4.176 23.094 2.509 1.00 12.00 C ATOM 0 HA PRO B 38 3.170 20.142 2.161 1.00 9.08 H new ATOM 0 HB2 PRO B 38 2.984 22.325 0.032 1.00 10.31 H new ATOM 0 HB3 PRO B 38 1.669 21.593 0.931 1.00 10.31 H new ATOM 0 HG2 PRO B 38 2.487 24.036 1.571 1.00 10.81 H new ATOM 0 HG3 PRO B 38 2.061 22.908 2.843 1.00 10.81 H new ATOM 0 HD2 PRO B 38 4.794 23.776 1.925 1.00 12.00 H new ATOM 0 HD3 PRO B 38 4.240 23.416 3.548 1.00 12.00 H new ATOM 2392 N ASP B 39 5.395 20.654 -0.119 1.00 11.20 N ATOM 2393 CA ASP B 39 6.086 20.014 -1.240 1.00 14.96 C ATOM 2394 C ASP B 39 6.600 18.628 -0.862 1.00 13.99 C ATOM 2395 O ASP B 39 6.759 17.760 -1.722 1.00 13.75 O ATOM 2396 CB ASP B 39 7.250 20.876 -1.726 1.00 24.16 C ATOM 2397 CG ASP B 39 7.211 21.102 -3.223 1.00 31.06 C ATOM 2398 OD1 ASP B 39 6.152 21.516 -3.742 1.00 35.55 O ATOM 2399 OD2 ASP B 39 8.239 20.872 -3.893 1.00 34.22 O ATOM 0 H ASP B 39 5.846 21.502 0.226 1.00 11.20 H new ATOM 0 HA ASP B 39 5.360 19.906 -2.046 1.00 14.96 H new ATOM 0 HB2 ASP B 39 7.225 21.838 -1.215 1.00 24.16 H new ATOM 0 HB3 ASP B 39 8.191 20.397 -1.457 1.00 24.16 H new ATOM 2404 N GLN B 40 6.860 18.416 0.423 1.00 11.60 N ATOM 2405 CA GLN B 40 7.349 17.125 0.891 1.00 10.76 C ATOM 2406 C GLN B 40 6.224 16.339 1.553 1.00 8.01 C ATOM 2407 O GLN B 40 6.431 15.234 2.054 1.00 8.96 O ATOM 2408 CB GLN B 40 8.520 17.303 1.856 1.00 11.14 C ATOM 2409 CG GLN B 40 9.717 16.425 1.514 1.00 14.85 C ATOM 2410 CD GLN B 40 10.939 16.750 2.347 1.00 16.11 C ATOM 2411 OE1 GLN B 40 11.123 17.886 2.788 1.00 20.52 O ATOM 2412 NE2 GLN B 40 11.787 15.759 2.561 1.00 18.16 N ATOM 0 H GLN B 40 6.741 19.116 1.155 1.00 11.60 H new ATOM 0 HA GLN B 40 7.705 16.562 0.028 1.00 10.76 H new ATOM 0 HB2 GLN B 40 8.831 18.348 1.852 1.00 11.14 H new ATOM 0 HB3 GLN B 40 8.187 17.074 2.868 1.00 11.14 H new ATOM 0 HG2 GLN B 40 9.449 15.379 1.663 1.00 14.85 H new ATOM 0 HG3 GLN B 40 9.960 16.545 0.458 1.00 14.85 H new ATOM 0 HE21 GLN B 40 11.597 14.833 2.178 1.00 18.16 H new ATOM 0 HE22 GLN B 40 12.632 15.920 3.110 1.00 18.16 H new ATOM 2421 N GLN B 41 5.034 16.920 1.542 1.00 6.52 N ATOM 2422 CA GLN B 41 3.862 16.289 2.123 1.00 3.87 C ATOM 2423 C GLN B 41 3.192 15.394 1.095 1.00 4.79 C ATOM 2424 O GLN B 41 2.874 15.840 -0.009 1.00 6.34 O ATOM 2425 CB GLN B 41 2.846 17.336 2.584 1.00 4.20 C ATOM 2426 CG GLN B 41 3.253 18.146 3.803 1.00 3.20 C ATOM 2427 CD GLN B 41 2.117 19.032 4.283 1.00 4.89 C ATOM 2428 OE1 GLN B 41 0.947 18.680 4.147 1.00 5.21 O ATOM 2429 NE2 GLN B 41 2.443 20.188 4.835 1.00 7.13 N ATOM 0 H GLN B 41 4.855 17.837 1.132 1.00 6.52 H new ATOM 0 HA GLN B 41 4.192 15.703 2.981 1.00 3.87 H new ATOM 0 HB2 GLN B 41 2.658 18.023 1.759 1.00 4.20 H new ATOM 0 HB3 GLN B 41 1.904 16.833 2.801 1.00 4.20 H new ATOM 0 HG2 GLN B 41 3.555 17.473 4.605 1.00 3.20 H new ATOM 0 HG3 GLN B 41 4.119 18.762 3.560 1.00 3.20 H new ATOM 0 HE21 GLN B 41 3.425 20.448 4.932 1.00 7.13 H new ATOM 0 HE22 GLN B 41 1.713 20.820 5.164 1.00 7.13 H new ATOM 2438 N ARG B 42 2.993 14.138 1.449 1.00 5.73 N ATOM 2439 CA ARG B 42 2.334 13.200 0.561 1.00 6.97 C ATOM 2440 C ARG B 42 1.146 12.568 1.268 1.00 7.15 C ATOM 2441 O ARG B 42 1.311 11.760 2.183 1.00 7.33 O ATOM 2442 CB ARG B 42 3.304 12.119 0.075 1.00 13.23 C ATOM 2443 CG ARG B 42 4.268 12.608 -0.997 1.00 21.27 C ATOM 2444 CD ARG B 42 5.081 11.464 -1.582 1.00 26.14 C ATOM 2445 NE ARG B 42 5.822 11.873 -2.774 1.00 32.26 N ATOM 2446 CZ ARG B 42 6.329 11.026 -3.671 1.00 34.32 C ATOM 2447 NH1 ARG B 42 6.156 9.715 -3.531 1.00 35.30 N ATOM 2448 NH2 ARG B 42 7.000 11.493 -4.714 1.00 36.39 N ATOM 0 H ARG B 42 3.279 13.744 2.346 1.00 5.73 H new ATOM 0 HA ARG B 42 1.982 13.746 -0.314 1.00 6.97 H new ATOM 0 HB2 ARG B 42 3.876 11.746 0.925 1.00 13.23 H new ATOM 0 HB3 ARG B 42 2.732 11.278 -0.318 1.00 13.23 H new ATOM 0 HG2 ARG B 42 3.709 13.102 -1.792 1.00 21.27 H new ATOM 0 HG3 ARG B 42 4.940 13.352 -0.570 1.00 21.27 H new ATOM 0 HD2 ARG B 42 5.778 11.094 -0.831 1.00 26.14 H new ATOM 0 HD3 ARG B 42 4.416 10.638 -1.834 1.00 26.14 H new ATOM 0 HE ARG B 42 5.960 12.871 -2.930 1.00 32.26 H new ATOM 0 HH11 ARG B 42 5.633 9.352 -2.734 1.00 35.30 H new ATOM 0 HH12 ARG B 42 6.546 9.073 -4.220 1.00 35.30 H new ATOM 0 HH21 ARG B 42 7.128 12.498 -4.830 1.00 36.39 H new ATOM 0 HH22 ARG B 42 7.389 10.847 -5.401 1.00 36.39 H new ATOM 2462 N LEU B 43 -0.049 12.979 0.867 1.00 4.65 N ATOM 2463 CA LEU B 43 -1.277 12.453 1.445 1.00 3.51 C ATOM 2464 C LEU