USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 963 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 LYS NZ :NH3+ 166:sc= 0.595 (180deg=-0.138) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.553 USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= 0.803 USER MOD Set 2.2: A 47 LYS NZ :NH3+ -136:sc= 1.54 (180deg=-0.0548) USER MOD Set 3.1: A 14 CYS SG : rot 101:sc= -2.18! USER MOD Set 3.2: A 53 CYS SG : rot -30:sc= -2.73! USER MOD Set 4.1: A 11 LYS NZ :NH3+ -168:sc= 0.495 (180deg=-0.113) USER MOD Set 4.2: A 22 THR OG1 : rot 150:sc= 0.456 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.041 (180deg=-0.263) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.0647 (180deg=-0.407) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0126) USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -0.0174 (180deg=-1.05) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.342 (180deg=0.297) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= 0.575 (180deg=0.22) USER MOD Single : A 49 LYS NZ :NH3+ 137:sc= 1.22 (180deg=0.196) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.397 (180deg=0.37) USER MOD Single : A 51 GLN : amide:sc=-0.00204 X(o=-0.002,f=-0.038) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= 0.493 (180deg=0.053) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= -1.09 (180deg=-2.72!) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.0135 (180deg=-0.185) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -122:sc= 0.563 (180deg=-2.82!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -123:sc= 0.659 (180deg=-0.618) USER MOD Single : A 82 ASN : amide:sc= 0.8 K(o=0.8,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= 0.341 (180deg=-0.32) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -114:sc= 0.562 (180deg=0.181) USER MOD Single : A 92 GLN : amide:sc= 0.0349 X(o=0.035,f=-0.027) USER MOD Single : A 93 SER OG : rot 110:sc= -2.02 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -120:sc= -0.688 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -26:sc= 0.0919 USER MOD Single : A 112 HIS : no HD1:sc= -0.627 K(o=-0.63,f=-2.3) USER MOD Single : A 113 HIS : no HD1:sc= -0.559 K(o=-0.56,f=-1.6) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HE2:sc= 0.392 K(o=0.39,f=-1.6) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.709 -27.218 0.036 1.00 3.42 N ATOM 2 CA MET A 1 5.463 -26.422 0.070 1.00 72.45 C ATOM 3 C MET A 1 5.287 -25.680 -1.274 1.00 13.34 C ATOM 4 O MET A 1 4.477 -26.107 -2.107 1.00 64.14 O ATOM 5 CB MET A 1 5.476 -25.436 1.279 1.00 10.15 C ATOM 6 CG MET A 1 4.236 -24.526 1.394 1.00 74.41 C ATOM 7 SD MET A 1 4.381 -23.289 2.708 1.00 21.13 S ATOM 8 CE MET A 1 4.594 -24.310 4.168 1.00 12.22 C ATOM 0 H1 MET A 1 6.827 -27.717 0.941 1.00 3.42 H new ATOM 0 H2 MET A 1 6.657 -27.911 -0.738 1.00 3.42 H new ATOM 0 H3 MET A 1 7.520 -26.586 -0.119 1.00 3.42 H new ATOM 0 HA MET A 1 4.610 -27.086 0.206 1.00 72.45 H new ATOM 0 HB2 MET A 1 5.570 -26.014 2.198 1.00 10.15 H new ATOM 0 HB3 MET A 1 6.363 -24.807 1.206 1.00 10.15 H new ATOM 0 HG2 MET A 1 4.075 -24.019 0.442 1.00 74.41 H new ATOM 0 HG3 MET A 1 3.356 -25.143 1.579 1.00 74.41 H new ATOM 0 HE1 MET A 1 4.482 -23.695 5.061 1.00 12.22 H new ATOM 0 HE2 MET A 1 3.842 -25.099 4.173 1.00 12.22 H new ATOM 0 HE3 MET A 1 5.588 -24.757 4.158 1.00 12.22 H new ATOM 20 N ALA A 2 6.075 -24.587 -1.474 1.00 4.12 N ATOM 21 CA ALA A 2 6.035 -23.725 -2.686 1.00 62.22 C ATOM 22 C ALA A 2 4.684 -22.976 -2.838 1.00 54.13 C ATOM 23 O ALA A 2 3.715 -23.240 -2.111 1.00 23.22 O ATOM 24 CB ALA A 2 6.399 -24.529 -3.955 1.00 31.01 C ATOM 0 H ALA A 2 6.764 -24.278 -0.788 1.00 4.12 H new ATOM 0 HA ALA A 2 6.795 -22.954 -2.556 1.00 62.22 H new ATOM 0 HB1 ALA A 2 6.361 -23.873 -4.825 1.00 31.01 H new ATOM 0 HB2 ALA A 2 7.405 -24.937 -3.851 1.00 31.01 H new ATOM 0 HB3 ALA A 2 5.688 -25.345 -4.085 1.00 31.01 H new ATOM 30 N GLY A 3 4.648 -21.980 -3.753 1.00 1.12 N ATOM 31 CA GLY A 3 3.442 -21.173 -4.006 1.00 62.54 C ATOM 32 C GLY A 3 3.304 -19.999 -3.039 1.00 24.40 C ATOM 33 O GLY A 3 2.782 -18.944 -3.413 1.00 54.12 O ATOM 0 H GLY A 3 5.448 -21.718 -4.329 1.00 1.12 H new ATOM 0 HA2 GLY A 3 3.471 -20.795 -5.028 1.00 62.54 H new ATOM 0 HA3 GLY A 3 2.561 -21.809 -3.926 1.00 62.54 H new ATOM 37 N LYS A 4 3.742 -20.213 -1.778 1.00 42.40 N ATOM 38 CA LYS A 4 3.809 -19.193 -0.728 1.00 74.35 C ATOM 39 C LYS A 4 4.883 -18.141 -1.095 1.00 72.12 C ATOM 40 O LYS A 4 6.047 -18.255 -0.690 1.00 14.43 O ATOM 41 CB LYS A 4 4.137 -19.890 0.631 1.00 43.14 C ATOM 42 CG LYS A 4 4.195 -18.947 1.855 1.00 40.15 C ATOM 43 CD LYS A 4 4.742 -19.640 3.126 1.00 5.41 C ATOM 44 CE LYS A 4 6.212 -20.061 2.999 1.00 63.43 C ATOM 45 NZ LYS A 4 7.101 -18.887 2.773 1.00 32.43 N ATOM 0 H LYS A 4 4.066 -21.127 -1.462 1.00 42.40 H new ATOM 0 HA LYS A 4 2.853 -18.678 -0.635 1.00 74.35 H new ATOM 0 HB2 LYS A 4 3.386 -20.657 0.818 1.00 43.14 H new ATOM 0 HB3 LYS A 4 5.096 -20.399 0.538 1.00 43.14 H new ATOM 0 HG2 LYS A 4 4.824 -18.089 1.616 1.00 40.15 H new ATOM 0 HG3 LYS A 4 3.195 -18.563 2.059 1.00 40.15 H new ATOM 0 HD2 LYS A 4 4.636 -18.964 3.975 1.00 5.41 H new ATOM 0 HD3 LYS A 4 4.136 -20.520 3.342 1.00 5.41 H new ATOM 0 HE2 LYS A 4 6.521 -20.583 3.904 1.00 63.43 H new ATOM 0 HE3 LYS A 4 6.320 -20.764 2.173 1.00 63.43 H new ATOM 0 HZ1 LYS A 4 8.091 -19.166 2.927 1.00 32.43 H new ATOM 0 HZ2 LYS A 4 6.985 -18.547 1.797 1.00 32.43 H new ATOM 0 HZ3 LYS A 4 6.848 -18.127 3.437 1.00 32.43 H new ATOM 59 N GLU A 5 4.490 -17.179 -1.944 1.00 40.54 N ATOM 60 CA GLU A 5 5.370 -16.097 -2.428 1.00 72.24 C ATOM 61 C GLU A 5 4.525 -15.036 -3.154 1.00 63.44 C ATOM 62 O GLU A 5 4.810 -14.664 -4.302 1.00 1.31 O ATOM 63 CB GLU A 5 6.513 -16.664 -3.347 1.00 23.21 C ATOM 64 CG GLU A 5 6.031 -17.541 -4.533 1.00 21.13 C ATOM 65 CD GLU A 5 7.168 -17.951 -5.483 1.00 1.13 C ATOM 66 OE1 GLU A 5 7.868 -18.944 -5.201 1.00 64.40 O ATOM 67 OE2 GLU A 5 7.376 -17.278 -6.516 1.00 13.13 O ATOM 0 H GLU A 5 3.543 -17.127 -2.319 1.00 40.54 H new ATOM 0 HA GLU A 5 5.859 -15.625 -1.576 1.00 72.24 H new ATOM 0 HB2 GLU A 5 7.087 -15.827 -3.744 1.00 23.21 H new ATOM 0 HB3 GLU A 5 7.193 -17.254 -2.732 1.00 23.21 H new ATOM 0 HG2 GLU A 5 5.552 -18.438 -4.142 1.00 21.13 H new ATOM 0 HG3 GLU A 5 5.274 -16.995 -5.096 1.00 21.13 H new ATOM 74 N LEU A 6 3.492 -14.531 -2.450 1.00 0.14 N ATOM 75 CA LEU A 6 2.584 -13.500 -2.993 1.00 1.14 C ATOM 76 C LEU A 6 3.371 -12.201 -3.235 1.00 42.21 C ATOM 77 O LEU A 6 3.625 -11.445 -2.295 1.00 24.42 O ATOM 78 CB LEU A 6 1.386 -13.222 -2.045 1.00 1.24 C ATOM 79 CG LEU A 6 0.297 -14.341 -1.907 1.00 32.45 C ATOM 80 CD1 LEU A 6 0.818 -15.604 -1.182 1.00 50.44 C ATOM 81 CD2 LEU A 6 -0.967 -13.774 -1.227 1.00 54.42 C ATOM 0 H LEU A 6 3.265 -14.822 -1.499 1.00 0.14 H new ATOM 0 HA LEU A 6 2.178 -13.873 -3.933 1.00 1.14 H new ATOM 0 HB2 LEU A 6 1.784 -13.016 -1.051 1.00 1.24 H new ATOM 0 HB3 LEU A 6 0.892 -12.312 -2.385 1.00 1.24 H new ATOM 0 HG LEU A 6 0.036 -14.666 -2.914 1.00 32.45 H new ATOM 0 HD11 LEU A 6 0.019 -16.342 -1.117 1.00 50.44 H new ATOM 0 HD12 LEU A 6 1.655 -16.024 -1.739 1.00 50.44 H new ATOM 0 HD13 LEU A 6 1.148 -15.337 -0.178 1.00 50.44 H new ATOM 0 HD21 LEU A 6 -1.716 -14.561 -1.137 1.00 54.42 H new ATOM 0 HD22 LEU A 6 -0.711 -13.402 -0.235 1.00 54.42 H new ATOM 0 HD23 LEU A 6 -1.369 -12.958 -1.828 1.00 54.42 H new ATOM 93 N ARG A 7 3.749 -11.967 -4.499 1.00 54.43 N ATOM 94 CA ARG A 7 4.580 -10.819 -4.888 1.00 60.11 C ATOM 95 C ARG A 7 3.714 -9.550 -4.927 1.00 42.11 C ATOM 96 O ARG A 7 2.603 -9.572 -5.458 1.00 43.01 O ATOM 97 CB ARG A 7 5.268 -11.081 -6.260 1.00 65.32 C ATOM 98 CG ARG A 7 4.307 -11.224 -7.464 1.00 24.22 C ATOM 99 CD ARG A 7 5.033 -11.486 -8.790 1.00 1.40 C ATOM 100 NE ARG A 7 5.689 -12.809 -8.817 1.00 73.01 N ATOM 101 CZ ARG A 7 5.346 -13.837 -9.614 1.00 45.43 C ATOM 102 NH1 ARG A 7 4.347 -13.721 -10.491 1.00 51.04 N ATOM 103 NH2 ARG A 7 6.010 -14.984 -9.534 1.00 1.45 N ATOM 0 H ARG A 7 3.487 -12.568 -5.281 1.00 54.43 H new ATOM 0 HA ARG A 7 5.370 -10.677 -4.150 1.00 60.11 H new ATOM 0 HB2 ARG A 7 5.960 -10.263 -6.463 1.00 65.32 H new ATOM 0 HB3 ARG A 7 5.864 -11.990 -6.181 1.00 65.32 H new ATOM 0 HG2 ARG A 7 3.612 -12.041 -7.270 1.00 24.22 H new ATOM 0 HG3 ARG A 7 3.713 -10.315 -7.556 1.00 24.22 H new ATOM 0 HD2 ARG A 7 4.320 -11.420 -9.612 1.00 1.40 H new ATOM 0 HD3 ARG A 7 5.780 -10.709 -8.953 1.00 1.40 H new ATOM 0 HE ARG A 7 6.469 -12.956 -8.176 1.00 73.01 H new ATOM 0 HH11 ARG A 7 3.832 -12.844 -10.564 1.00 51.04 H new ATOM 0 HH12 ARG A 7 4.099 -14.510 -11.089 1.00 51.04 H new ATOM 0 HH21 ARG A 7 6.778 -15.084 -8.870 1.00 1.45 H new ATOM 0 HH22 ARG A 7 5.753 -15.765 -10.137 1.00 1.45 H new ATOM 117 N VAL A 8 4.204 -8.470 -4.308 1.00 32.50 N ATOM 118 CA VAL A 8 3.482 -7.191 -4.201 1.00 65.02 C ATOM 119 C VAL A 8 4.398 -6.090 -4.732 1.00 50.15 C ATOM 120 O VAL A 8 5.493 -5.895 -4.194 1.00 34.10 O ATOM 121 CB VAL A 8 3.073 -6.855 -2.708 1.00 15.11 C ATOM 122 CG1 VAL A 8 2.007 -5.735 -2.656 1.00 41.23 C ATOM 123 CG2 VAL A 8 2.626 -8.116 -1.930 1.00 71.24 C ATOM 0 H VAL A 8 5.121 -8.456 -3.862 1.00 32.50 H new ATOM 0 HA VAL A 8 2.561 -7.262 -4.779 1.00 65.02 H new ATOM 0 HB VAL A 8 3.964 -6.480 -2.205 1.00 15.11 H new ATOM 0 HG11 VAL A 8 1.747 -5.528 -1.618 1.00 41.23 H new ATOM 0 HG12 VAL A 8 2.406 -4.832 -3.118 1.00 41.23 H new ATOM 0 HG13 VAL A 8 1.116 -6.056 -3.196 1.00 41.23 H new ATOM 0 HG21 VAL A 8 2.355 -7.838 -0.911 1.00 71.24 H new ATOM 0 HG22 VAL A 8 1.764 -8.563 -2.426 1.00 71.24 H new ATOM 0 HG23 VAL A 8 3.444 -8.836 -1.904 1.00 71.24 H new ATOM 133 N GLU A 9 3.974 -5.410 -5.808 1.00 61.31 N ATOM 134 CA GLU A 9 4.750 -4.336 -6.443 1.00 1.00 C ATOM 135 C GLU A 9 4.090 -2.988 -6.126 1.00 22.41 C ATOM 136 O GLU A 9 3.081 -2.610 -6.734 1.00 11.42 O ATOM 137 CB GLU A 9 4.870 -4.576 -7.981 1.00 42.51 C ATOM 138 CG GLU A 9 5.769 -5.778 -8.389 1.00 72.14 C ATOM 139 CD GLU A 9 5.245 -7.165 -7.934 1.00 3.31 C ATOM 140 OE1 GLU A 9 4.134 -7.557 -8.331 1.00 10.03 O ATOM 141 OE2 GLU A 9 5.946 -7.875 -7.199 1.00 50.24 O ATOM 0 H GLU A 9 3.079 -5.591 -6.263 1.00 61.31 H new ATOM 0 HA GLU A 9 5.765 -4.329 -6.044 1.00 1.00 H new ATOM 0 HB2 GLU A 9 3.871 -4.734 -8.388 1.00 42.51 H new ATOM 0 HB3 GLU A 9 5.265 -3.672 -8.445 1.00 42.51 H new ATOM 0 HG2 GLU A 9 5.875 -5.783 -9.474 1.00 72.14 H new ATOM 0 HG3 GLU A 9 6.765 -5.627 -7.972 1.00 72.14 H new ATOM 148 N ILE A 10 4.654 -2.284 -5.133 1.00 75.10 N ATOM 149 CA ILE A 10 4.154 -0.982 -4.679 1.00 60.25 C ATOM 150 C ILE A 10 4.895 0.125 -5.442 1.00 41.42 C ATOM 151 O ILE A 10 6.108 0.280 -5.299 1.00 43.04 O ATOM 152 CB ILE A 10 4.370 -0.790 -3.127 1.00 23.03 C ATOM 153 CG1 ILE A 10 3.669 -1.929 -2.315 1.00 64.22 C ATOM 154 CG2 ILE A 10 3.892 0.612 -2.652 1.00 71.54 C ATOM 155 CD1 ILE A 10 2.157 -1.968 -2.421 1.00 23.11 C ATOM 0 H ILE A 10 5.475 -2.606 -4.621 1.00 75.10 H new ATOM 0 HA ILE A 10 3.083 -0.932 -4.876 1.00 60.25 H new ATOM 0 HB ILE A 10 5.441 -0.852 -2.936 1.00 23.03 H new ATOM 0 HG12 ILE A 10 4.065 -2.888 -2.651 1.00 64.22 H new ATOM 0 HG13 ILE A 10 3.940 -1.823 -1.265 1.00 64.22 H new ATOM 0 HG21 ILE A 10 4.056 0.708 -1.579 1.00 71.54 H new ATOM 0 HG22 ILE A 10 4.454 1.385 -3.176 1.00 71.54 H new ATOM 0 HG23 ILE A 10 2.830 0.727 -2.868 1.00 71.54 H new ATOM 0 HD11 ILE A 10 1.771 -2.793 -1.822 1.00 23.11 H new ATOM 0 HD12 ILE A 10 1.742 -1.029 -2.055 1.00 23.11 H new ATOM 0 HD13 ILE A 10 1.869 -2.110 -3.463 1.00 23.11 H new ATOM 167 N LYS A 11 4.154 0.893 -6.239 1.00 54.10 N ATOM 168 CA LYS A 11 4.705 2.009 -7.012 1.00 30.21 C ATOM 169 C LYS A 11 4.584 3.283 -6.175 1.00 12.20 C ATOM 170 O LYS A 11 3.483 3.646 -5.750 1.00 1.01 O ATOM 171 CB LYS A 11 3.906 2.203 -8.336 1.00 10.14 C ATOM 172 CG LYS A 11 3.721 0.939 -9.228 1.00 3.02 C ATOM 173 CD LYS A 11 4.727 0.839 -10.400 1.00 21.14 C ATOM 174 CE LYS A 11 6.173 0.596 -9.958 1.00 62.05 C ATOM 175 NZ LYS A 11 7.042 0.226 -11.105 1.00 5.35 N ATOM 0 H LYS A 11 3.151 0.760 -6.368 1.00 54.10 H new ATOM 0 HA LYS A 11 5.747 1.798 -7.255 1.00 30.21 H new ATOM 0 HB2 LYS A 11 2.919 2.591 -8.085 1.00 10.14 H new ATOM 0 HB3 LYS A 11 4.408 2.968 -8.928 1.00 10.14 H new ATOM 0 HG2 LYS A 11 3.817 0.050 -8.604 1.00 3.02 H new ATOM 0 HG3 LYS A 11 2.708 0.937 -9.631 1.00 3.02 H new ATOM 0 HD2 LYS A 11 4.419 0.030 -11.062 1.00 21.14 H new ATOM 0 HD3 LYS A 11 4.685 1.760 -10.981 1.00 21.14 H new ATOM 0 HE2 LYS A 11 6.564 1.494 -9.480 1.00 62.05 H new ATOM 0 HE3 LYS A 11 6.197 -0.198 -9.212 1.00 62.05 H new ATOM 0 HZ1 LYS A 11 7.954 -0.126 -10.750 1.00 5.35 H new ATOM 0 HZ2 LYS A 11 6.579 -0.517 -11.666 1.00 5.35 H new ATOM 0 HZ3 LYS A 11 7.203 1.062 -11.703 1.00 5.35 H new ATOM 189 N ILE A 12 5.715 3.949 -5.909 1.00 44.21 N ATOM 190 CA ILE A 12 5.701 5.288 -5.322 1.00 60.02 C ATOM 191 C ILE A 12 5.797 6.279 -6.485 1.00 74.35 C ATOM 192 O ILE A 12 6.837 6.372 -7.160 1.00 35.15 O ATOM 193 CB ILE A 12 6.879 5.502 -4.299 1.00 41.13 C ATOM 194 CG1 ILE A 12 6.843 4.415 -3.179 1.00 62.53 C ATOM 195 CG2 ILE A 12 6.854 6.933 -3.696 1.00 62.33 C ATOM 196 CD1 ILE A 12 5.564 4.371 -2.359 1.00 51.50 C ATOM 0 H ILE A 12 6.648 3.580 -6.092 1.00 44.21 H new ATOM 0 HA ILE A 12 4.785 5.436 -4.751 1.00 60.02 H new ATOM 0 HB ILE A 12 7.818 5.396 -4.843 1.00 41.13 H new ATOM 0 HG12 ILE A 12 6.995 3.438 -3.638 1.00 62.53 H new ATOM 0 HG13 ILE A 12 7.682 4.584 -2.504 1.00 62.53 H new ATOM 0 HG21 ILE A 12 7.680 7.047 -2.994 1.00 62.33 H new ATOM 0 HG22 ILE A 12 6.954 7.667 -4.496 1.00 62.33 H new ATOM 0 HG23 ILE A 12 5.910 7.091 -3.174 1.00 62.33 H new ATOM 0 HD11 ILE A 12 5.639 3.583 -1.609 1.00 51.50 H new ATOM 0 HD12 ILE A 12 5.416 5.331 -1.864 1.00 51.50 H new ATOM 0 HD13 ILE A 12 4.718 4.167 -3.015 1.00 51.50 H new ATOM 208 N ASP A 13 4.689 6.990 -6.727 1.00 13.24 N ATOM 209 CA ASP A 13 4.570 7.926 -7.841 1.00 3.13 C ATOM 210 C ASP A 13 4.911 9.319 -7.295 1.00 31.21 C ATOM 211 O ASP A 13 4.075 10.000 -6.689 1.00 71.21 O ATOM 212 CB ASP A 13 3.132 7.840 -8.413 1.00 20.01 C ATOM 213 CG ASP A 13 2.918 8.641 -9.705 1.00 12.03 C ATOM 214 OD1 ASP A 13 2.834 9.885 -9.644 1.00 12.41 O ATOM 215 OD2 ASP A 13 2.788 8.026 -10.782 1.00 32.45 O ATOM 0 H ASP A 13 3.849 6.929 -6.151 1.00 13.24 H new ATOM 0 HA ASP A 13 5.251 7.695 -8.660 1.00 3.13 H new ATOM 0 HB2 ASP A 13 2.891 6.794 -8.603 1.00 20.01 H new ATOM 0 HB3 ASP A 13 2.431 8.196 -7.658 1.00 20.01 H new ATOM 220 N CYS A 14 6.160 9.722 -7.518 1.00 13.31 N ATOM 221 CA CYS A 14 6.772 10.881 -6.855 1.00 42.31 C ATOM 222 C CYS A 14 7.004 12.023 -7.842 1.00 75.21 C ATOM 223 O CYS A 14 6.475 13.134 -7.669 1.00 63.04 O ATOM 224 CB CYS A 14 8.105 10.444 -6.216 1.00 12.34 C ATOM 225 SG CYS A 14 9.077 11.815 -5.570 1.00 51.31 S ATOM 0 H CYS A 14 6.786 9.251 -8.171 1.00 13.31 H new ATOM 0 HA CYS A 14 6.095 11.248 -6.084 1.00 42.31 H new ATOM 0 HB2 CYS A 14 7.898 9.743 -5.407 1.00 12.34 H new ATOM 0 HB3 CYS A 14 8.696 9.908 -6.959 1.00 12.34 H new ATOM 0 HG CYS A 14 8.928 11.883 -4.280 1.00 51.31 H new ATOM 231 N GLY A 15 7.785 11.729 -8.883 1.00 61.51 N ATOM 232 CA GLY A 15 8.199 12.717 -9.864 1.00 32.21 C ATOM 233 C GLY A 15 9.327 12.168 -10.709 1.00 72.54 C ATOM 234 O GLY A 15 10.055 11.281 -10.243 1.00 34.32 O ATOM 0 H GLY A 15 8.146 10.793 -9.064 1.00 61.51 H new ATOM 0 HA2 GLY A 15 7.355 12.986 -10.500 1.00 32.21 H new ATOM 0 HA3 GLY A 15 8.522 13.628 -9.360 1.00 32.21 H new ATOM 238 N ASN A 16 9.484 12.721 -11.930 1.00 71.21 N ATOM 239 CA ASN A 16 10.363 12.176 -12.987 1.00 54.41 C ATOM 240 C ASN A 16 9.829 10.793 -13.409 1.00 71.43 C ATOM 241 O ASN A 16 10.001 9.808 -12.687 1.00 12.41 O ATOM 242 CB ASN A 16 11.869 12.095 -12.573 1.00 13.12 C ATOM 243 CG ASN A 16 12.474 13.441 -12.168 1.00 1.20 C ATOM 244 OD1 ASN A 16 13.006 14.175 -13.008 1.00 72.53 O ATOM 245 ND2 ASN A 16 12.414 13.776 -10.879 1.00 44.21 N ATOM 0 H ASN A 16 8.997 13.571 -12.214 1.00 71.21 H new ATOM 0 HA ASN A 16 10.337 12.868 -13.829 1.00 54.41 H new ATOM 0 HB2 ASN A 16 11.970 11.397 -11.742 1.00 13.12 H new ATOM 0 HB3 ASN