B 43 -1.752 11.247 0.647 1.00 5.56 C ATOM 2465 O LEU B 43 -1.815 11.294 -0.583 1.00 4.19 O ATOM 2466 CB LEU B 43 -2.366 13.529 1.472 1.00 3.74 C ATOM 2467 CG LEU B 43 -2.107 14.704 2.418 1.00 6.32 C ATOM 2468 CD1 LEU B 43 -3.155 15.788 2.215 1.00 9.55 C ATOM 2469 CD2 LEU B 43 -2.104 14.231 3.864 1.00 6.41 C ATOM 0 H LEU B 43 -0.194 13.679 0.140 1.00 4.65 H new ATOM 0 HA LEU B 43 -1.073 12.145 2.470 1.00 3.51 H new ATOM 0 HB2 LEU B 43 -2.492 13.919 0.462 1.00 3.74 H new ATOM 0 HB3 LEU B 43 -3.309 13.060 1.753 1.00 3.74 H new ATOM 0 HG LEU B 43 -1.127 15.123 2.190 1.00 6.32 H new ATOM 0 HD11 LEU B 43 -2.958 16.617 2.895 1.00 9.55 H new ATOM 0 HD12 LEU B 43 -3.115 16.145 1.186 1.00 9.55 H new ATOM 0 HD13 LEU B 43 -4.145 15.380 2.419 1.00 9.55 H new ATOM 0 HD21 LEU B 43 -1.918 15.079 4.524 1.00 6.41 H new ATOM 0 HD22 LEU B 43 -3.071 13.789 4.104 1.00 6.41 H new ATOM 0 HD23 LEU B 43 -1.320 13.486 4.001 1.00 6.41 H new ATOM 2481 N ILE B 44 -2.072 10.172 1.349 1.00 4.58 N ATOM 2482 CA ILE B 44 -2.528 8.942 0.714 1.00 5.55 C ATOM 2483 C ILE B 44 -3.909 8.552 1.222 1.00 5.46 C ATOM 2484 O ILE B 44 -4.227 8.749 2.399 1.00 6.04 O ATOM 2485 CB ILE B 44 -1.552 7.771 0.972 1.00 6.80 C ATOM 2486 CG1 ILE B 44 -0.103 8.247 0.871 1.00 10.31 C ATOM 2487 CG2 ILE B 44 -1.802 6.637 -0.012 1.00 7.39 C ATOM 2488 CD1 ILE B 44 0.523 8.568 2.210 1.00 13.90 C ATOM 0 H ILE B 44 -2.024 10.125 2.367 1.00 4.58 H new ATOM 0 HA ILE B 44 -2.570 9.136 -0.358 1.00 5.55 H new ATOM 0 HB ILE B 44 -1.727 7.399 1.982 1.00 6.80 H new ATOM 0 HG12 ILE B 44 0.490 7.477 0.377 1.00 10.31 H new ATOM 0 HG13 ILE B 44 -0.064 9.134 0.239 1.00 10.31 H new ATOM 0 HG21 ILE B 44 -1.105 5.823 0.186 1.00 7.39 H new ATOM 0 HG22 ILE B 44 -2.824 6.275 0.101 1.00 7.39 H new ATOM 0 HG23 ILE B 44 -1.656 6.999 -1.030 1.00 7.39 H new ATOM 0 HD11 ILE B 44 1.551 8.899 2.061 1.00 13.90 H new ATOM 0 HD12 ILE B 44 -0.046 9.359 2.697 1.00 13.90 H new ATOM 0 HD13 ILE B 44 0.516 7.677 2.838 1.00 13.90 H new ATOM 2500 N PHE B 45 -4.723 8.015 0.325 1.00 6.75 N ATOM 2501 CA PHE B 45 -6.070 7.587 0.660 1.00 4.70 C ATOM 2502 C PHE B 45 -6.492 6.440 -0.253 1.00 6.34 C ATOM 2503 O PHE B 45 -6.729 6.648 -1.446 1.00 5.45 O ATOM 2504 CB PHE B 45 -7.041 8.760 0.513 1.00 5.51 C ATOM 2505 CG PHE B 45 -8.325 8.610 1.280 1.00 5.98 C ATOM 2506 CD1 PHE B 45 -8.401 8.995 2.609 1.00 6.86 C ATOM 2507 CD2 PHE B 45 -9.456 8.095 0.669 1.00 5.87 C ATOM 2508 CE1 PHE B 45 -9.582 8.868 3.314 1.00 6.68 C ATOM 2509 CE2 PHE B 45 -10.641 7.965 1.370 1.00 6.64 C ATOM 2510 CZ PHE B 45 -10.704 8.352 2.693 1.00 6.84 C ATOM 0 H PHE B 45 -4.468 7.865 -0.651 1.00 6.75 H new ATOM 0 HA PHE B 45 -6.088 7.241 1.694 1.00 4.70 H new ATOM 0 HB2 PHE B 45 -6.541 9.671 0.841 1.00 5.51 H new ATOM 0 HB3 PHE B 45 -7.277 8.889 -0.543 1.00 5.51 H new ATOM 0 HD1 PHE B 45 -7.527 9.399 3.099 1.00 6.86 H new ATOM 0 HD2 PHE B 45 -9.412 7.791 -0.367 1.00 5.87 H new ATOM 0 HE1 PHE B 45 -9.629 9.172 4.349 1.00 6.68 H new ATOM 0 HE2 PHE B 45 -11.516 7.561 0.883 1.00 6.64 H new ATOM 0 HZ PHE B 45 -11.628 8.252 3.242 1.00 6.84 H new ATOM 2520 N ALA B 46 -6.534 5.232 0.312 1.00 6.53 N ATOM 2521 CA ALA B 46 -6.943 4.025 -0.413 1.00 7.15 C ATOM 2522 C ALA B 46 -5.905 3.605 -1.448 1.00 9.00 C ATOM 2523 O ALA B 46 -6.247 3.254 -2.578 1.00 11.15 O ATOM 2524 CB ALA B 46 -8.308 4.213 -1.068 1.00 8.99 C ATOM 0 H ALA B 46 -6.285 5.062 1.286 1.00 6.53 H new ATOM 0 HA ALA B 46 -7.021 3.223 0.321 1.00 7.15 H new ATOM 0 HB1 ALA B 46 -8.586 3.302 -1.598 1.00 8.99 H new ATOM 0 HB2 ALA B 46 -9.053 4.428 -0.302 1.00 8.99 H new ATOM 0 HB3 ALA B 46 -8.262 5.043 -1.773 1.00 8.99 H new ATOM 2530 N GLY B 47 -4.637 3.626 -1.048 1.00 9.35 N ATOM 2531 CA GLY B 47 -3.564 3.239 -1.949 1.00 11.68 C ATOM 2532 C GLY B 47 -3.393 4.198 -3.110 1.00 11.14 C ATOM 2533 O GLY B 47 -2.871 3.827 -4.167 1.00 13.93 O ATOM 0 H GLY B 47 -4.332 3.904 -0.115 1.00 9.35 H new ATOM 0 HA2 GLY B 47 -2.630 3.183 -1.390 1.00 11.68 H new ATOM 0 HA3 GLY B 47 -3.764 2.240 -2.336 1.00 11.68 H new ATOM 2537 N LYS B 48 -3.843 5.427 -2.926 1.00 10.47 N ATOM 2538 CA LYS B 48 -3.735 6.443 -3.959 1.00 8.82 C ATOM 2539 C LYS B 48 -3.331 7.773 -3.344 1.00 7.68 C ATOM 2540 O LYS B 48 -3.874 8.179 -2.317 1.00 6.47 O ATOM 2541 CB LYS B 48 -5.066 6.594 -4.704 1.00 9.74 C ATOM 2542 CG LYS B 48 -5.497 5.335 -5.444 1.00 14.14 C ATOM 2543 CD LYS B 48 -6.861 5.497 -6.095 1.00 16.32 C ATOM 2544 CE LYS B 48 -7.963 5.643 -5.060 1.00 20.04 C ATOM 2545 NZ LYS B 48 -9.306 5.638 -5.690 1.00 23.92 N ATOM 0 H LYS B 48 -4.289 5.747 -2.066 1.00 10.47 H new ATOM 0 HA LYS B 48 -2.970 6.133 -4.671 1.00 8.82 H new ATOM 0 HB2 LYS B 48 -5.843 6.870 -3.991 1.00 9.74 H new ATOM 0 HB3 LYS B 48 -4.982 7.414 -5.417 1.00 9.74 H new ATOM 0 HG2 LYS B 48 -4.758 5.092 -6.207 1.00 14.14 H new ATOM 0 HG3 LYS B 48 -5.525 4.497 -4.748 1.00 14.14 H new ATOM 0 HD2 LYS B 48 -6.853 6.373 -6.744 1.00 16.32 H new ATOM 0 HD3 LYS B 48 -7.067 4.633 -6.727 1.00 16.32 H new ATOM 0 HE2 LYS B 48 -7.896 4.829 -4.338 1.00 20.04 H new ATOM 0 HE3 LYS B 48 -7.823 6.572 -4.507 1.00 20.04 H new ATOM 0 HZ1 LYS B 48 -10.035 5.739 -4.955 1.00 23.92 H new ATOM 0 HZ2 LYS B 48 -9.378 6.430 -6.360 1.00 23.92 H new ATOM 0 HZ3 LYS B 48 -9.448 4.741 -6.197 1.00 23.92 H new ATOM 2559 N GLN B 49 -2.363 8.435 -3.960 1.00 8.89 N ATOM 2560 CA GLN B 49 -1.898 9.725 -3.474 1.00 7.18 C ATOM 2561 C GLN B 49 -2.891 10.816 -3.852 1.00 8.23 C ATOM 2562 O GLN B 49 -3.420 10.824 -4.965 1.00 9.70 O ATOM 2563 CB GLN B 49 -0.521 10.055 -4.046 1.00 11.67 C ATOM 2564 CG GLN B 49 0.621 9.286 -3.399 1.00 15.82 C ATOM 2565 CD GLN B 49 1.984 9.842 -3.781 1.00 20.21 C ATOM 2566 OE1 GLN B 49 2.939 9.751 -3.012 1.00 23.23 O ATOM 2567 NE2 GLN B 49 2.083 10.425 -4.967 1.00 20.67 N ATOM 0 H GLN B 49 -1.885 8.100 -4.797 1.00 8.89 H new ATOM 0 HA GLN B 49 -1.819 9.673 -2.388 1.00 7.18 H new ATOM 0 HB2 GLN B 49 -0.525 9.847 -5.116 1.00 11.67 H new ATOM 0 HB3 GLN B 49 -0.337 11.123 -3.929 1.00 11.67 H new ATOM 0 HG2 GLN B 49 0.509 9.318 -2.315 1.00 15.82 H new ATOM 0 HG3 GLN B 49 0.563 8.238 -3.694 1.00 15.82 H new ATOM 0 HE21 GLN B 49 1.268 10.481 -5.577 1.00 20.67 H new ATOM 0 HE22 GLN B 49 2.975 10.818 -5.269 1.00 20.67 H new ATOM 2576 N LEU B 50 -3.140 11.724 -2.926 1.00 6.51 N ATOM 2577 CA LEU B 50 -4.077 12.813 -3.154 1.00 7.41 C ATOM 2578 C LEU B 50 -3.415 13.940 -3.933 1.00 8.27 C ATOM 2579 O LEU B 50 -2.353 14.435 -3.546 1.00 8.34 O ATOM 2580 CB LEU B 50 -4.615 13.348 -1.823 1.00 7.13 C ATOM 2581 CG LEU B 50 -5.137 12.285 -0.855 1.00 7.53 C ATOM 2582 CD1 LEU B 50 -5.780 12.936 0.359 1.00 8.14 C ATOM 2583 CD2 LEU B 50 -6.121 11.361 -1.553 1.00 9.11 C ATOM 0 H LEU B 50 -2.705 11.730 -2.004 1.00 6.51 H new ATOM 0 HA LEU B 50 -4.909 12.423 -3.741 1.00 7.41 H new ATOM 0 HB2 LEU B 50 -3.822 13.908 -1.328 1.00 7.13 H new ATOM 0 HB3 LEU B 50 -5.420 14.052 -2.032 1.00 7.13 H new ATOM 0 HG LEU B 50 -4.291 11.688 -0.514 1.00 7.53 H new ATOM 0 HD11 LEU B 50 -6.145 12.163 1.036 1.00 8.14 H new ATOM 0 HD12 LEU B 50 -5.043 13.551 0.875 1.00 8.14 H new ATOM 0 HD13 LEU B 50 -6.614 13.561 0.038 1.00 8.14 H new ATOM 0 HD21 LEU B 50 -6.480 10.612 -0.847 1.00 9.11 H new ATOM 0 HD22 LEU B 50 -6.964 11.942 -1.926 1.00 9.11 H new ATOM 0 HD23 LEU B 50 -5.625 10.865 -2.387 1.00 9.11 H new ATOM 2595 N GLU B 51 -4.034 14.331 -5.036 1.00 9.43 N ATOM 2596 CA GLU B 51 -3.512 15.406 -5.865 1.00 11.90 C ATOM 2597 C GLU B 51 -3.950 16.756 -5.309 1.00 11.49 C ATOM 2598 O GLU B 51 -5.060 16.893 -4.800 1.00 9.88 O ATOM 2599 CB GLU B 51 -3.983 15.248 -7.310 1.00 16.56 C ATOM 2600 CG GLU B 51 -3.627 13.903 -7.920 1.00 26.06 C ATOM 2601 CD GLU B 51 -4.201 13.716 -9.308 1.00 29.86 C ATOM 2602 OE1 GLU B 51 -5.441 13.746 -9.456 1.00 32.13 O ATOM 2603 OE2 GLU B 51 -3.417 13.529 -10.260 1.00 33.44 O ATOM 0 H GLU B 51 -4.902 13.918 -5.379 1.00 9.43 H new ATOM 0 HA GLU B 51 -2.423 15.357 -5.853 1.00 11.90 H new ATOM 0 HB2 GLU B 51 -5.064 15.380 -7.348 1.00 16.56 H new ATOM 0 HB3 GLU B 51 -3.543 16.040 -7.916 1.00 16.56 H new ATOM 0 HG2 GLU B 51 -2.542 13.806 -7.965 1.00 26.06 H new ATOM 0 HG3 GLU B 51 -3.992 13.107 -7.271 1.00 26.06 H new ATOM 2610 N ASP B 52 -3.084 17.755 -5.434 1.00 12.71 N ATOM 2611 CA ASP B 52 -3.355 19.094 -4.912 1.00 16.56 C ATOM 2612 C ASP B 52 -4.532 19.762 -5.619 1.00 15.83 C ATOM 2613 O ASP B 52 -5.235 20.585 -5.028 1.00 17.21 O ATOM 2614 CB ASP B 52 -2.112 19.978 -5.043 1.00 21.05 C ATOM 2615 CG ASP B 52 -0.993 19.550 -4.114 1.00 25.12 C ATOM 2616 OD1 ASP B 52 -1.072 19.832 -2.899 1.00 25.82 O ATOM 2617 OD2 ASP B 52 -0.026 18.921 -4.594 1.00 28.37 O ATOM 0 H ASP B 52 -2.179 17.664 -5.896 1.00 12.71 H new ATOM 0 HA ASP B 52 -3.618 18.979 -3.860 1.00 16.56 H new ATOM 0 HB2 ASP B 52 -1.756 19.948 -6.073 1.00 21.05 H new ATOM 0 HB3 ASP B 52 -2.382 21.012 -4.829 1.00 21.05 H new ATOM 2622 N GLY B 53 -4.747 19.402 -6.877 1.00 