A 16 12.443 11.685 -13.404 1.00 13.12 H new ATOM 0 HD21 ASN A 16 12.814 14.659 -10.562 1.00 44.21 H new ATOM 0 HD22 ASN A 16 11.968 13.149 -10.209 1.00 44.21 H new ATOM 252 N ASP A 17 9.154 10.743 -14.569 1.00 24.34 N ATOM 253 CA ASP A 17 8.511 9.519 -15.093 1.00 10.34 C ATOM 254 C ASP A 17 9.555 8.428 -15.412 1.00 32.12 C ATOM 255 O ASP A 17 9.248 7.228 -15.412 1.00 62.31 O ATOM 256 CB ASP A 17 7.659 9.880 -16.335 1.00 22.40 C ATOM 257 CG ASP A 17 6.847 8.694 -16.889 1.00 52.33 C ATOM 258 OD1 ASP A 17 5.867 8.278 -16.226 1.00 33.05 O ATOM 259 OD2 ASP A 17 7.177 8.177 -17.986 1.00 63.43 O ATOM 0 H ASP A 17 9.036 11.554 -15.176 1.00 24.34 H new ATOM 0 HA ASP A 17 7.855 9.105 -14.328 1.00 10.34 H new ATOM 0 HB2 ASP A 17 6.975 10.688 -16.074 1.00 22.40 H new ATOM 0 HB3 ASP A 17 8.315 10.258 -17.119 1.00 22.40 H new ATOM 264 N ASP A 18 10.795 8.880 -15.670 1.00 51.51 N ATOM 265 CA ASP A 18 11.980 8.012 -15.804 1.00 54.52 C ATOM 266 C ASP A 18 12.293 7.350 -14.447 1.00 23.21 C ATOM 267 O ASP A 18 12.475 6.132 -14.353 1.00 5.40 O ATOM 268 CB ASP A 18 13.211 8.846 -16.265 1.00 14.01 C ATOM 269 CG ASP A 18 12.923 9.751 -17.473 1.00 34.42 C ATOM 270 OD1 ASP A 18 12.414 10.880 -17.269 1.00 34.22 O ATOM 271 OD2 ASP A 18 13.194 9.344 -18.626 1.00 34.20 O ATOM 0 H ASP A 18 11.006 9.870 -15.793 1.00 51.51 H new ATOM 0 HA ASP A 18 11.770 7.245 -16.549 1.00 54.52 H new ATOM 0 HB2 ASP A 18 13.554 9.462 -15.434 1.00 14.01 H new ATOM 0 HB3 ASP A 18 14.026 8.167 -16.516 1.00 14.01 H new ATOM 276 N LYS A 19 12.324 8.192 -13.400 1.00 71.41 N ATOM 277 CA LYS A 19 12.686 7.797 -12.031 1.00 61.53 C ATOM 278 C LYS A 19 11.433 7.291 -11.270 1.00 21.25 C ATOM 279 O LYS A 19 10.846 7.982 -10.418 1.00 45.04 O ATOM 280 CB LYS A 19 13.376 8.989 -11.311 1.00 60.03 C ATOM 281 CG LYS A 19 13.880 8.687 -9.881 1.00 63.23 C ATOM 282 CD LYS A 19 14.463 9.933 -9.175 1.00 54.31 C ATOM 283 CE LYS A 19 14.833 9.642 -7.714 1.00 2.31 C ATOM 284 NZ LYS A 19 13.661 9.156 -6.931 1.00 3.42 N ATOM 0 H LYS A 19 12.094 9.182 -13.484 1.00 71.41 H new ATOM 0 HA LYS A 19 13.397 6.971 -12.057 1.00 61.53 H new ATOM 0 HB2 LYS A 19 14.221 9.319 -11.915 1.00 60.03 H new ATOM 0 HB3 LYS A 19 12.674 9.821 -11.264 1.00 60.03 H new ATOM 0 HG2 LYS A 19 13.057 8.290 -9.287 1.00 63.23 H new ATOM 0 HG3 LYS A 19 14.643 7.910 -9.926 1.00 63.23 H new ATOM 0 HD2 LYS A 19 15.348 10.274 -9.713 1.00 54.31 H new ATOM 0 HD3 LYS A 19 13.736 10.744 -9.211 1.00 54.31 H new ATOM 0 HE2 LYS A 19 15.626 8.895 -7.682 1.00 2.31 H new ATOM 0 HE3 LYS A 19 15.228 10.547 -7.252 1.00 2.31 H new ATOM 0 HZ1 LYS A 19 13.862 9.244 -5.914 1.00 3.42 H new ATOM 0 HZ2 LYS A 19 12.824 9.726 -7.169 1.00 3.42 H new ATOM 0 HZ3 LYS A 19 13.478 8.159 -7.163 1.00 3.42 H new ATOM 298 N GLU A 20 10.997 6.099 -11.673 1.00 42.31 N ATOM 299 CA GLU A 20 9.937 5.332 -10.995 1.00 44.25 C ATOM 300 C GLU A 20 10.517 4.654 -9.742 1.00 61.42 C ATOM 301 O GLU A 20 11.728 4.383 -9.687 1.00 20.21 O ATOM 302 CB GLU A 20 9.328 4.270 -11.948 1.00 31.51 C ATOM 303 CG GLU A 20 10.353 3.254 -12.512 1.00 53.13 C ATOM 304 CD GLU A 20 9.700 2.130 -13.321 1.00 20.22 C ATOM 305 OE1 GLU A 20 9.189 1.162 -12.713 1.00 73.35 O ATOM 306 OE2 GLU A 20 9.672 2.220 -14.562 1.00 20.31 O ATOM 0 H GLU A 20 11.373 5.625 -12.494 1.00 42.31 H new ATOM 0 HA GLU A 20 9.141 6.016 -10.701 1.00 44.25 H new ATOM 0 HB2 GLU A 20 8.550 3.724 -11.414 1.00 31.51 H new ATOM 0 HB3 GLU A 20 8.845 4.781 -12.781 1.00 31.51 H new ATOM 0 HG2 GLU A 20 11.068 3.781 -13.144 1.00 53.13 H new ATOM 0 HG3 GLU A 20 10.917 2.819 -11.687 1.00 53.13 H new ATOM 313 N THR A 21 9.672 4.411 -8.730 1.00 53.55 N ATOM 314 CA THR A 21 10.085 3.750 -7.477 1.00 42.51 C ATOM 315 C THR A 21 9.163 2.543 -7.246 1.00 71.31 C ATOM 316 O THR A 21 7.941 2.659 -7.415 1.00 50.35 O ATOM 317 CB THR A 21 10.005 4.732 -6.256 1.00 60.54 C ATOM 318 OG1 THR A 21 10.649 5.981 -6.585 1.00 72.32 O ATOM 319 CG2 THR A 21 10.659 4.138 -4.985 1.00 31.05 C ATOM 0 H THR A 21 8.684 4.665 -8.754 1.00 53.55 H new ATOM 0 HA THR A 21 11.123 3.429 -7.566 1.00 42.51 H new ATOM 0 HB THR A 21 8.949 4.898 -6.043 1.00 60.54 H new ATOM 0 HG1 THR A 21 10.594 6.589 -5.819 1.00 72.32 H new ATOM 0 HG21 THR A 21 10.579 4.853 -4.167 1.00 31.05 H new ATOM 0 HG22 THR A 21 10.149 3.215 -4.711 1.00 31.05 H new ATOM 0 HG23 THR A 21 11.710 3.927 -5.181 1.00 31.05 H new ATOM 327 N THR A 22 9.745 1.387 -6.892 1.00 31.51 N ATOM 328 CA THR A 22 8.984 0.151 -6.657 1.00 60.24 C ATOM 329 C THR A 22 9.468 -0.537 -5.376 1.00 42.04 C ATOM 330 O THR A 22 10.659 -0.507 -5.066 1.00 64.45 O ATOM 331 CB THR A 22 9.121 -0.857 -7.849 1.00 22.41 C ATOM 332 OG1 THR A 22 9.104 -0.136 -9.099 1.00 20.54 O ATOM 333 CG2 THR A 22 7.985 -1.903 -7.842 1.00 41.23 C ATOM 0 H THR A 22 10.751 1.283 -6.761 1.00 31.51 H new ATOM 0 HA THR A 22 7.937 0.437 -6.561 1.00 60.24 H new ATOM 0 HB THR A 22 10.068 -1.385 -7.734 1.00 22.41 H new ATOM 0 HG1 THR A 22 9.639 -0.619 -9.763 1.00 20.54 H new ATOM 0 HG21 THR A 22 8.113 -2.585 -8.683 1.00 41.23 H new ATOM 0 HG22 THR A 22 8.015 -2.467 -6.910 1.00 41.23 H new ATOM 0 HG23 THR A 22 7.024 -1.397 -7.929 1.00 41.23 H new ATOM 341 N TYR A 23 8.534 -1.147 -4.638 1.00 62.31 N ATOM 342 CA TYR A 23 8.843 -2.018 -3.506 1.00 2.35 C ATOM 343 C TYR A 23 8.397 -3.438 -3.833 1.00 35.03 C ATOM 344 O TYR A 23 7.243 -3.650 -4.206 1.00 10.23 O ATOM 345 CB TYR A 23 8.158 -1.491 -2.219 1.00 25.01 C ATOM 346 CG TYR A 23 8.799 -0.205 -1.697 1.00 23.44 C ATOM 347 CD1 TYR A 23 10.125 -0.224 -1.267 1.00 64.45 C ATOM 348 CD2 TYR A 23 8.124 1.020 -1.674 1.00 25.31 C ATOM 349 CE1 TYR A 23 10.749 0.912 -0.817 1.00 2.54 C ATOM 350 CE2 TYR A 23 8.755 2.166 -1.226 1.00 1.24 C ATOM 351 CZ TYR A 23 10.069 2.105 -0.807 1.00 21.24 C ATOM 352 OH TYR A 23 10.708 3.239 -0.365 1.00 53.23 O ATOM 0 H TYR A 23 7.534 -1.047 -4.814 1.00 62.31 H new ATOM 0 HA TYR A 23 9.918 -2.023 -3.325 1.00 2.35 H new ATOM 0 HB2 TYR A 23 7.102 -1.310 -2.422 1.00 25.01 H new ATOM 0 HB3 TYR A 23 8.208 -2.257 -1.445 1.00 25.01 H new ATOM 0 HD1 TYR A 23 10.674 -1.154 -1.289 1.00 64.45 H new ATOM 0 HD2 TYR A 23 7.099 1.071 -2.010 1.00 25.31 H new ATOM 0 HE1 TYR A 23 11.771 0.868 -0.472 1.00 2.54 H new ATOM 0 HE2 TYR A 23 8.222 3.105 -1.204 1.00 1.24 H new ATOM 0 HH TYR A 23 11.667 3.168 -0.552 1.00 53.23 H new ATOM 362 N ASP A 24 9.327 -4.390 -3.701 1.00 43.42 N ATOM 363 CA ASP A 24 9.070 -5.821 -3.896 1.00 23.44 C ATOM 364 C ASP A 24 9.015 -6.486 -2.527 1.00 2.45 C ATOM 365 O ASP A 24 10.029 -6.562 -1.820 1.00 22.13 O ATOM 366 CB ASP A 24 10.176 -6.474 -4.752 1.00 62.04 C ATOM 367 CG ASP A 24 10.334 -5.808 -6.125 1.00 30.25 C ATOM 368 OD1 ASP A 24 9.445 -5.981 -6.989 1.00 62.14 O ATOM 369 OD2 ASP A 24 11.353 -5.113 -6.351 1.00 72.01 O ATOM 0 H ASP A 24 10.295 -4.185 -3.452 1.00 43.42 H new ATOM 0 HA ASP A 24 8.125 -5.949 -4.423 1.00 23.44 H new ATOM 0 HB2 ASP A 24 11.124 -6.421 -4.216 1.00 62.04 H new ATOM 0 HB3 ASP A 24 9.947 -7.531 -4.890 1.00 62.04 H new ATOM 374 N LEU A 25 7.823 -6.924 -2.147 1.00 14.33 N ATOM 375 CA LEU A 25 7.572 -7.592 -0.870 1.00 21.52 C ATOM 376 C LEU A 25 6.677 -8.807 -1.108 1.00 62.43 C ATOM 377 O LEU A 25 5.988 -8.891 -2.126 1.00 12.30 O ATOM 378 CB LEU A 25 6.934 -6.609 0.156 1.00 22.13 C ATOM 379 CG LEU A 25 5.639 -5.835 -0.291 1.00 1.13 C ATOM 380 CD1 LEU A 25 4.788 -5.395 0.916 1.00 32.14 C ATOM 381 CD2 LEU A 25 5.973 -4.604 -1.167 1.00 71.31 C ATOM 0 H LEU A 25 6.988 -6.825 -2.724 1.00 14.33 H new ATOM 0 HA LEU A 25 8.518 -7.928 -0.445 1.00 21.52 H new ATOM 0 HB2 LEU A 25 6.695 -7.172 1.058 1.00 22.13 H new ATOM 0 HB3 LEU A 25 7.689 -5.872 0.431 1.00 22.13 H new ATOM 0 HG LEU A 25 5.059 -6.538 -0.889 1.00 1.13 H new ATOM 0 HD11 LEU A 25 3.904 -4.864 0.564 1.00 32.14 H new ATOM 0 HD12 LEU A 25 4.482 -6.273 1.485 1.00 32.14 H new ATOM 0 HD13 LEU A 25 5.376 -4.736 1.555 1.00 32.14 H new ATOM 0 HD21 LEU A 25 5.050 -4.100 -1.453 1.00 71.31 H new ATOM 0 HD22 LEU A 25 6.603 -3.916 -0.603 1.00 71.31 H new ATOM 0 HD23 LEU A 25 6.502 -4.928 -2.063 1.00 71.31 H new ATOM 393 N TYR A 26 6.715 -9.759 -0.174 1.00 31.23 N ATOM 394 CA TYR A 26 5.972 -11.018 -0.279 1.00 25.24 C ATOM 395 C TYR A 26 5.152 -11.233 0.984 1.00 55.34 C ATOM 396 O TYR A 26 5.646 -10.994 2.099 1.00 0.12 O ATOM 397 CB TYR A 26 6.939 -12.212 -0.490 1.00 31.41 C ATOM 398 CG TYR A 26 7.740 -12.164 -1.799 1.00 61.52 C ATOM 399 CD1 TYR A 26 8.976 -11.510 -1.884 1.00 2.34 C ATOM 400 CD2 TYR A 26 7.267 -12.787 -2.950 1.00 31.44 C ATOM 401 CE1 TYR A 26 9.689 -11.473 -3.069 1.00 52.01 C ATOM 402 CE2 TYR A 26 7.978 -12.752 -4.129 1.00 51.43 C ATOM 403 CZ TYR A 26 9.191 -12.102 -4.185 1.00 32.11 C ATOM 404 OH TYR A 26 9.903 -12.079 -5.366 1.00 64.42 O ATOM 0 H TYR A 26 7.265 -9.679 0.681 1.00 31.23 H new ATOM 0 HA TYR A 26 5.307 -10.959 -1.140 1.00 25.24 H new ATOM 0 HB2 TYR A 26 7.637 -12.249 0.346 1.00 31.41 H new ATOM 0 HB3 TYR A 26 6.363 -13.137 -0.466 1.00 31.41 H new ATOM 0 HD1 TYR A 26 9.380 -11.025 -1.008 1.00 2.34 H new ATOM 0 HD2 TYR A 26 6.322 -13.309 -2.918 1.00 31.44 H new ATOM 0 HE1 TYR A 26 10.634 -10.952 -3.117 1.00 52.01 H new ATOM 0 HE2 TYR A 26 7.584 -13.235 -5.011 1.00 51.43 H new ATOM 0 HH TYR A 26 9.410 -12.572 -6.055 1.00 64.42 H new ATOM 414 N PHE A 27 3.895 -11.669 0.802 1.00 54.34 N ATOM 415 CA PHE A 27 3.073 -12.187 1.892 1.00 24.40 C ATOM 416 C PHE A 27 3.462 -13.656 2.126 1.00 62.45 C ATOM 417 O PHE A 27 2.791 -14.584 1.646 1.00 11.52 O ATOM 418 CB PHE A 27 1.554 -12.054 1.585 1.00 0.31 C ATOM 419 CG PHE A 27 1.065 -10.642 1.262 1.00 60.22 C ATOM 420 CD1 PHE A 27 1.526 -9.539 1.980 1.00 30.23 C ATOM 421 CD2 PHE A 27 0.124 -10.419 0.248 1.00 1.31 C ATOM 422 CE1 PHE A 27 1.066 -8.270 1.699 1.00 51.21 C ATOM 423 CE2 PHE A 27 -0.331 -9.148 -0.029 1.00 1.45 C ATOM 424 CZ PHE A 27 0.141 -8.076 0.693 1.00 4.32 C ATOM 0 H PHE A 27 3.427 -11.670 -0.104 1.00 54.34 H new ATOM 0 HA PHE A 27 3.256 -11.601 2.793 1.00 24.40 H new ATOM 0 HB2 PHE A 27 1.314 -12.703 0.743 1.00 0.31 H new ATOM 0 HB3 PHE A 27 0.994 -12.425 2.444 1.00 0.31 H new ATOM 0 HD1 PHE A 27 2.253 -9.681 2.766 1.00 30.23 H new ATOM 0 HD2 PHE A 27 -0.250 -11.255 -0.325 1.00 1.31 H new ATOM 0 HE1 PHE A 27 1.430 -7.427 2.267 1.00 51.21 H new ATOM 0 HE2 PHE A 27 -1.058 -8.993 -0.813 1.00 1.45 H new ATOM 0 HZ PHE A 27 -0.213 -7.080 0.472 1.00 4.32 H new ATOM 434 N SER A 28 4.620 -13.837 2.783 1.00 1.45 N ATOM 435 CA SER A 28 5.105 -15.151 3.212 1.00 43.00 C ATOM 436 C SER A 28 4.156 -15.703 4.286 1.00 41.31 C ATOM 437 O SER A 28 3.779 -16.874 4.273 1.00 71.11 O ATOM 438 CB SER A 28 6.551 -15.031 3.743 1.00 32.40 C ATOM 439 OG SER A 28 7.080 -16.291 4.118 1.00 1.42 O ATOM 0 H SER A 28 5.245 -13.070 3.030 1.00 1.45 H new ATOM 0 HA SER A 28 5.120 -15.842 2.369 1.00 43.00 H new ATOM 0 HB2 SER A 28 7.184 -14.585 2.976 1.00 32.40 H new ATOM 0 HB3 SER A 28 6.569 -14.359 4.601 1.00 32.40 H new ATOM 0 HG SER A 28 7.996 -16.176 4.447 1.00 1.42 H new ATOM 445 N LYS A 29 3.758 -14.817 5.210 1.00 50.34 N ATOM 446 CA LYS A 29 2.698 -15.081 6.195 1.00 53.22 C ATOM 447 C LYS A 29 1.849 -13.813 6.371 1.00 35.02 C ATOM 448 O LYS A 29 2.209 -12.736 5.872 1.00 32.31 O ATOM 449 CB LYS A 29 3.276 -15.527 7.577 1.00 62.43 C ATOM 450 CG LYS A 29 4.167 -16.790 7.549 1.00 31.10 C ATOM 451 CD LYS A 29 4.517 -17.310 8.963 1.00 21.14 C ATOM 452 CE LYS A 29 5.558 -18.446 8.937 1.00 41.13 C ATOM 453 NZ LYS A 29 5.145 -19.594 8.084 1.00 62.45 N ATOM 0 H LYS A 29 4.167 -13.887 5.296 1.00 50.34 H new ATOM 0 HA LYS A 29 2.085 -15.901 5.820 1.00 53.22 H new ATOM 0 HB2 LYS A 29 3.857 -14.703 7.991 1.00 62.43 H new ATOM 0 HB3 LYS A 29 2.444 -15.705 8.259 1.00 62.43 H new ATOM 0 HG2 LYS A 29 3.656 -17.577 6.994 1.00 31.10 H new ATOM 0 HG3 LYS A 29 5.088 -16.567 7.011 1.00 31.10 H new ATOM 0 HD2 LYS A 29 4.900 -16.486 9.565 1.00 21.14 H new ATOM 0 HD3 LYS A 29 3.609 -17.666 9.450 1.00 21.14 H new ATOM 0 HE2 LYS A 29 6.507 -18.053 8.573 1.00 41.13 H new ATOM 0 HE3 LYS A 29 5.728 -18.799 9.954 1.00 41.13 H new ATOM 0 HZ1 LYS A 29 5.860 -20.347 8.146 1.00 62.45 H new ATOM 0 HZ2 LYS A 29 4.228 -19.959 8.413 1.00 62.45 H new ATOM 0 HZ3 LYS A 29 5.058 -19.279 7.097 1.00 62.45 H new ATOM 467 N ALA A 30 0.717 -13.968 7.077 1.00 13.23 N ATOM 468 CA ALA A 30 -0.117 -12.846 7.528 1.00 40.55 C ATOM 469 C ALA A 30 0.616 -12.071 8.626 1.00 52.10 C ATOM 470 O ALA A 30 0.526 -10.840 8.700 1.00 32.12 O ATOM 471 CB ALA A 30 -1.471 -13.356 8.030 1.00 70.42 C ATOM 0 H ALA A 30 0.354 -14.881 7.352 1.00 13.23 H new ATOM 0 HA ALA A 30 -0.302 -12.175 6.689 1.00 40.55 H new ATOM 0 HB1 ALA A 30 -2.078 -12.513 8.361 1.00 70.42 H new ATOM 0 HB2 ALA A 30 -1.985 -13.878 7.223 1.00 70.42 H new ATOM 0 HB3 ALA A 30 -1.316 -14.040 8.864 1.00 70.42 H new ATOM 477 N GLU A 31 1.352 -12.836 9.467 1.00 35.02 N ATOM 478 CA GLU A 31 2.284 -12.317 10.478 1.00 63.11 C ATOM 479 C GLU A 31 3.290 -11.354 9.831 1.00 64.41 C ATOM 480 O GLU A 31 3.437 -10.211 10.273 1.00 42.42 O ATOM 481 CB GLU A 31 3.017 -13.509 11.158 1.00 52.11 C ATOM 482 CG GLU A 31 4.127 -13.093 12.141 1.00 72.35 C ATOM 483 CD GLU A 31 4.837 -14.278 12.802 1.00 22.44 C ATOM 484 OE1 GLU A 31 5.599 -14.984 12.104 1.00 23.32 O ATOM 485 OE2 GLU A 31 4.638 -14.512 14.019 1.00 34.01 O ATOM 0 H GLU A 31 1.308 -13.855 9.455 1.00 35.02 H new ATOM 0 HA GLU A 31 1.730 -11.763 11.235 1.00 63.11 H new ATOM 0 HB2 GLU A 31 2.284 -14.115 11.691 1.00 52.11 H new ATOM 0 HB3 GLU A 31 3.452 -14.142 10.384 1.00 52.11 H new ATOM 0 HG2 GLU A 31 4.863 -12.489 11.610 1.00 72.35 H new ATOM 0 HG3 GLU A 31 3.695 -12.460 12.917 1.00 72.35 H new ATOM 492 N GLU A 32 3.921 -11.832 8.739 1.00 44.35 N ATOM 493 CA GLU A 32 4.849 -11.036 7.924 1.00 72.35 C ATOM 494 C GLU A 32 4.147 -9.780 7.377 1.00 60.02 C ATOM 495 O GLU A 32 4.649 -8.668 7.546 1.00 0.33 O ATOM 496 CB GLU A 32 5.401 -11.887 6.755 1.00 24.53 C ATOM 497 CG GLU A 32 6.157 -13.159 7.186 1.00 51.21 C ATOM 498 CD GLU A 32 7.462 -12.880 7.953 1.00 45.35 C ATOM 499 OE1 GLU A 32 8.493 -12.596 7.303 1.00 5.14 O ATOM 500 OE2 GLU A 32 7.470 -12.949 9.198 1.00 31.02 O ATOM 0 H GLU A 32 3.798 -12.786 8.400 1.00 44.35 H new ATOM 0 HA GLU A 32 5.680 -10.723 8.556 1.00 72.35 H new ATOM 0 HB2 GLU A 32 4.571 -12.175 6.110 1.00 24.53 H new ATOM 0 HB3 GLU A 32 6.070 -11.268 6.157 1.00 24.53 H new ATOM 0 HG2 GLU A 32 5.502 -13.765 7.812 1.00 51.21 H new ATOM 0 HG3 GLU A 32 6.387 -13.751 6.300 1.00 51.21 H new ATOM 507 N ALA A 33 2.944 -9.987 6.788 1.00 14.10 N ATOM 508 CA ALA A 33 2.159 -8.928 6.121 1.00 3.44 C ATOM 509 C ALA A 33 1.866 -7.730 7.044 1.00 41.34 C ATOM 510 O ALA A 33 1.763 -6.608 6.562 1.00 14.30 O ATOM 511 CB ALA A 33 0.847 -9.508 5.568 1.00 54.10 C ATOM 0 H ALA A 33 2.491 -10.901 6.764 1.00 14.10 H new ATOM 0 HA ALA A 33 2.768 -8.552 5.299 1.00 3.44 H new ATOM 0 HB1 ALA A 33 0.277 -8.718 5.079 1.00 54.10 H new ATOM 0 HB2 ALA A 33 1.072 -10.293 4.846 1.00 54.10 H new ATOM 0 HB3 ALA A 33 0.260 -9.925 6.386 1.00 54.10 H new ATOM 517 N LYS A 34 1.777 -7.976 8.364 1.00 41.33 N ATOM 518 CA LYS A 34 1.510 -6.916 9.359 1.00 74.33 C ATOM 519 C LYS A 34 2.702 -5.936 9.448 1.00 1.33 C ATOM 520 O LYS A 34 2.519 -4.718 9.572 1.00 3.23 O ATOM 521 CB LYS A 34 1.240 -7.547 10.758 1.00 41.11 C ATOM 522 CG LYS A 34 0.844 -6.534 11.866 1.00 53.22 C ATOM 523 CD LYS A 34 0.931 -7.088 13.317 1.00 20.11 C ATOM 524 CE LYS A 34 -0.091 -8.194 13.664 1.00 42.53 C ATOM 525 NZ LYS A 34 0.266 -9.523 13.094 1.00 13.44 N ATOM 0 H LYS A 34 1.887 -8.905 8.770 1.00 41.33 H new ATOM 0 HA LYS A 34 0.627 -6.363 9.039 1.00 74.33 H new ATOM 0 HB2 LYS A 34 0.444 -8.286 10.660 1.00 41.11 H new ATOM 0 HB3 LYS A 34 2.134 -8.082 11.078 1.00 41.11 H new ATOM 0 HG2 LYS A 34 1.490 -5.659 11.787 1.00 53.22 H new ATOM 0 HG3 LYS A 34 -0.176 -6.195 11.682 1.00 53.22 H new ATOM 0 HD2 LYS A 34 1.935 -7.480 13.479 1.00 20.11 H new ATOM 0 HD3 LYS A 34 0.796 -6.260 14.013 1.00 20.11 H new ATOM 0 HE2 LYS A 34 -0.170 -8.280 14.748 1.00 42.53 H new ATOM 0 HE3 LYS A 34 -1.074 -7.900 13.296 1.00 42.53 H new ATOM 0 HZ1 LYS A 34 -0.006 -10.272 13.763 1.00 13.44 H new ATOM 0 HZ2 LYS A 34 -0.238 -9.662 12.195 1.00 13.44 H new ATOM 0 HZ3 LYS A 34 1.291 -9.564 12.926 1.00 13.44 H new ATOM 539 N GLU A 35 3.917 -6.498 9.383 1.00 31.45 N ATOM 540 CA GLU A 35 5.165 -5.720 9.368 1.00 2.10 C ATOM 541 C GLU A 35 5.338 -5.005 8.025 1.00 33.33 C ATOM 542 O GLU A 35 5.681 -3.826 7.999 1.00 24.21 O ATOM 543 CB GLU A 35 6.390 -6.626 9.689 1.00 65.31 C ATOM 544 CG GLU A 35 6.624 -6.880 11.199 1.00 10.41 C ATOM 545 CD GLU A 35 5.417 -7.508 11.935 1.00 33.34 C ATOM 546 OE1 GLU A 35 5.267 -8.735 11.884 1.00 42.45 O ATOM 547 OE2 GLU A 35 4.621 -6.774 12.571 1.00 25.13 O ATOM 0 H GLU A 35 4.063 -7.507 9.339 1.00 31.45 H new ATOM 0 HA GLU A 35 5.105 -4.960 10.147 1.00 2.10 H new ATOM 0 HB2 GLU A 35 6.257 -7.585 9.189 1.00 65.31 H new ATOM 0 HB3 GLU A 35 7.285 -6.168 9.268 1.00 65.31 H new ATOM 0 HG2 GLU A 35 7.487 -7.536 11.315 1.00 10.41 H new ATOM 0 HG3 GLU A 35 6.875 -5.935 11.680 1.00 10.41 H new ATOM 554 N LEU A 36 5.049 -5.728 6.918 1.00 3.43 N ATOM 555 CA LEU A 36 5.130 -5.188 5.542 1.00 74.05 C ATOM 556 C LEU A 36 4.149 -4.026 5.325 1.00 71.10 C ATOM 557 O LEU A 36 4.420 -3.124 4.529 1.00 1.30 O ATOM 558 CB LEU A 36 4.913 -6.315 4.480 1.00 54.42 C ATOM 559 CG LEU A 36 6.187 -7.150 4.104 1.00 51.11 C ATOM 560 CD1 LEU A 36 7.359 -6.223 3.687 1.00 32.15 C ATOM 561 CD2 LEU A 36 6.618 -8.112 5.228 1.00 71.32 C ATOM 0 H LEU A 36 4.753 -6.703 6.955 1.00 3.43 H new ATOM 0 HA LEU A 36 6.136 -4.790 5.410 1.00 74.05 H new ATOM 0 HB2 LEU A 36 4.150 -6.998 4.853 1.00 54.42 H new ATOM 0 HB3 LEU A 36 4.517 -5.861 3.571 1.00 54.42 H new ATOM 0 HG LEU A 36 5.914 -7.768 3.248 1.00 51.11 H new ATOM 0 HD11 LEU A 36 8.229 -6.828 3.432 1.00 32.15 H new ATOM 0 HD12 LEU A 36 7.063 -5.630 2.822 1.00 32.15 H new ATOM 0 HD13 LEU A 36 7.609 -5.559 4.514 1.00 32.15 H new ATOM 0 HD21 LEU A 36 7.504 -8.664 4.914 1.00 71.32 H new ATOM 0 HD22 LEU A 36 6.846 -7.541 6.128 1.00 71.32 H new ATOM 0 HD23 LEU A 36 5.809 -8.812 5.438 1.00 71.32 H new ATOM 573 N LEU A 37 3.009 -4.089 6.030 1.00 32.32 N ATOM 574 CA LEU A 37 2.016 -3.004 6.089 1.00 50.05 C ATOM 575 C LEU A 37 2.671 -1.724 6.594 1.00 40.33 C ATOM 576 O LEU A 37 2.526 -0.661 5.982 1.00 51.22 O ATOM 577 CB LEU A 37 0.821 -3.457 6.994 1.00 1.14 C ATOM 578 CG LEU A 37 -0.280 -2.394 7.399 1.00 64.02 C ATOM 579 CD1 LEU A 37 -1.660 -3.068 7.598 1.00 73.34 C ATOM 580 CD2 LEU A 37 0.122 -1.619 8.686 1.00 71.20 C ATOM 0 H LEU A 37 2.747 -4.905 6.583 1.00 32.32 H new ATOM 0 HA LEU A 37 1.625 -2.791 5.094 1.00 50.05 H new ATOM 0 HB2 LEU A 37 0.315 -4.277 6.485 1.00 1.14 H new ATOM 0 HB3 LEU A 37 1.241 -3.863 7.914 1.00 1.14 H new ATOM 0 HG LEU A 37 -0.354 -1.681 6.578 1.00 64.02 H new ATOM 0 HD11 LEU A 37 -2.397 -2.314 7.876 1.00 73.34 H new ATOM 0 HD12 LEU A 37 -1.967 -3.550 6.670 1.00 73.34 H new ATOM 0 HD13 LEU A 37 -1.590 -3.815 8.389 1.00 73.34 H new ATOM 0 HD21 LEU A 37 -0.657 -0.898 8.935 1.00 71.20 H new ATOM 0 HD22 LEU A 37 0.243 -2.321 9.511 1.00 71.20 H new ATOM 0 HD23 LEU A 37 1.062 -1.094 8.516 1.00 71.20 H new ATOM 592 N LYS A 38 3.415 -1.861 7.709 1.00 31.40 N ATOM 593 CA LYS A 38 4.069 -0.733 8.369 1.00 22.51 C ATOM 594 C LYS A 38 5.255 -0.235 7.529 1.00 70.23 C ATOM 595 O LYS A 38 5.461 0.962 7.430 1.00 11.20 O ATOM 596 CB LYS A 38 4.523 -1.124 9.802 1.00 64.21 C ATOM 597 CG LYS A 38 4.840 0.082 10.721 1.00 61.30 C ATOM 598 CD LYS A 38 5.490 -0.326 12.063 1.00 34.34 C ATOM 599 CE LYS A 38 5.553 0.829 13.083 1.00 71.14 C ATOM 600 NZ LYS A 38 6.139 2.071 12.513 1.00 22.22 N ATOM 0 H LYS A 38 3.574 -2.757 8.170 1.00 31.40 H new ATOM 0 HA LYS A 38 3.350 0.082 8.457 1.00 22.51 H new ATOM 0 HB2 LYS A 38 3.741 -1.725 10.267 1.00 64.21 H new ATOM 0 HB3 LYS A 38 5.409 -1.754 9.730 1.00 64.21 H new ATOM 0 HG2 LYS A 38 5.507 0.765 10.195 1.00 61.30 H new ATOM 0 HG3 LYS A 38 3.919 0.628 10.923 1.00 61.30 H new ATOM 0 HD2 LYS A 38 4.927 -1.154 12.495 1.00 34.34 H new ATOM 0 HD3 LYS A 38 6.500 -0.691 11.874 1.00 34.34 H new ATOM 0 HE2 LYS A 38 4.548 1.041 13.447 1.00 71.14 H new ATOM 0 HE3 LYS A 38 6.144 0.516 13.943 1.00 71.14 H new ATOM 0 HZ1 LYS A 38 6.219 2.791 13.259 1.00 22.22 H new ATOM 0 HZ2 LYS A 38 7.083 1.865 12.128 1.00 22.22 H new ATOM 0 HZ3 LYS A 38 5.525 2.427 11.753 1.00 22.22 H new ATOM 614 N LYS A 39 5.996 -1.173 6.882 1.00 44.01 N ATOM 615 CA LYS A 39 7.192 -0.839 6.074 1.00 30.33 C ATOM 616 C LYS A 39 6.822 0.081 4.902 1.00 50.31 C ATOM 617 O LYS A 39 7.443 1.137 4.718 1.00 4.11 O ATOM 618 CB LYS A 39 7.900 -2.122 5.540 1.00 4.23 C ATOM 619 CG LYS A 39 8.455 -3.062 6.633 1.00 35.42 C ATOM 620 CD LYS A 39 9.480 -2.380 7.573 1.00 54.44 C ATOM 621 CE LYS A 39 10.003 -3.330 8.666 1.00 42.32 C ATOM 622 NZ LYS A 39 11.005 -2.659 9.538 1.00 45.15 N ATOM 0 H LYS A 39 5.782 -2.170 6.907 1.00 44.01 H new ATOM 0 HA LYS A 39 7.887 -0.314 6.729 1.00 30.33 H new ATOM 0 HB2 LYS A 39 7.193 -2.680 4.926 1.00 4.23 H new ATOM 0 HB3 LYS A 39 8.721 -1.822 4.889 1.00 4.23 H new ATOM 0 HG2 LYS A 39 7.625 -3.443 7.229 1.00 35.42 H new ATOM 0 HG3 LYS A 39 8.927 -3.921 6.157 1.00 35.42 H new ATOM 0 HD2 LYS A 39 10.320 -2.013 6.983 1.00 54.44 H new ATOM 0 HD3 LYS A 39 9.016 -1.512 8.042 1.00 54.44 H new ATOM 0 HE2 LYS A 39 9.169 -3.682 9.273 1.00 42.32 H new ATOM 0 HE3 LYS A 39 10.453 -4.208 8.202 1.00 42.32 H new ATOM 0 HZ1 LYS A 39 11.337 -3.327 10.263 1.00 45.15 H new ATOM 0 HZ2 LYS A 39 11.812 -2.345 8.962 1.00 45.15 H new ATOM 0 HZ3 LYS A 39 10.568 -1.836 9.999 1.00 45.15 H new ATOM 636 N VAL A 40 5.797 -0.334 4.124 1.00 73.12 N ATOM 637 CA VAL A 40 5.256 0.467 3.011 1.00 41.53 C ATOM 638 C VAL A 40 4.743 1.822 3.547 1.00 43.43 C ATOM 639 O VAL A 40 5.019 2.867 2.956 1.00 33.21 O ATOM 640 CB VAL A 40 4.108 -0.306 2.244 1.00 64.53 C ATOM 641 CG1 VAL A 40 3.451 0.569 1.144 1.00 73.02 C ATOM 642 CG2 VAL A 40 4.644 -1.633 1.641 1.00 54.05 C ATOM 0 H VAL A 40 5.326 -1.230 4.252 1.00 73.12 H new ATOM 0 HA VAL A 40 6.058 0.647 2.295 1.00 41.53 H new ATOM 0 HB VAL A 40 3.335 -0.542 2.975 1.00 64.53 H new ATOM 0 HG11 VAL A 40 2.669 -0.002 0.644 1.00 73.02 H new ATOM 0 HG12 VAL A 40 3.016 1.459 1.599 1.00 73.02 H new ATOM 0 HG13 VAL A 40 4.206 0.866 0.416 1.00 73.02 H new ATOM 0 HG21 VAL A 40 3.837 -2.147 1.119 1.00 54.05 H new ATOM 0 HG22 VAL A 40 5.449 -1.415 0.940 1.00 54.05 H new ATOM 0 HG23 VAL A 40 5.022 -2.270 2.441 1.00 54.05 H new ATOM 652 N ALA A 41 4.060 1.777 4.713 1.00 41.44 N ATOM 653 CA ALA A 41 3.506 2.972 5.373 1.00 31.10 C ATOM 654 C ALA A 41 4.597 3.987 5.807 1.00 15.42 C ATOM 655 O ALA A 41 4.373 5.197 5.704 1.00 30.21 O ATOM 656 CB ALA A 41 2.632 2.555 6.569 1.00 42.24 C ATOM 0 H ALA A 41 3.880 0.910 5.219 1.00 41.44 H new ATOM 0 HA ALA A 41 2.889 3.489 4.638 1.00 31.10 H new ATOM 0 HB1 ALA A 41 2.227 3.445 7.051 1.00 42.24 H new ATOM 0 HB2 ALA A 41 1.813 1.926 6.219 1.00 42.24 H new ATOM 0 HB3 ALA A 41 3.237 1.998 7.285 1.00 42.24 H new ATOM 662 N GLU A 42 5.775 3.495 6.269 1.00 21.15 N ATOM 663 CA GLU A 42 6.877 4.369 6.740 1.00 43.11 C ATOM 664 C GLU A 42 7.580 5.050 5.550 1.00 74.43 C ATOM 665 O GLU A 42 7.699 6.285 5.500 1.00 61.21 O ATOM 666 CB GLU A 42 7.940 3.569 7.562 1.00 20.12 C ATOM 667 CG GLU A 42 7.436 2.879 8.849 1.00 54.21 C ATOM 668 CD GLU A 42 6.749 3.824 9.855 1.00 44.43 C ATOM 669 OE1 GLU A 42 7.444 4.691 10.429 1.00 22.14 O ATOM 670 OE2 GLU A 42 5.523 3.681 10.101 1.00 64.34 O ATOM 0 H GLU A 42 5.985 2.498 6.325 1.00 21.15 H new ATOM 0 HA GLU A 42 6.427 5.123 7.386 1.00 43.11 H new ATOM 0 HB2 GLU A 42 8.372 2.807 6.913 1.00 20.12 H new ATOM 0 HB3 GLU A 42 8.746 4.251 7.833 1.00 20.12 H new ATOM 0 HG2 GLU A 42 6.735 2.091 8.573 1.00 54.21 H new ATOM 0 HG3 GLU A 42 8.280 2.396 9.342 1.00 54.21 H new ATOM 677 N LYS A 43 8.031 4.217 4.594 1.00 32.45 N ATOM 678 CA LYS A 43 8.887 4.648 3.475 1.00 21.30 C ATOM 679 C LYS A 43 8.113 5.553 2.490 1.00 42.44 C ATOM 680 O LYS A 43 8.664 6.545 1.999 1.00 51.21 O ATOM 681 CB LYS A 43 9.477 3.403 2.758 1.00 44.32 C ATOM 682 CG LYS A 43 