15.00 N ATOM 2623 CA GLY B 53 -5.832 19.989 -7.646 1.00 11.77 C ATOM 2624 C GLY B 53 -7.133 19.212 -7.537 1.00 11.10 C ATOM 2625 O GLY B 53 -7.943 19.219 -8.463 1.00 11.25 O ATOM 0 H GLY B 53 -4.190 18.713 -7.382 1.00 15.00 H new ATOM 0 HA2 GLY B 53 -5.998 21.011 -7.306 1.00 11.77 H new ATOM 0 HA3 GLY B 53 -5.537 20.045 -8.694 1.00 11.77 H new ATOM 2629 N ARG B 54 -7.335 18.533 -6.415 1.00 8.53 N ATOM 2630 CA ARG B 54 -8.554 17.759 -6.199 1.00 9.05 C ATOM 2631 C ARG B 54 -9.194 18.142 -4.872 1.00 8.96 C ATOM 2632 O ARG B 54 -8.561 18.789 -4.036 1.00 11.60 O ATOM 2633 CB ARG B 54 -8.250 16.259 -6.196 1.00 7.97 C ATOM 2634 CG ARG B 54 -7.469 15.780 -7.407 1.00 9.62 C ATOM 2635 CD ARG B 54 -8.317 15.769 -8.666 1.00 12.20 C ATOM 2636 NE ARG B 54 -7.542 15.362 -9.836 1.00 18.23 N ATOM 2637 CZ ARG B 54 -7.875 15.645 -11.091 1.00 22.08 C ATOM 2638 NH1 ARG B 54 -8.980 16.332 -11.352 1.00 25.50 N ATOM 2639 NH2 ARG B 54 -7.103 15.239 -12.090 1.00 23.38 N ATOM 0 H ARG B 54 -6.672 18.502 -5.640 1.00 8.53 H new ATOM 0 HA ARG B 54 -9.243 17.982 -7.014 1.00 9.05 H new ATOM 0 HB2 ARG B 54 -7.687 16.016 -5.295 1.00 7.97 H new ATOM 0 HB3 ARG B 54 -9.190 15.709 -6.143 1.00 7.97 H new ATOM 0 HG2 ARG B 54 -6.604 16.426 -7.559 1.00 9.62 H new ATOM 0 HG3 ARG B 54 -7.088 14.776 -7.218 1.00 9.62 H new ATOM 0 HD2 ARG B 54 -9.158 15.089 -8.532 1.00 12.20 H new ATOM 0 HD3 ARG B 54 -8.734 16.762 -8.833 1.00 12.20 H new ATOM 0 HE ARG B 54 -6.689 14.825 -9.679 1.00 18.23 H new ATOM 0 HH11 ARG B 54 -9.578 16.645 -10.588 1.00 25.50 H new ATOM 0 HH12 ARG B 54 -9.231 16.547 -12.317 1.00 25.50 H new ATOM 0 HH21 ARG B 54 -6.253 14.709 -11.895 1.00 23.38 H new ATOM 0 HH22 ARG B 54 -7.359 15.456 -13.053 1.00 23.38 H new ATOM 2653 N THR B 55 -10.444 17.744 -4.682 1.00 9.05 N ATOM 2654 CA THR B 55 -11.159 18.032 -3.449 1.00 9.03 C ATOM 2655 C THR B 55 -11.327 16.756 -2.634 1.00 8.15 C ATOM 2656 O THR B 55 -10.996 15.664 -3.102 1.00 5.91 O ATOM 2657 CB THR B 55 -12.555 18.639 -3.721 1.00 11.15 C ATOM 2658 OG1 THR B 55 -13.347 17.731 -4.506 1.00 11.95 O ATOM 2659 CG2 THR B 55 -12.437 19.973 -4.443 1.00 11.71 C ATOM 0 H THR B 55 -10.985 17.219 -5.369 1.00 9.05 H new ATOM 0 HA THR B 55 -10.568 18.761 -2.895 1.00 9.03 H new ATOM 0 HB THR B 55 -13.043 18.806 -2.761 1.00 11.15 H new ATOM 0 HG1 THR B 55 -12.970 17.664 -5.408 1.00 11.95 H new ATOM 0 HG21 THR B 55 -13.433 20.379 -4.622 1.00 11.71 H new ATOM 0 HG22 THR B 55 -11.866 20.670 -3.829 1.00 11.71 H new ATOM 0 HG23 THR B 55 -11.927 19.827 -5.395 1.00 11.71 H new ATOM 2667 N LEU B 56 -11.842 16.889 -1.421 1.00 6.91 N ATOM 2668 CA LEU B 56 -12.067 15.738 -0.560 1.00 8.29 C ATOM 2669 C LEU B 56 -13.203 14.885 -1.115 1.00 8.05 C ATOM 2670 O LEU B 56 -13.202 13.661 -0.973 1.00 10.17 O ATOM 2671 CB LEU B 56 -12.390 16.192 0.865 1.00 6.60 C ATOM 2672 CG LEU B 56 -11.266 16.946 1.580 1.00 7.73 C ATOM 2673 CD1 LEU B 56 -11.712 17.372 2.965 1.00 9.85 C ATOM 2674 CD2 LEU B 56 -10.014 16.088 1.671 1.00 8.64 C ATOM 0 H LEU B 56 -12.112 17.783 -1.011 1.00 6.91 H new ATOM 0 HA LEU B 56 -11.157 15.138 -0.532 1.00 8.29 H new ATOM 0 HB2 LEU B 56 -13.272 16.831 0.834 1.00 6.60 H new ATOM 0 HB3 LEU B 56 -12.652 15.316 1.458 1.00 6.60 H new ATOM 0 HG LEU B 56 -11.030 17.837 0.998 1.00 7.73 H new ATOM 0 HD11 LEU B 56 -10.901 17.907 3.460 1.00 9.85 H new ATOM 0 HD12 LEU B 56 -12.581 18.025 2.883 1.00 9.85 H new ATOM 0 HD13 LEU B 56 -11.975 16.491 3.550 1.00 9.85 H new ATOM 0 HD21 LEU B 56 -9.228 16.644 2.183 1.00 8.64 H new ATOM 0 HD22 LEU B 56 -10.236 15.178 2.228 1.00 8.64 H new ATOM 0 HD23 LEU B 56 -9.679 15.826 0.667 1.00 8.64 H new ATOM 2686 N SER B 57 -14.165 15.537 -1.762 1.00 8.92 N ATOM 2687 CA SER B 57 -15.301 14.845 -2.353 1.00 9.00 C ATOM 2688 C SER B 57 -14.862 13.966 -3.520 1.00 9.44 C ATOM 2689 O SER B 57 -15.473 12.932 -3.793 1.00 10.91 O ATOM 2690 CB SER B 57 -16.337 15.864 -2.820 1.00 10.32 C ATOM 2691 OG SER B 57 -15.775 17.167 -2.871 1.00 13.59 O ATOM 0 H SER B 57 -14.178 16.549 -1.889 1.00 8.92 H new ATOM 0 HA SER B 57 -15.745 14.199 -1.595 1.00 9.00 H new ATOM 0 HB2 SER B 57 -16.710 15.585 -3.806 1.00 10.32 H new ATOM 0 HB3 SER B 57 -17.191 15.858 -2.143 1.00 10.32 H new ATOM 0 HG SER B 57 -15.025 17.175 -3.502 1.00 13.59 H new ATOM 2697 N ASP B 58 -13.790 14.368 -4.198 1.00 9.11 N ATOM 2698 CA ASP B 58 -13.275 13.606 -5.333 1.00 7.91 C ATOM 2699 C ASP B 58 -12.808 12.232 -4.878 1.00 9.12 C ATOM 2700 O