10.391 2.527 3.661 1.00 60.14 C ATOM 683 CD LYS A 43 10.876 1.223 2.963 1.00 64.11 C ATOM 684 CE LYS A 43 9.724 0.249 2.637 1.00 43.24 C ATOM 685 NZ LYS A 43 10.209 -1.019 2.023 1.00 1.33 N ATOM 0 H LYS A 43 7.810 3.221 4.577 1.00 32.45 H new ATOM 0 HA LYS A 43 9.709 5.243 3.873 1.00 21.30 H new ATOM 0 HB2 LYS A 43 8.657 2.789 2.384 1.00 44.32 H new ATOM 0 HB3 LYS A 43 10.049 3.733 1.891 1.00 44.32 H new ATOM 0 HG2 LYS A 43 11.259 3.113 3.965 1.00 60.14 H new ATOM 0 HG3 LYS A 43 9.849 2.265 4.570 1.00 60.14 H new ATOM 0 HD2 LYS A 43 11.396 1.483 2.041 1.00 64.11 H new ATOM 0 HD3 LYS A 43 11.598 0.720 3.606 1.00 64.11 H new ATOM 0 HE2 LYS A 43 9.175 0.020 3.551 1.00 43.24 H new ATOM 0 HE3 LYS A 43 9.023 0.734 1.957 1.00 43.24 H new ATOM 0 HZ1 LYS A 43 9.547 -1.789 2.248 1.00 1.33 H new ATOM 0 HZ2 LYS A 43 10.269 -0.904 0.991 1.00 1.33 H new ATOM 0 HZ3 LYS A 43 11.150 -1.250 2.401 1.00 1.33 H new ATOM 699 N ALA A 44 6.824 5.222 2.243 1.00 53.14 N ATOM 700 CA ALA A 44 5.948 6.016 1.352 1.00 10.01 C ATOM 701 C ALA A 44 5.680 7.394 1.961 1.00 33.42 C ATOM 702 O ALA A 44 5.822 8.410 1.277 1.00 5.42 O ATOM 703 CB ALA A 44 4.621 5.289 1.081 1.00 3.23 C ATOM 0 H ALA A 44 6.367 4.407 2.651 1.00 53.14 H new ATOM 0 HA ALA A 44 6.464 6.142 0.400 1.00 10.01 H new ATOM 0 HB1 ALA A 44 4.000 5.898 0.424 1.00 3.23 H new ATOM 0 HB2 ALA A 44 4.822 4.330 0.604 1.00 3.23 H new ATOM 0 HB3 ALA A 44 4.098 5.123 2.023 1.00 3.23 H new ATOM 709 N ALA A 45 5.335 7.405 3.274 1.00 32.51 N ATOM 710 CA ALA A 45 5.052 8.645 4.031 1.00 54.14 C ATOM 711 C ALA A 45 6.287 9.577 4.080 1.00 0.51 C ATOM 712 O ALA A 45 6.149 10.803 4.156 1.00 34.21 O ATOM 713 CB ALA A 45 4.572 8.318 5.454 1.00 4.34 C ATOM 0 H ALA A 45 5.246 6.556 3.833 1.00 32.51 H new ATOM 0 HA ALA A 45 4.256 9.173 3.506 1.00 54.14 H new ATOM 0 HB1 ALA A 45 4.370 9.244 5.992 1.00 4.34 H new ATOM 0 HB2 ALA A 45 3.661 7.722 5.403 1.00 4.34 H new ATOM 0 HB3 ALA A 45 5.344 7.755 5.978 1.00 4.34 H new ATOM 719 N ASP A 46 7.492 8.965 4.045 1.00 62.32 N ATOM 720 CA ASP A 46 8.779 9.695 4.014 1.00 71.02 C ATOM 721 C ASP A 46 8.980 10.392 2.652 1.00 3.23 C ATOM 722 O ASP A 46 9.509 11.505 2.585 1.00 52.42 O ATOM 723 CB ASP A 46 9.958 8.734 4.312 1.00 63.20 C ATOM 724 CG ASP A 46 11.307 9.467 4.487 1.00 10.15 C ATOM 725 OD1 ASP A 46 11.539 10.050 5.568 1.00 22.43 O ATOM 726 OD2 ASP A 46 12.148 9.448 3.557 1.00 54.43 O ATOM 0 H ASP A 46 7.599 7.951 4.037 1.00 62.32 H new ATOM 0 HA ASP A 46 8.754 10.461 4.789 1.00 71.02 H new ATOM 0 HB2 ASP A 46 9.738 8.169 5.218 1.00 63.20 H new ATOM 0 HB3 ASP A 46 10.046 8.013 3.499 1.00 63.20 H new ATOM 731 N LYS A 47 8.531 9.726 1.565 1.00 13.45 N ATOM 732 CA LYS A 47 8.557 10.306 0.204 1.00 54.51 C ATOM 733 C LYS A 47 7.582 11.487 0.108 1.00 14.21 C ATOM 734 O LYS A 47 7.822 12.417 -0.658 1.00 55.34 O ATOM 735 CB LYS A 47 8.233 9.240 -0.905 1.00 32.21 C ATOM 736 CG LYS A 47 9.430 8.900 -1.832 1.00 1.54 C ATOM 737 CD LYS A 47 10.499 8.041 -1.127 1.00 64.43 C ATOM 738 CE LYS A 47 10.005 6.610 -0.851 1.00 40.35 C ATOM 739 NZ LYS A 47 10.897 5.908 0.095 1.00 44.04 N ATOM 0 H LYS A 47 8.145 8.783 1.605 1.00 13.45 H new ATOM 0 HA LYS A 47 9.572 10.661 0.025 1.00 54.51 H new ATOM 0 HB2 LYS A 47 7.890 8.324 -0.423 1.00 32.21 H new ATOM 0 HB3 LYS A 47 7.408 9.607 -1.516 1.00 32.21 H new ATOM 0 HG2 LYS A 47 9.065 8.370 -2.711 1.00 1.54 H new ATOM 0 HG3 LYS A 47 9.886 9.825 -2.184 1.00 1.54 H new ATOM 0 HD2 LYS A 47 11.396 8.001 -1.745 1.00 64.43 H new ATOM 0 HD3 LYS A 47 10.781 8.514 -0.186 1.00 64.43 H new ATOM 0 HE2 LYS A 47 8.994 6.644 -0.444 1.00 40.35 H new ATOM 0 HE3 LYS A 47 9.954 6.054 -1.787 1.00 40.35 H new ATOM 0 HZ1 LYS A 47 11.071 4.940 -0.245 1.00 44.04 H new ATOM 0 HZ2 LYS A 47 11.801 6.418 0.164 1.00 44.04 H new ATOM 0 HZ3 LYS A 47 10.448 5.870 1.032 1.00 44.04 H new ATOM 753 N ILE A 48 6.480 11.426 0.879 1.00 53.32 N ATOM 754 CA ILE A 48 5.506 12.525 0.952 1.00 73.30 C ATOM 755 C ILE A 48 6.163 13.751 1.608 1.00 52.20 C ATOM 756 O ILE A 48 5.997 14.889 1.153 1.00 33.34 O ATOM 757 CB ILE A 48 4.221 12.138 1.778 1.00 31.50 C ATOM 758 CG1 ILE A 48 3.646 10.758 1.333 1.00 2.14 C ATOM 759 CG2 ILE A 48 3.143 13.252 1.685 1.00 3.23 C ATOM 760 CD1 ILE A 48 3.209 10.652 -0.111 1.00 13.34 C ATOM 0 H ILE A 48 6.244 10.623 1.461 1.00 53.32 H new ATOM 0 HA ILE A 48 5.195 12.747 -0.069 1.00 73.30 H new ATOM 0 HB ILE A 48 4.518 12.044 2.822 1.00 31.50 H new ATOM 0 HG12 ILE A 48 4.402 9.995 1.519 1.00 2.14 H new ATOM 0 HG13 ILE A 48 2.792 10.522 1.968 1.00 2.14 H new ATOM 0 HG21 ILE A 48 2.267 12.960 2.264 1.00 3.23 H new ATOM 0 HG22 ILE A 48 3.547 14.183 2.083 1.00 3.23 H new ATOM 0 HG23 ILE A 48 2.858 13.396 0.643 1.00 3.23 H new ATOM 0 HD11 ILE A 48 2.828 9.649 -0.303 1.00 13.34 H new ATOM 0 HD12 ILE A 48 2.424 11.382 -0.308 1.00 13.34 H new ATOM 0 HD13 ILE A 48 4.060 10.848 -0.764 1.00 13.34 H new ATOM 772 N LYS A 49 6.939 13.463 2.672 1.00 62.25 N ATOM 773 CA LYS A 49 7.586 14.475 3.515 1.00 43.43 C ATOM 774 C LYS A 49 8.601 15.294 2.683 1.00 40.04 C ATOM 775 O LYS A 49 8.585 16.527 2.717 1.00 22.42 O ATOM 776 CB LYS A 49 8.242 13.757 4.746 1.00 63.13 C ATOM 777 CG LYS A 49 8.660 14.665 5.939 1.00 44.12 C ATOM 778 CD LYS A 49 9.983 15.435 5.712 1.00 31.03 C ATOM 779 CE LYS A 49 10.415 16.267 6.928 1.00 63.51 C ATOM 780 NZ LYS A 49 10.760 15.409 8.094 1.00 25.32 N ATOM 0 H LYS A 49 7.133 12.507 2.970 1.00 62.25 H new ATOM 0 HA LYS A 49 6.854 15.189 3.893 1.00 43.43 H new ATOM 0 HB2 LYS A 49 7.542 13.008 5.116 1.00 63.13 H new ATOM 0 HB3 LYS A 49 9.126 13.223 4.398 1.00 63.13 H new ATOM 0 HG2 LYS A 49 7.863 15.383 6.132 1.00 44.12 H new ATOM 0 HG3 LYS A 49 8.759 14.050 6.833 1.00 44.12 H new ATOM 0 HD2 LYS A 49 10.772 14.724 5.467 1.00 31.03 H new ATOM 0 HD3 LYS A 49 9.869 16.094 4.851 1.00 31.03 H new ATOM 0 HE2 LYS A 49 11.276 16.880 6.661 1.00 63.51 H new ATOM 0 HE3 LYS A 49 9.611 16.949 7.205 1.00 63.51 H new ATOM 0 HZ1 LYS A 49 11.626 15.767 8.545 1.00 25.32 H new ATOM 0 HZ2 LYS A 49 9.979 15.427 8.781 1.00 25.32 H new ATOM 0 HZ3 LYS A 49 10.916 14.432 7.772 1.00 25.32 H new ATOM 794 N LYS A 50 9.456 14.596 1.913 1.00 11.23 N ATOM 795 CA LYS A 50 10.518 15.238 1.096 1.00 4.23 C ATOM 796 C LYS A 50 9.957 15.765 -0.241 1.00 74.22 C ATOM 797 O LYS A 50 10.140 16.937 -0.586 1.00 52.32 O ATOM 798 CB LYS A 50 11.690 14.237 0.794 1.00 30.30 C ATOM 799 CG LYS A 50 12.717 14.010 1.930 1.00 74.11 C ATOM 800 CD LYS A 50 12.114 13.347 3.185 1.00 41.45 C ATOM 801 CE LYS A 50 13.186 12.889 4.178 1.00 34.22 C ATOM 802 NZ LYS A 50 14.013 11.786 3.625 1.00 4.03 N ATOM 0 H LYS A 50 9.436 13.579 1.835 1.00 11.23 H new ATOM 0 HA LYS A 50 10.900 16.075 1.681 1.00 4.23 H new ATOM 0 HB2 LYS A 50 11.255 13.273 0.530 1.00 30.30 H new ATOM 0 HB3 LYS A 50 12.227 14.596 -0.084 1.00 30.30 H new ATOM 0 HG2 LYS A 50 13.529 13.387 1.555 1.00 74.11 H new ATOM 0 HG3 LYS A 50 13.154 14.969 2.210 1.00 74.11 H new ATOM 0 HD2 LYS A 50 11.444 14.051 3.678 1.00 41.45 H new ATOM 0 HD3 LYS A 50 11.511 12.490 2.885 1.00 41.45 H new ATOM 0 HE2 LYS A 50 13.828 13.732 4.434 1.00 34.22 H new ATOM 0 HE3 LYS A 50 12.710 12.559 5.101 1.00 34.22 H new ATOM 0 HZ1 LYS A 50 14.671 11.446 4.355 1.00 4.03 H new ATOM 0 HZ2 LYS A 50 13.395 11.005 3.325 1.00 4.03 H new ATOM 0 HZ3 LYS A 50 14.553 12.134 2.807 1.00 4.03 H new ATOM 816 N GLN A 51 9.250 14.892 -0.973 1.00 44.11 N ATOM 817 CA GLN A 51 9.011 15.064 -2.428 1.00 44.24 C ATOM 818 C GLN A 51 7.517 15.140 -2.806 1.00 35.11 C ATOM 819 O GLN A 51 7.192 15.100 -3.999 1.00 5.31 O ATOM 820 CB GLN A 51 9.694 13.891 -3.198 1.00 20.35 C ATOM 821 CG GLN A 51 11.231 13.831 -3.086 1.00 32.20 C ATOM 822 CD GLN A 51 11.928 15.071 -3.663 1.00 23.00 C ATOM 823 OE1 GLN A 51 12.176 16.057 -2.963 1.00 61.44 O ATOM 824 NE2 GLN A 51 12.247 15.037 -4.946 1.00 65.13 N ATOM 0 H GLN A 51 8.827 14.049 -0.584 1.00 44.11 H new ATOM 0 HA GLN A 51 9.444 16.023 -2.711 1.00 44.24 H new ATOM 0 HB2 GLN A 51 9.283 12.950 -2.831 1.00 20.35 H new ATOM 0 HB3 GLN A 51 9.426 13.966 -4.252 1.00 20.35 H new ATOM 0 HG2 GLN A 51 11.508 13.721 -2.038 1.00 32.20 H new ATOM 0 HG3 GLN A 51 11.592 12.944 -3.606 1.00 32.20 H new ATOM 0 HE21 GLN A 51 12.031 14.210 -5.503 1.00 65.13 H new ATOM 0 HE22 GLN A 51 12.709 15.837 -5.378 1.00 65.13 H new ATOM 833 N GLY A 52 6.619 15.255 -1.815 1.00 25.52 N ATOM 834 CA GLY A 52 5.177 15.398 -2.083 1.00 10.20 C ATOM 835 C GLY A 52 4.500 14.063 -2.391 1.00 25.33 C ATOM 836 O GLY A 52 3.692 13.586 -1.589 1.00 62.23 O ATOM 0 H GLY A 52 6.863 15.252 -0.825 1.00 25.52 H new ATOM 0 HA2 GLY A 52 4.694 15.855 -1.219 1.00 10.20 H new ATOM 0 HA3 GLY A 52 5.033 16.076 -2.924 1.00 10.20 H new ATOM 840 N CYS A 53 4.827 13.497 -3.583 1.00 22.23 N ATOM 841 CA CYS A 53 4.410 12.144 -4.021 1.00 20.41 C ATOM 842 C CYS A 53 2.878 11.959 -3.928 1.00 70.15 C ATOM 843 O CYS A 53 2.366 11.162 -3.138 1.00 24.01 O ATOM 844 CB CYS A 53 5.182 11.066 -3.222 1.00 55.34 C ATOM 845 SG CYS A 53 6.970 11.293 -3.276 1.00 0.24 S ATOM 0 H CYS A 53 5.398 13.980 -4.277 1.00 22.23 H new ATOM 0 HA CYS A 53 4.665 12.027 -5.074 1.00 20.41 H new ATOM 0 HB2 CYS A 53 4.850 11.084 -2.184 1.00 55.34 H new ATOM 0 HB3 CYS A 53 4.934 10.081 -3.618 1.00 55.34 H new ATOM 0 HG CYS A 53 7.301 11.865 -4.395 1.00 0.24 H new ATOM 851 N LYS A 54 2.161 12.732 -4.752 1.00 54.31 N ATOM 852 CA LYS A 54 0.702 12.910 -4.641 1.00 55.13 C ATOM 853 C LYS A 54 -0.106 11.659 -5.036 1.00 12.40 C ATOM 854 O LYS A 54 -1.313 11.596 -4.785 1.00 10.42 O ATOM 855 CB LYS A 54 0.262 14.152 -5.461 1.00 52.23 C ATOM 856 CG LYS A 54 0.919 15.479 -4.985 1.00 60.15 C ATOM 857 CD LYS A 54 0.405 16.719 -5.756 1.00 73.52 C ATOM 858 CE LYS A 54 -1.085 17.005 -5.507 1.00 42.54 C ATOM 859 NZ LYS A 54 -1.543 18.200 -6.259 1.00 52.45 N ATOM 0 H LYS A 54 2.577 13.257 -5.521 1.00 54.31 H new ATOM 0 HA LYS A 54 0.479 13.072 -3.586 1.00 55.13 H new ATOM 0 HB2 LYS A 54 0.509 13.990 -6.510 1.00 52.23 H new ATOM 0 HB3 LYS A 54 -0.822 14.251 -5.401 1.00 52.23 H new ATOM 0 HG2 LYS A 54 0.724 15.613 -3.921 1.00 60.15 H new ATOM 0 HG3 LYS A 54 2.000 15.406 -5.104 1.00 60.15 H new ATOM 0 HD2 LYS A 54 0.991 17.591 -5.463 1.00 73.52 H new ATOM 0 HD3 LYS A 54 0.567 16.570 -6.823 1.00 73.52 H new ATOM 0 HE2 LYS A 54 -1.677 16.139 -5.803 1.00 42.54 H new ATOM 0 HE3 LYS A 54 -1.254 17.158 -4.441 1.00 42.54 H new ATOM 0 HZ1 LYS A 54 -2.552 18.364 -6.068 1.00 52.45 H new ATOM 0 HZ2 LYS A 54 -0.994 19.031 -5.959 1.00 52.45 H new ATOM 0 HZ3 LYS A 54 -1.404 18.043 -7.278 1.00 52.45 H new ATOM 873 N ARG A 55 0.552 10.682 -5.672 1.00 14.31 N ATOM 874 CA ARG A 55 -0.048 9.370 -5.973 1.00 22.45 C ATOM 875 C ARG A 55 0.849 8.289 -5.359 1.00 22.43 C ATOM 876 O ARG A 55 2.081 8.389 -5.430 1.00 74.20 O ATOM 877 CB ARG A 55 -0.204 9.104 -7.510 1.00 42.33 C ATOM 878 CG ARG A 55 -0.999 10.160 -8.325 1.00 65.44 C ATOM 879 CD ARG A 55 -0.168 11.417 -8.663 1.00 53.11 C ATOM 880 NE ARG A 55 -0.865 12.339 -9.573 1.00 50.45 N ATOM 881 CZ ARG A 55 -0.260 13.283 -10.317 1.00 2.41 C ATOM 882 NH1 ARG A 55 1.064 13.448 -10.276 1.00 54.45 N ATOM 883 NH2 ARG A 55 -0.988 14.063 -11.105 1.00 52.43 N ATOM 0 H ARG A 55 1.515 10.776 -5.994 1.00 14.31 H new ATOM 0 HA ARG A 55 -1.053 9.353 -5.550 1.00 22.45 H new ATOM 0 HB2 ARG A 55 0.793 9.020 -7.943 1.00 42.33 H new ATOM 0 HB3 ARG A 55 -0.691 8.137 -7.640 1.00 42.33 H new ATOM 0 HG2 ARG A 55 -1.352 9.705 -9.251 1.00 65.44 H new ATOM 0 HG3 ARG A 55 -1.882 10.457 -7.759 1.00 65.44 H new ATOM 0 HD2 ARG A 55 0.078 11.942 -7.740 1.00 53.11 H new ATOM 0 HD3 ARG A 55 0.775 11.111 -9.116 1.00 53.11 H new ATOM 0 HE ARG A 55 -1.879 12.257 -9.645 1.00 50.45 H new ATOM 0 HH11 ARG A 55 1.634 12.853 -9.674 1.00 54.45 H new ATOM 0 HH12 ARG A 55 1.506 14.169 -10.847 1.00 54.45 H new ATOM 0 HH21 ARG A 55 -2.000 13.945 -11.145 1.00 52.43 H new ATOM 0 HH22 ARG A 55 -0.535 14.780 -11.671 1.00 52.43 H new ATOM 897 N VAL A 56 0.243 7.283 -4.729 1.00 42.31 N ATOM 898 CA VAL A 56 0.939 6.064 -4.305 1.00 22.05 C ATOM 899 C VAL A 56 0.112 4.883 -4.817 1.00 51.23 C ATOM 900 O VAL A 56 -0.989 4.642 -4.344 1.00 61.24 O ATOM 901 CB VAL A 56 1.083 5.995 -2.729 1.00 64.32 C ATOM 902 CG1 VAL A 56 1.735 4.667 -2.272 1.00 21.32 C ATOM 903 CG2 VAL A 56 1.851 7.221 -2.164 1.00 24.44 C ATOM 0 H VAL A 56 -0.750 7.289 -4.496 1.00 42.31 H new ATOM 0 HA VAL A 56 1.950 6.047 -4.711 1.00 22.05 H new ATOM 0 HB VAL A 56 0.074 6.025 -2.318 1.00 64.32 H new ATOM 0 HG11 VAL A 56 1.817 4.657 -1.185 1.00 21.32 H new ATOM 0 HG12 VAL A 56 1.119 3.828 -2.597 1.00 21.32 H new ATOM 0 HG13 VAL A 56 2.729 4.579 -2.711 1.00 21.32 H new ATOM 0 HG21 VAL A 56 1.928 7.134 -1.080 1.00 24.44 H new ATOM 0 HG22 VAL A 56 2.851 7.255 -2.597 1.00 24.44 H new ATOM 0 HG23 VAL A 56 1.314 8.135 -2.418 1.00 24.44 H new ATOM 913 N LYS A 57 0.673 4.122 -5.749 1.00 74.13 N ATOM 914 CA LYS A 57 -0.040 3.036 -6.424 1.00 2.52 C ATOM 915 C LYS A 57 0.296 1.712 -5.745 1.00 52.24 C ATOM 916 O LYS A 57 1.466 1.373 -5.559 1.00 22.43 O ATOM 917 CB LYS A 57 0.358 2.987 -7.925 1.00 22.21 C ATOM 918 CG LYS A 57 -0.044 4.240 -8.726 1.00 34.31 C ATOM 919 CD LYS A 57 0.548 4.276 -10.155 1.00 20.45 C ATOM 920 CE LYS A 57 -0.002 5.451 -10.991 1.00 12.21 C ATOM 921 NZ LYS A 57 0.130 6.757 -10.285 1.00 0.51 N ATOM 0 H LYS A 57 1.637 4.238 -6.061 1.00 74.13 H new ATOM 0 HA LYS A 57 -1.114 3.212 -6.357 1.00 2.52 H new ATOM 0 HB2 LYS A 57 1.437 2.853 -7.999 1.00 22.21 H new ATOM 0 HB3 LYS A 57 -0.104 2.113 -8.383 1.00 22.21 H new ATOM 0 HG2 LYS A 57 -1.131 4.287 -8.790 1.00 34.31 H new ATOM 0 HG3 LYS A 57 0.282 5.128 -8.184 1.00 34.31 H new ATOM 0 HD2 LYS A 57 1.633 4.354 -10.094 1.00 20.45 H new ATOM 0 HD3 LYS A 57 0.324 3.337 -10.662 1.00 20.45 H new ATOM 0 HE2 LYS A 57 0.530 5.499 -11.941 1.00 12.21 H new ATOM 0 HE3 LYS A 57 -1.052 5.270 -11.222 1.00 12.21 H new ATOM 0 HZ1 LYS A 57 0.211 7.523 -10.984 1.00 0.51 H new ATOM 0 HZ2 LYS A 57 -0.709 6.917 -9.692 1.00 0.51 H new ATOM 0 HZ3 LYS A 57 0.980 6.743 -9.686 1.00 0.51 H new ATOM 935 N ILE A 58 -0.739 0.992 -5.349 1.00 32.10 N ATOM 936 CA ILE A 58 -0.618 -0.389 -4.884 1.00 23.34 C ATOM 937 C ILE A 58 -1.082 -1.278 -6.040 1.00 30.41 C ATOM 938 O ILE A 58 -2.243 -1.214 -6.438 1.00 20.35 O ATOM 939 CB ILE A 58 -1.496 -0.636 -3.596 1.00 24.23 C ATOM 940 CG1 ILE A 58 -1.019 0.296 -2.426 1.00 43.34 C ATOM 941 CG2 ILE A 58 -1.487 -2.131 -3.183 1.00 52.33 C ATOM 942 CD1 ILE A 58 -1.861 0.231 -1.160 1.00 62.34 C ATOM 0 H ILE A 58 -1.695 1.346 -5.339 1.00 32.10 H new ATOM 0 HA ILE A 58 0.411 -0.615 -4.603 1.00 23.34 H new ATOM 0 HB ILE A 58 -2.530 -0.381 -3.829 1.00 24.23 H new ATOM 0 HG12 ILE A 58 0.009 0.037 -2.173 1.00 43.34 H new ATOM 0 HG13 ILE A 58 -1.009 1.325 -2.784 1.00 43.34 H new ATOM 0 HG21 ILE A 58 -2.101 -2.266 -2.293 1.00 52.33 H new ATOM 0 HG22 ILE A 58 -1.889 -2.736 -3.996 1.00 52.33 H new ATOM 0 HG23 ILE A 58 -0.465 -2.443 -2.969 1.00 52.33 H new ATOM 0 HD11 ILE A 58 -1.449 0.910 -0.414 1.00 62.34 H new ATOM 0 HD12 ILE A 58 -2.886 0.522 -1.389 1.00 62.34 H new ATOM 0 HD13 ILE A 58 -1.852 -0.786 -0.769 1.00 62.34 H new ATOM 954 N ARG A 59 -0.160 -2.056 -6.618 1.00 43.30 N ATOM 955 CA ARG A 59 -0.487 -3.022 -7.676 1.00 2.21 C ATOM 956 C ARG A 59 -0.106 -4.420 -7.199 1.00 1.52 C ATOM 957 O ARG A 59 0.976 -4.634 -6.631 1.00 34.14 O ATOM 958 CB ARG A 59 0.218 -2.673 -9.012 1.00 63.10 C ATOM 959 CG ARG A 59 -0.170 -3.623 -10.177 1.00 45.45 C ATOM 960 CD ARG A 59 0.408 -3.191 -11.529 1.00 1.24 C ATOM 961 NE ARG A 59 -0.186 -1.927 -11.988 1.00 25.15 N ATOM 962 CZ ARG A 59 0.363 -1.072 -12.856 1.00 1.25 C ATOM 963 NH1 ARG A 59 1.549 -1.321 -13.408 1.00 0.45 N ATOM 964 NH2 ARG A 59 -0.301 0.019 -13.195 1.00 10.10 N ATOM 0 H ARG A 59 0.829 -2.035 -6.368 1.00 43.30 H new ATOM 0 HA ARG A 59 -1.558 -2.983 -7.874 1.00 2.21 H new ATOM 0 HB2 ARG A 59 -0.031 -1.649 -9.289 1.00 63.10 H new ATOM 0 HB3 ARG A 59 1.298 -2.710 -8.866 1.00 63.10 H new ATOM 0 HG2 ARG A 59 0.177 -4.630 -9.946 1.00 45.45 H new ATOM 0 HG3 ARG A 59 -1.256 -3.670 -10.252 1.00 45.45 H