ASP B 58 -12.996 11.231 -5.570 1.00 8.61 O ATOM 2701 CB ASP B 58 -12.114 14.341 -6.007 1.00 8.41 C ATOM 2702 CG ASP B 58 -12.561 15.537 -6.822 1.00 11.50 C ATOM 2703 OD1 ASP B 58 -13.399 15.368 -7.734 1.00 10.05 O ATOM 2704 OD2 ASP B 58 -12.066 16.654 -6.563 1.00 11.70 O ATOM 0 H ASP B 58 -13.262 15.214 -3.982 1.00 9.11 H new ATOM 0 HA ASP B 58 -14.084 13.494 -6.055 1.00 7.91 H new ATOM 0 HB2 ASP B 58 -11.409 14.672 -5.244 1.00 8.41 H new ATOM 0 HB3 ASP B 58 -11.579 13.647 -6.655 1.00 8.41 H new ATOM 2709 N TYR B 59 -12.212 12.189 -3.695 1.00 7.97 N ATOM 2710 CA TYR B 59 -11.714 10.940 -3.135 1.00 8.45 C ATOM 2711 C TYR B 59 -12.737 10.323 -2.190 1.00 10.98 C ATOM 2712 O TYR B 59 -12.450 9.338 -1.510 1.00 12.95 O ATOM 2713 CB TYR B 59 -10.390 11.170 -2.409 1.00 7.94 C ATOM 2714 CG TYR B 59 -9.272 11.599 -3.329 1.00 6.91 C ATOM 2715 CD1 TYR B 59 -8.636 10.680 -4.155 1.00 4.59 C ATOM 2716 CD2 TYR B 59 -8.855 12.923 -3.378 1.00 6.98 C ATOM 2717 CE1 TYR B 59 -7.614 11.070 -5.002 1.00 5.39 C ATOM 2718 CE2 TYR B 59 -7.835 13.319 -4.221 1.00 6.52 C ATOM 2719 CZ TYR B 59 -7.220 12.390 -5.030 1.00 6.76 C ATOM 2720 OH TYR B 59 -6.204 12.785 -5.871 1.00 7.63 O ATOM 0 H TYR B 59 -12.061 13.006 -3.103 1.00 7.97 H new ATOM 0 HA TYR B 59 -11.545 10.244 -3.956 1.00 8.45 H new ATOM 0 HB2 TYR B 59 -10.532 11.931 -1.641 1.00 7.94 H new ATOM 0 HB3 TYR B 59 -10.099 10.252 -1.898 1.00 7.94 H new ATOM 0 HD1 TYR B 59 -8.944 9.645 -4.135 1.00 4.59 H new ATOM 0 HD2 TYR B 59 -9.336 13.655 -2.746 1.00 6.98 H new ATOM 0 HE1 TYR B 59 -7.128 10.344 -5.637 1.00 5.39 H new ATOM 0 HE2 TYR B 59 -7.521 14.352 -4.245 1.00 6.52 H new ATOM 0 HH TYR B 59 -6.453 12.591 -6.799 1.00 7.63 H new ATOM 2730 N ASN B 60 -13.931 10.916 -2.160 1.00 12.38 N ATOM 2731 CA ASN B 60 -15.031 10.451 -1.314 1.00 13.94 C ATOM 2732 C ASN B 60 -14.626 10.398 0.152 1.00 14.16 C ATOM 2733 O ASN B 60 -15.010 9.479 0.882 1.00 14.26 O ATOM 2734 CB ASN B 60 -15.530 9.076 -1.765 1.00 19.23 C ATOM 2735 CG ASN B 60 -16.396 9.145 -3.006 1.00 22.65 C ATOM 2736 OD1 ASN B 60 -17.019 10.168 -3.293 1.00 25.45 O ATOM 2737 ND2 ASN B 60 -16.444 8.053 -3.748 1.00 24.09 N ATOM 0 H ASN B 60 -14.163 11.734 -2.723 1.00 12.38 H new ATOM 0 HA ASN B 60 -15.842 11.172 -1.420 1.00 13.94 H new ATOM 0 HB2 ASN B 60 -14.674 8.430 -1.960 1.00 19.23 H new ATOM 0 HB3 ASN B 60 -16.098 8.617 -0.956 1.00 19.23 H new ATOM 0 HD21 ASN B 60 -17.013 8.036 -4.595 1.00 24.09 H new ATOM 0 HD22 ASN B 60 -15.912 7.227 -3.474 1.00 24.09 H new ATOM 2744 N ILE B 61 -13.855 11.383 0.582 1.00 11.08 N ATOM 2745 CA ILE B 61 -13.417 11.450 1.963 1.00 11.78 C ATOM 2746 C ILE B 61 -14.554 11.970 2.830 1.00 13.74 C ATOM 2747 O ILE B 61 -14.882 13.157 2.804 1.00 14.60 O ATOM 2748 CB ILE B 61 -12.166 12.343 2.121 1.00 11.80 C ATOM 2749 CG1 ILE B 61 -10.997 11.740 1.336 1.00 11.56 C ATOM 2750 CG2 ILE B 61 -11.802 12.507 3.593 1.00 13.29 C ATOM 2751 CD1 ILE B 61 -9.723 12.554 1.400 1.00 11.42 C ATOM 0 H ILE B 61 -13.521 12.146 -0.006 1.00 11.08 H new ATOM 0 HA ILE B 61 -13.141 10.446 2.285 1.00 11.78 H new ATOM 0 HB ILE B 61 -12.386 13.332 1.720 1.00 11.80 H new ATOM 0 HG12 ILE B 61 -10.795 10.739 1.718 1.00 11.56 H new ATOM 0 HG13 ILE B 61 -11.293 11.630 0.293 1.00 11.56 H new ATOM 0 HG21 ILE B 61 -10.918 13.139 3.681 1.00 13.29 H new ATOM 0 HG22 ILE B 61 -12.634 12.970 4.124 1.00 13.29 H new ATOM 0 HG23 ILE B 61 -11.593 11.529 4.027 1.00 13.29 H new ATOM 0 HD11 ILE B 61 -8.945 12.059 0.819 1.00 11.42 H new ATOM 0 HD12 ILE B 61 -9.905 13.547 0.990 1.00 11.42 H new ATOM 0 HD13 ILE B 61 -9.400 12.643 2.437 1.00 11.42 H new ATOM 2763 N GLN B 62 -15.173 11.060 3.565 1.00 13.97 N ATOM 2764 CA GLN B 62 -16.292 11.400 4.428 1.00 15.52 C ATOM 2765 C GLN B 62 -15.806 11.919 5.776 1.00 13.94 C ATOM 2766 O GLN B 62 -14.604 12.083 6.004 1.00 12.15 O ATOM 2767 CB GLN B 62 -17.187 10.172 4.625 1.00 19.53 C ATOM 2768 CG GLN B 62 -17.917 9.745 3.363 1.00 26.38 C ATOM 2769 CD GLN B 62 -18.685 8.446 3.533 1.00 30.61 C ATOM 2770 OE1 GLN B 62 -19.137 8.108 4.631 1.00 33.23 O ATOM 2771 NE2 GLN B 62 -18.841 7.706 2.449 1.00 32.71 N ATOM 0 H GLN B 62 -14.916 10.073 3.580 1.00 13.97 H new ATOM 0 HA GLN B 62 -16.868 12.192 3.950 1.00 15.52 H new ATOM 0 HB2 GLN B 62 -16.577 9.342 4.981 1.00 19.53 H new ATOM 0 HB3 GLN B 62 -17.919 10.387 5.403 1.00 19.53 H new ATOM 0 HG2 GLN B 62 -18.608 10.533 3.065 1.00 26.38 H new ATOM 0 HG3 GLN B 62 -17.196 9.631 2.554 1.00 26.38 H new ATOM 0 HE21 GLN B 62 -18.453 8.018 1.559 1.00 32.71 H new ATOM 0 HE22 GLN B 62 -19.349 6.823 2.503 1.00 32.71 H new ATOM 2780 N LYS B 63 -16.751 12.176 6.660 1.00 11.73 N ATOM 2781 CA LYS B 63 -16.447 12.671 7.992 1.00 11.97 C ATOM 2782 C LYS B 63 -15.710 11.611 8.812 1.00 10.41 C ATOM 2783 O LYS B 63 -16.004 10.417 8.701 1.00 9.59 O ATOM 2784 CB LYS B 63 -17.743 13.080 8.701 1.00 13.73 C ATOM 2785 CG LYS B 63 -18.805 11.989 8.687 1.00 16.98 C ATOM 2786 CD LYS B 63 -20.209 12.553 8.825 1.00 20.19 C ATOM 2787 CE LYS B 63 -21.256 11.493 8.524 1.00 23.42 C ATOM 2788 NZ LYS B 63 -22.637 11.974 8.783 1.00 25.97 N ATOM 0 H LYS B 63 -17.747 12.049 6.478 1.00 11.73 H new ATOM 0 HA LYS B 63 -15.797 13.541 7.899 1.00 11.97 H new ATOM 0 HB2 LYS B 63 -17.517 13.344 9.734 1.00 13.73 H new ATOM 0 HB3 LYS B 63 -18.144 13.974 8.224 1.00 13.73 H new ATOM 0 HG2 LYS B 63 -18.732 11.425 7.757 1.00 16.98 H new ATOM 0 HG3 LYS B 63 -18.615 11.289 9.500 1.00 16.98 H new ATOM 0 HD2 LYS B 63 -20.353 12.935 9.836 1.00 20.19 H new ATOM 0 HD3 LYS B 63 -20.334 13.396 8.145 1.00 20.19 H new ATOM 0 HE2 LYS B 63 -21.170 11.187 7.481 1.00 23.42 H new ATOM 0 HE3 LYS B 63 -21.061 10.610 9.133 1.00 23.42 H new ATOM 0 HZ1 LYS B 63 -23.315 11.217 8.563 1.00 25.97 H new ATOM 0 HZ2 LYS B 63 -22.729 12.242 9.784 1.00 25.97 H new ATOM 0 HZ3 LYS B 63 -22.835 12.801 8.184 1.00 25.97 H new ATOM 2802 N GLU B 64 -14.742 12.062 9.608 1.00 10.04 N ATOM 2803 CA GLU B 64 -13.956 11.184 10.478 1.00 10.94 C ATOM 2804 C GLU B 64 -13.197 10.108 9.694 1.00 9.74 C ATOM 2805 O GLU B 64 -13.045 8.978 10.163 1.00 9.42 O ATOM 2806 CB GLU B 64 -14.861 10.538 11.532 1.00 18.31 C ATOM 2807 CG GLU B 64 -15.509 11.546 12.468 1.00 24.16 C ATOM 2808 CD GLU B 64 -16.451 10.904 13.463 1.00 29.00 C ATOM 2809 OE1 GLU B 64 -17.577 10.537 13.076 1.00 31.72 O ATOM 2810 OE2 GLU B 64 -16.075 10.777 14.647 1.00 32.61 O ATOM 0 H GLU B 64 -14.479 13.046 9.669 1.00 10.04 H new ATOM 0 HA GLU B 64 -13.208 11.804 10.972 1.00 10.94 H new ATOM 0 HB2 GLU B 64 -15.641 9.966 11.030 1.00 18.31 H new ATOM 0 HB3 GLU B 64 -14.275 9.831 12.120 1.00 18.31 H new ATOM 0 HG2 GLU B 64 -14.731 12.086 13.008 1.00 24.16 H new ATOM 0 HG3 GLU B 64 -16.057 12.282 11.879 1.00 24.16 H new ATOM 2817 N SER B 65 -12.714 10.457 8.510 1.00 6.85 N ATOM 2818 CA SER B 65 -11.959 9.513 7.696 1.00 6.90 C ATOM 2819 C SER B 65 -10.488 9.516 8.102 1.00 4.72 C ATOM 2820 O SER B 65 -9.993 10.495 8.668 1.00 3.91 O ATOM 2821 CB SER B 65 -12.095 9.848 6.212 1.00 7.28 C ATOM 2822 OG SER B 65 -13.441 9.734 5.789 1.00 10.56 O ATOM 0 H SER B 65 -12.830 11.381 8.093 1.00 6.85 H new ATOM 0 HA SER B 65 -12.368 8.517 7.864 1.00 6.90 H new ATOM 0 HB2 SER B 65 -11.737 10.861 6.030 1.00 7.28 H new ATOM 0 HB3 SER B 65 -11.467 9.178 5.625 1.00 7.28 H new ATOM 0 HG SER B 65 -13.784 10.619 5.546 1.00 10.56 H new ATOM 2828 N THR B 66 -9.798 8.426 7.808 1.00 4.48 N ATOM 2829 CA THR B 66 -8.391 8.297 8.150 1.00 3.80 C ATOM 2830 C THR B 66 -7.506 8.600 6.949 1.00 4.60 C ATOM 2831 O THR B 66 -7.467 7.841 5.984 1.00 5.33 O ATOM 2832 CB THR B 66 -8.068 6.879 8.663 1.00 2.85 C ATOM 2833 OG1 THR B 66 -9.172 6.368 9.425 1.00 2.15 O ATOM 2834 CG2 THR B 66 -6.817 6.888 9.531 1.00 3.40 C ATOM 0 H THR B 66 -10.192 7.615 7.331 1.00 4.48 H new ATOM 0 HA THR B 66 -8.189 9.019 8.941 1.00 3.80 H new ATOM 0 HB THR B 66 -7.891 6.239 7.799 1.00 2.85 H new ATOM 0 HG1 THR B 66 -8.959 5.467 9.745 1.00 2.15 H new ATOM 0 HG21 THR B 66 -6.610 5.877 9.881 1.00 3.40 H new ATOM 0 HG22 THR B 66 -5.971 7.250 8.947 1.00 3.40 H new ATOM 0 HG23 THR B 66 -6.973 7.543 10.388 1.00 3.40 H new ATOM 2842 N LEU B 67 -6.807 9.719 7.014 1.00 4.17 N ATOM 2843 CA LEU B 67 -5.904 10.123 5.952 1.00 3.85 C ATOM 2844 C LEU B 67 -4.486 9.773 6.365 1.00 3.80 C ATOM 2845 O LEU B 67 -4.225 9.538 7.545 1.00 5.54 O ATOM 2846 CB LEU B 67 -6.016 11.624 5.669 1.00 7.18 C ATOM 2847 CG LEU B 67 -7.215 12.043 4.812 1.00 9.67 C ATOM 2848 CD1 LEU B 67 -8.485 12.112 5.648 1.00 8.12 C ATOM 2849 CD2 LEU B 67 -6.944 13.380 4.139 1.00 11.66 C ATOM 0 H LEU B 67 -6.849 10.369 7.799 1.00 4.17 H new ATOM 0 HA LEU B 67 -6.171 9.596 5.036 1.00 3.85 H new ATOM 0 HB2 LEU B 67 -6.068 12.153 6.621 1.00 7.18 H new ATOM 0 HB3 LEU B 67 -5.103 11.952 5.172 1.00 7.18 H new ATOM 0 HG LEU B 67 -7.361 11.288 4.039 1.00 9.67 H new ATOM 0 HD11 LEU B 67 -9.321 12.412 5.016 1.00 8.12 H new ATOM 0 HD12 LEU B 67 -8.690 11.133 6.080 1.00 8.12 H new ATOM 0 HD13 LEU B 67 -8.355 12.841 6.448 1.00 8.12 H new ATOM 0 HD21 LEU B 67 -7.805 13.664 3.534 1.00 11.66 H new ATOM 0 HD22 LEU B 67 -6.768 14.141 4.899 1.00 11.66 H new ATOM 0 HD23 LEU B 67 -6.064 13.294 3.501 1.00 11.66 H new ATOM 2861 N HIS B 68 -3.571 9.731 5.416 1.00 2.94 N ATOM 2862 CA HIS B 68 -2.194 9.388 5.730 1.00 4.17 C ATOM 2863 C HIS B 68 -1.230 10.402 5.147 1.00 5.32 C ATOM 2864 O HIS B 68 -1.341 10.776 3.983 1.00 7.70 O ATOM 2865 CB HIS B 68 -1.877 7.980 5.229 1.00 5.57 C ATOM 2866 CG HIS B 68 -2.560 6.928 6.042 1.00 9.95 C ATOM 2867 ND1 HIS B 68 -3.641 6.198 5.592 1.00 13.74 N ATOM 2868 CD2 HIS B 68 -2.340 6.522 7.311 1.00 12.79 C ATOM 2869 CE1 HIS B 68 -4.057 5.400 6.556 1.00 14.75 C ATOM 2870 NE2 HIS B 68 -3.281 5.574 7.611 1.00 16.30 N ATOM 0 H HIS B 68 -3.751 9.927 4.431 1.00 2.94 H new ATOM 0 HA HIS B 68 -2.073 9.407 6.813 1.00 4.17 H new ATOM 0 HB2 HIS B 68 -2.184 7.889 4.187 1.00 5.57 H new ATOM 0 HB3 HIS B 68 -0.799 7.819 5.259 1.00 5.57 H new ATOM 0 HD1 HIS B 68 -4.053 6.265 4.661 1.00 13.74 H new ATOM 0 HD2 HIS B 68 -1.563 6.880 7.970 1.00 12.79 H new ATOM 0 HE1 HIS B 68 -4.892 4.718 6.493 1.00 14.75 H new ATOM 0 HE2 HIS B 68 -3.368 5.084 8.501 1.00 16.30 H new ATOM 2879 N LEU B 69 -0.298 10.853 5.972 1.00 5.29 N ATOM 2880 CA LEU B 69 0.695 11.826 5.553 1.00 3.97 C ATOM 2881 C LEU B 69 2.091 11.237 5.673 1.00 5.07 C ATOM 2882 O LEU B 69 2.574 10.976 6.775 1.00 4.34 O ATOM 2883 CB LEU B 69 0.590 13.098 6.400 1.00 6.08 C ATOM 2884 CG LEU B 69 1.663 14.158 6.127 1.00 7.37 C ATOM 2885 CD1 LEU B 69 1.552 14.684 4.707 1.00 6.87 C ATOM 2886 CD2 LEU B 69 1.554 15.297 7.129 1.00 9.96 C ATOM 0 H LEU B 69 -0.210 10.557 6.944 1.00 5.29 H new ATOM 0 HA LEU B 69 0.507 12.083 4.511 1.00 3.97 H new ATOM 0 HB2 LEU B 69 -0.390 13.546 6.234 1.00 6.08 H new ATOM 0 HB3 LEU B 69 0.638 12.819 7.453 1.00 6.08 H new ATOM 0 HG LEU B 69 2.641 13.691 6.241 1.00 7.37 H new ATOM 0 HD11 LEU B 69 2.323 15.435 4.536 1.00 6.87 H new ATOM 0 HD12 LEU B 69 1.683 13.862 4.003 1.00 6.87 H new ATOM 0 HD13 LEU B 69 0.570 15.133 4.561 1.00 6.87 H new ATOM 0 HD21 LEU B 69 2.323 16.040 6.920 1.00 9.96 H new ATOM 0 HD22 LEU B 69 0.571 15.760 7.048 1.00 9.96 H new ATOM 0 HD23 LEU B 69 1.690 14.908 8.138 1.00 9.96 H new ATOM 2898 N VAL B 70 2.724 11.015 4.538 1.00 4.29 N ATOM 2899 CA VAL B 70 4.064 10.458 4.511 1.00 6.26 C ATOM 2900 C VAL B 70 5.045 11.462 3.916 1.00 9.22 C ATOM 2901 O VAL B 70 4.805 12.019 2.844 1.00 9.36 O ATOM 2902 CB VAL B 70 4.104 9.137 3.709 1.00 8.69 C ATOM 2903 CG1 VAL B 70 5.535 8.691 3.435 1.00 9.76 C ATOM 2904 CG2 VAL B 70 3.336 8.055 4.452 1.00 8.54 C ATOM 0 H VAL B 70 2.331 11.213 3.618 1.00 4.29 H new ATOM 0 HA VAL B 70 4.357 10.241 5.538 1.00 6.26 H new ATOM 0 HB VAL B 70 3.628 9.312 2.744 1.00 8.69 H new ATOM 0 HG11 VAL B 70 5.524 7.759 2.869 1.00 9.76 H new ATOM 0 HG12 VAL B 70 6.051 9.459 2.859 1.00 9.76 H new ATOM 0 HG13 VAL B 70 6.055 8.535 4.380 1.00 9.76 H new ATOM 0 HG21 VAL B 70 3.369 7.128 3.880 1.00 8.54 H new ATOM 0 HG22 VAL B 70 3.789 7.894 5.431 1.00 8.54 H new ATOM 0 HG23 VAL B 70 2.299 8.366 4.579 1.00 8.54 H new ATOM 2914 N LEU B 71 6.132 11.708 4.630 1.00 12.71 N ATOM 2915 CA LEU B 71 7.150 12.641 4.173 1.00 16.06 C ATOM 2916 C LEU B 71 8.175 11.908 3.319 1.00 18.09 C ATOM 2917 O LEU B 71 8.700 10.869 3.724 1.00 19.26 O ATOM 2918 CB LEU B 71 7.832 13.306 5.371 1.00 17.10 C ATOM 2919 CG LEU B 71 6.876 13.882 6.420 1.00 19.37 C ATOM 2920 CD1 LEU B 71 7.651 14.428 7.609 1.00 17.51 C ATOM 2921 CD2 LEU B 71 6.001 14.967 5.809 1.00 19.57 C ATOM 0 H LEU B 71 6.332 11.273 5.531 1.00 12.71 H new ATOM 0 HA LEU B 71 6.678 13.416 3.569 1.00 16.06 H new ATOM 0 HB2 LEU B 71 8.480 12.574 5.854 1.00 17.10 H new ATOM 0 HB3 LEU B 71 8.474 14.108 5.006 1.00 17.10 H new ATOM 0 HG LEU B 71 6.230 13.078 6.772 1.00 19.37 H new ATOM 0 HD11 LEU B 71 6.954 14.833 8.343 1.00 17.51 H new ATOM 0 HD12 LEU B 71 8.232 13.626 8.064 1.00 17.51 H new ATOM 0 HD13 LEU B 71 8.323 15.218 7.273 1.00 17.51 H new ATOM 0 HD21 LEU B 71 5.329 15.364 6.570 1.00 19.57 H new ATOM 0 HD22 LEU B 71 6.631 15.770 5.427 1.00 19.57 H new ATOM 0 HD23 LEU B 71 5.416 14.545 4.992 1.00 19.57 H new ATOM 2933 N ARG B 72 8.456 12.442 2.138 1.00 21.47 N ATOM 2934 CA ARG B 72 9.407 11.810 1.234 1.00 25.83 C ATOM 2935 C ARG B 72 10.847 12.119 1.631 1.00 27.74 C ATOM 2936 O ARG B 72 11.347 13.222 1.401 1.00 30.65 O ATOM 2937 CB ARG B 72 9.161 12.249 -0.212 1.00 28.49 C ATOM 2938 CG ARG B 72 9.947 11.430 -1.222 1.00 31.79 C ATOM 2939 CD ARG B 72 9.686 11.886 -2.646 1.00 34.05 C ATOM 2940 NE ARG B 72 10.303 10.991 -3.624 1.00 35.08 N ATOM 2941 CZ ARG B 72 10.593 11.338 -4.878 1.00 34.67 C ATOM 2942 NH1 ARG B 72 10.284 12.550 -5.327 1.00 34.97 N ATOM 2943 NH2 ARG B 72 11.187 10.468 -5.691 1.00 35.02 N ATOM 0 H ARG B 72 8.042 13.305 1.785 1.00 21.47 H new ATOM 0 HA ARG B 72 9.255 10.733 1.308 1.00 25.83 H new ATOM 0 HB2 ARG B 72 8.097 12.167 -0.435 1.00 28.49 H new ATOM 0 HB3 ARG B 72 9.429 13.300 -0.317 1.00 28.49 H new ATOM 0 HG2 ARG B 72 11.012 11.510 -1.004 1.00 31.79 H new ATOM 0 HG3 ARG B 72 9.680 10.378 -1.123 1.00 31.79 H new ATOM 0 HD2 ARG B 72 8.611 11.931 -2.822 1.00 34.05 H new ATOM 0 HD3 ARG B 72 10.074 12.896 -2.781 1.00 34.05 H new ATOM 0 HE ARG B 72 10.526 10.041 -3.328 1.00 35.08 H new ATOM 0 HH11 ARG B 72 9.823 13.220 -4.711 1.00 34.97 H new ATOM 0 HH12 ARG B 72 10.508 12.811 -6.287 1.00 34.97 H new ATOM 0 HH21 ARG B 72 11.421 9.534 -5.355 1.00 35.02 H new ATOM 0 HH22 ARG B 72 11.408 10.735 -6.650 1.00 35.02 H new ATOM 2957 N LEU B 73 11.500 11.145 2.244 1.00 28.93 N ATOM 2958 CA LEU B 73 12.888 11.290 2.652 1.00 30.76 C ATOM 2959 C LEU B 73 13.798 10.719 1.571 1.00 32.18 C ATOM 2960 O LEU B 73 14.203 9.557 1.629 1.00 32.31 O ATOM 2961 CB LEU B 73 13.132 10.578 3.985 1.00 30.53 C ATOM 2962 CG LEU B 73 12.471 11.231 5.199 1.00 30.16 C ATOM 2963 CD1 LEU B 73 12.509 10.295 6.396 1.00 29.57 C ATOM 2964 CD2 LEU B 73 13.155 12.548 5.531 1.00 29.11 C ATOM 0 H LEU B 73 11.088 10.240 2.471 1.00 28.93 H new ATOM 0 HA LEU B 73 13.111 12.348 2.786 1.00 30.76 H new ATOM 0 HB2 LEU B 73 12.772 9.552 3.903 1.00 30.53 H new ATOM 0 HB3 LEU B 73 14.207 10.526 4.160 1.00 30.53 H new ATOM 0 HG LEU B 73 11.428 11.434 4.956 1.00 30.16 H new ATOM 0 HD11 LEU B 73 12.034 10.777 7.250 1.00 29.57 H new ATOM 0 HD12 LEU B 73 11.976 9.375 6.156 1.00 29.57 H new ATOM 0 HD13 LEU B 73 13.545 10.060 6.642 1.00 29.57 H new ATOM 0 HD21 LEU B 73 12.673 13.000 6.398 1.00 29.11 H new ATOM 0 HD22 LEU B 73 14.206 12.366 5.755 1.00 29.11 H new ATOM 0 HD23 LEU B 73 13.077 13.223 4.679 1.00 29.11 H new ATOM 2976 N ARG B 74 14.101 11.540 0.578 1.00 33.82 N ATOM 2977 CA ARG B 74 14.943 11.123 -0.534 1.00 35.33 C ATOM 2978 C ARG B 74 16.416 11.172 -0.146 1.00 36.22 C ATOM 2979 O ARG B 74 17.212 10.349 -0.593 1.00 36.70 O ATOM 2980 CB ARG B 74 14.681 12.021 -1.744 1.00 36.91 C ATOM 2981 CG ARG B 74 14.745 11.302 -3.084 1.00 38.62 C ATOM 2982 CD ARG B 74 16.147 11.327 -3.668 1.00 39.75 C ATOM 2983 NE ARG B 74 16.144 11.101 -5.113 1.00 41.13 N ATOM 2984 CZ ARG B 74 16.913 11.768 -5.977 1.00 41.91 C ATOM 2985 NH1 ARG B 74 17.768 12.690 -5.542 1.00 41.93 N ATOM 2986 NH2 ARG B 74 16.827 11.507 -7.279 1.00 42.75 N ATOM 0 H ARG B 74 13.775 12.505 0.519 1.00 33.82 H new ATOM 0 HA ARG B 74 14.696 10.093 -0.792 1.00 35.33 H new ATOM 0 HB2 ARG B 74 13.697 12.477 -1.637 1.00 36.91 H new ATOM 0 HB3 ARG B 74 15.410 12.831 -1.745 1.00 36.91 H new ATOM 0 HG2 ARG B 74 14.421 10.269 -2.959 1.00 38.62 H new ATOM 0 HG3 ARG B 74 14.051 11.771 -3.782 1.00 38.62 H new ATOM 0 HD2 ARG B 74 16.612 12.289 -3.453 1.00 39.75 H new ATOM 0 HD3 ARG B 74 16.755 10.563 -3.183 1.00 39.75 H new ATOM 0 HE ARG B 74 15.515 10.389 -5.484 1.00 41.13 H new ATOM 0 HH11 ARG B 74 17.838 12.890 -4.544 1.00 41.93 H new ATOM 0 HH12 ARG B 74 18.353 13.197 -6.206 1.00 41.93 H new ATOM 0 HH21 ARG B 74 16.175 10.799 -7.615 1.00 42.75 H new ATOM 0 HH22 ARG B 74 17.413 12.015 -7.941 1.00 42.75 H new ATOM 3000 N GLY B 75 16.772 12.141 0.682 1.00 36.31 N ATOM 3001 CA GLY B 75 18.150 12.269 1.116 1.00 36.07 C ATOM 3002 C GLY B 75 18.421 11.479 2.379 1.00 36.16 C ATOM 3003 O GLY B 75 17.646 11.548 3.334 1.00 36.26 O ATOM 0 H GLY B 75 16.134 12.841 1.062 1.00 36.31 H new ATOM 0 HA2 GLY B 75 18.814 11.924 0.323 1.00 36.07 H new ATOM 0 HA3 GLY B 75 18.380 13.320 1.289 1.00 36.07 H new ATOM 3007 N GLY B 76 19.509 10.725 2.389 1.00 36.05 N ATOM 3008 CA GLY B 76 19.844 9.935 3.551 1.00 36.19 C ATOM 3009 C GLY B 76 21.301 9.536 3.564 1.00 36.20 C ATOM 3010 O GLY B 76 21.858 9.275 2.475 1.00 0.00 O ATOM 3011 OXT GLY B 76 21.899 9.493 4.657 1.00 0.00 O ATOM 0 H GLY B 76 20.165 10.647 1.612 1.00 36.05 H new ATOM 0 HA2 GLY B 76 19.616 10.502 4.453 1.00 36.19 H new ATOM 0 HA3 GLY B 76 19.223 9.040 3.572 1.00 36.19 H new