new ATOM 0 HD2 ARG A 59 1.489 -3.077 -11.445 1.00 1.24 H new ATOM 0 HD3 ARG A 59 0.226 -3.970 -12.269 1.00 1.24 H new ATOM 0 HE ARG A 59 -1.100 -1.680 -11.609 1.00 25.15 H new ATOM 0 HH11 ARG A 59 2.053 -2.175 -13.170 1.00 0.45 H new ATOM 0 HH12 ARG A 59 1.953 -0.657 -14.069 1.00 0.45 H new ATOM 0 HH21 ARG A 59 -1.222 0.201 -12.795 1.00 10.10 H new ATOM 0 HH22 ARG A 59 0.107 0.680 -13.856 1.00 10.10 H new ATOM 978 N PHE A 60 -1.022 -5.355 -7.432 1.00 0.14 N ATOM 979 CA PHE A 60 -0.955 -6.707 -6.908 1.00 33.41 C ATOM 980 C PHE A 60 -1.872 -7.588 -7.774 1.00 0.40 C ATOM 981 O PHE A 60 -2.962 -7.163 -8.139 1.00 21.40 O ATOM 982 CB PHE A 60 -1.424 -6.660 -5.427 1.00 41.00 C ATOM 983 CG PHE A 60 -1.387 -7.988 -4.694 1.00 62.41 C ATOM 984 CD1 PHE A 60 -0.176 -8.620 -4.441 1.00 45.31 C ATOM 985 CD2 PHE A 60 -2.557 -8.609 -4.262 1.00 43.32 C ATOM 986 CE1 PHE A 60 -0.129 -9.829 -3.778 1.00 21.00 C ATOM 987 CE2 PHE A 60 -2.507 -9.811 -3.602 1.00 72.31 C ATOM 988 CZ PHE A 60 -1.294 -10.424 -3.359 1.00 24.33 C ATOM 0 H PHE A 60 -1.849 -5.185 -8.004 1.00 0.14 H new ATOM 0 HA PHE A 60 0.052 -7.122 -6.939 1.00 33.41 H new ATOM 0 HB2 PHE A 60 -0.799 -5.948 -4.887 1.00 41.00 H new ATOM 0 HB3 PHE A 60 -2.444 -6.276 -5.398 1.00 41.00 H new ATOM 0 HD1 PHE A 60 0.743 -8.158 -4.769 1.00 45.31 H new ATOM 0 HD2 PHE A 60 -3.512 -8.140 -4.448 1.00 43.32 H new ATOM 0 HE1 PHE A 60 0.821 -10.306 -3.589 1.00 21.00 H new ATOM 0 HE2 PHE A 60 -3.422 -10.280 -3.271 1.00 72.31 H new ATOM 0 HZ PHE A 60 -1.261 -11.371 -2.840 1.00 24.33 H new ATOM 998 N GLU A 61 -1.429 -8.797 -8.119 1.00 3.31 N ATOM 999 CA GLU A 61 -2.225 -9.740 -8.929 1.00 64.51 C ATOM 1000 C GLU A 61 -2.834 -10.822 -8.032 1.00 31.14 C ATOM 1001 O GLU A 61 -2.299 -11.131 -6.966 1.00 30.40 O ATOM 1002 CB GLU A 61 -1.361 -10.389 -10.054 1.00 33.22 C ATOM 1003 CG GLU A 61 -1.064 -9.481 -11.273 1.00 2.53 C ATOM 1004 CD GLU A 61 -0.064 -8.342 -11.005 1.00 74.54 C ATOM 1005 OE1 GLU A 61 1.161 -8.596 -11.069 1.00 52.35 O ATOM 1006 OE2 GLU A 61 -0.481 -7.188 -10.758 1.00 53.30 O ATOM 0 H GLU A 61 -0.513 -9.156 -7.850 1.00 3.31 H new ATOM 0 HA GLU A 61 -3.029 -9.181 -9.407 1.00 64.51 H new ATOM 0 HB2 GLU A 61 -0.413 -10.709 -9.621 1.00 33.22 H new ATOM 0 HB3 GLU A 61 -1.869 -11.286 -10.407 1.00 33.22 H new ATOM 0 HG2 GLU A 61 -0.679 -10.100 -12.083 1.00 2.53 H new ATOM 0 HG3 GLU A 61 -2.001 -9.047 -11.621 1.00 2.53 H new ATOM 1013 N LYS A 62 -3.968 -11.378 -8.481 1.00 30.33 N ATOM 1014 CA LYS A 62 -4.639 -12.515 -7.828 1.00 74.11 C ATOM 1015 C LYS A 62 -4.877 -13.620 -8.876 1.00 44.34 C ATOM 1016 O LYS A 62 -4.062 -13.764 -9.794 1.00 35.13 O ATOM 1017 CB LYS A 62 -5.971 -12.059 -7.194 1.00 1.40 C ATOM 1018 CG LYS A 62 -5.909 -10.869 -6.229 1.00 63.25 C ATOM 1019 CD LYS A 62 -7.296 -10.552 -5.627 1.00 20.31 C ATOM 1020 CE LYS A 62 -8.284 -9.924 -6.650 1.00 43.15 C ATOM 1021 NZ LYS A 62 -8.766 -10.869 -7.705 1.00 61.03 N ATOM 0 H LYS A 62 -4.452 -11.049 -9.316 1.00 30.33 H new ATOM 0 HA LYS A 62 -4.010 -12.908 -7.029 1.00 74.11 H new ATOM 0 HB2 LYS A 62 -6.661 -11.807 -7.999 1.00 1.40 H new ATOM 0 HB3 LYS A 62 -6.400 -12.907 -6.660 1.00 1.40 H new ATOM 0 HG2 LYS A 62 -5.205 -11.087 -5.426 1.00 63.25 H new ATOM 0 HG3 LYS A 62 -5.531 -9.992 -6.755 1.00 63.25 H new ATOM 0 HD2 LYS A 62 -7.730 -11.470 -5.230 1.00 20.31 H new ATOM 0 HD3 LYS A 62 -7.172 -9.869 -4.787 1.00 20.31 H new ATOM 0 HE2 LYS A 62 -9.146 -9.531 -6.110 1.00 43.15 H new ATOM 0 HE3 LYS A 62 -7.797 -9.077 -7.133 1.00 43.15 H new ATOM 0 HZ1 LYS A 62 -9.709 -10.575 -8.029 1.00 61.03 H new ATOM 0 HZ2 LYS A 62 -8.105 -10.859 -8.508 1.00 61.03 H new ATOM 0 HZ3 LYS A 62 -8.819 -11.830 -7.312 1.00 61.03 H new ATOM 1035 N LYS A 63 -5.981 -14.408 -8.715 1.00 52.12 N ATOM 1036 CA LYS A 63 -6.318 -15.544 -9.586 1.00 60.11 C ATOM 1037 C LYS A 63 -5.268 -16.662 -9.443 1.00 44.13 C ATOM 1038 O LYS A 63 -5.090 -17.487 -10.346 1.00 33.24 O ATOM 1039 CB LYS A 63 -6.548 -15.090 -11.079 1.00 10.23 C ATOM 1040 CG LYS A 63 -8.016 -14.800 -11.454 1.00 13.52 C ATOM 1041 CD LYS A 63 -8.930 -16.037 -11.288 1.00 14.34 C ATOM 1042 CE LYS A 63 -10.331 -15.824 -11.884 1.00 54.24 C ATOM 1043 NZ LYS A 63 -10.289 -15.644 -13.362 1.00 33.21 N ATOM 0 H LYS A 63 -6.659 -14.260 -7.967 1.00 52.12 H new ATOM 0 HA LYS A 63 -7.271 -15.961 -9.260 1.00 60.11 H new ATOM 0 HB2 LYS A 63 -5.957 -14.193 -11.265 1.00 10.23 H new ATOM 0 HB3 LYS A 63 -6.166 -15.866 -11.742 1.00 10.23 H new ATOM 0 HG2 LYS A 63 -8.393 -13.989 -10.831 1.00 13.52 H new ATOM 0 HG3 LYS A 63 -8.062 -14.456 -12.487 1.00 13.52 H new ATOM 0 HD2 LYS A 63 -8.462 -16.896 -11.768 1.00 14.34 H new ATOM 0 HD3 LYS A 63 -9.023 -16.275 -10.228 1.00 14.34 H new ATOM 0 HE2 LYS A 63 -10.962 -16.679 -11.641 1.00 54.24 H new ATOM 0 HE3 LYS A 63 -10.790 -14.948 -11.425 1.00 54.24 H new ATOM 0 HZ1 LYS A 63 -11.251 -15.724 -13.749 1.00 33.21 H new ATOM 0 HZ2 LYS A 63 -9.902 -14.705 -13.587 1.00 33.21 H new ATOM 0 HZ3 LYS A 63 -9.684 -16.377 -13.784 1.00 33.21 H new ATOM 1057 N GLY A 64 -4.615 -16.700 -8.260 1.00 33.40 N ATOM 1058 CA GLY A 64 -3.589 -17.690 -7.966 1.00 14.51 C ATOM 1059 C GLY A 64 -2.912 -17.495 -6.618 1.00 2.33 C ATOM 1060 O GLY A 64 -1.809 -18.015 -6.418 1.00 14.32 O ATOM 0 H GLY A 64 -4.792 -16.046 -7.497 1.00 33.40 H new ATOM 0 HA2 GLY A 64 -4.037 -18.683 -7.996 1.00 14.51 H new ATOM 0 HA3 GLY A 64 -2.832 -17.658 -8.750 1.00 14.51 H new ATOM 1064 N LEU A 65 -3.550 -16.744 -5.680 1.00 4.51 N ATOM 1065 CA LEU A 65 -2.981 -16.528 -4.327 1.00 11.31 C ATOM 1066 C LEU A 65 -3.181 -17.780 -3.445 1.00 35.14 C ATOM 1067 O LEU A 65 -2.250 -18.572 -3.247 1.00 25.00 O ATOM 1068 CB LEU A 65 -3.624 -15.286 -3.639 1.00 61.52 C ATOM 1069 CG LEU A 65 -3.576 -13.952 -4.428 1.00 71.44 C ATOM 1070 CD1 LEU A 65 -4.236 -12.825 -3.611 1.00 34.21 C ATOM 1071 CD2 LEU A 65 -2.135 -13.583 -4.858 1.00 21.21 C ATOM 0 H LEU A 65 -4.447 -16.284 -5.836 1.00 4.51 H new ATOM 0 HA LEU A 65 -1.913 -16.344 -4.443 1.00 11.31 H new ATOM 0 HB2 LEU A 65 -4.667 -15.518 -3.425 1.00 61.52 H new ATOM 0 HB3 LEU A 65 -3.128 -15.133 -2.681 1.00 61.52 H new ATOM 0 HG LEU A 65 -4.145 -14.084 -5.348 1.00 71.44 H new ATOM 0 HD11 LEU A 65 -4.195 -11.894 -4.176 1.00 34.21 H new ATOM 0 HD12 LEU A 65 -5.276 -13.082 -3.410 1.00 34.21 H new ATOM 0 HD13 LEU A 65 -3.704 -12.700 -2.668 1.00 34.21 H new ATOM 0 HD21 LEU A 65 -2.149 -12.642 -5.408 1.00 21.21 H new ATOM 0 HD22 LEU A 65 -1.507 -13.477 -3.973 1.00 21.21 H new ATOM 0 HD23 LEU A 65 -1.733 -14.370 -5.496 1.00 21.21 H new ATOM 1083 N ASP A 66 -4.441 -17.934 -2.995 1.00 60.32 N ATOM 1084 CA ASP A 66 -4.921 -18.907 -1.987 1.00 63.23 C ATOM 1085 C ASP A 66 -6.198 -18.292 -1.397 1.00 4.43 C ATOM 1086 O ASP A 66 -6.260 -17.065 -1.259 1.00 52.01 O ATOM 1087 CB ASP A 66 -3.892 -19.182 -0.842 1.00 61.51 C ATOM 1088 CG ASP A 66 -4.433 -20.068 0.298 1.00 31.11 C ATOM 1089 OD1 ASP A 66 -4.412 -21.311 0.154 1.00 53.20 O ATOM 1090 OD2 ASP A 66 -4.884 -19.525 1.336 1.00 33.33 O ATOM 0 H ASP A 66 -5.199 -17.348 -3.345 1.00 60.32 H new ATOM 0 HA ASP A 66 -5.086 -19.873 -2.464 1.00 63.23 H new ATOM 0 HB2 ASP A 66 -3.010 -19.658 -1.269 1.00 61.51 H new ATOM 0 HB3 ASP A 66 -3.569 -18.229 -0.423 1.00 61.51 H new ATOM 1095 N ASP A 67 -7.192 -19.128 -1.049 1.00 12.32 N ATOM 1096 CA ASP A 67 -8.530 -18.663 -0.585 1.00 42.31 C ATOM 1097 C ASP A 67 -8.421 -17.692 0.617 1.00 70.13 C ATOM 1098 O ASP A 67 -9.063 -16.629 0.646 1.00 12.05 O ATOM 1099 CB ASP A 67 -9.404 -19.892 -0.212 1.00 75.54 C ATOM 1100 CG ASP A 67 -10.828 -19.522 0.267 1.00 73.35 C ATOM 1101 OD1 ASP A 67 -11.716 -19.304 -0.586 1.00 64.22 O ATOM 1102 OD2 ASP A 67 -11.067 -19.455 1.495 1.00 72.24 O ATOM 0 H ASP A 67 -7.100 -20.143 -1.078 1.00 12.32 H new ATOM 0 HA ASP A 67 -8.999 -18.112 -1.400 1.00 42.31 H new ATOM 0 HB2 ASP A 67 -9.481 -20.548 -1.079 1.00 75.54 H new ATOM 0 HB3 ASP A 67 -8.902 -20.458 0.573 1.00 75.54 H new ATOM 1107 N ASP A 68 -7.575 -18.076 1.579 1.00 75.22 N ATOM 1108 CA ASP A 68 -7.319 -17.318 2.817 1.00 75.32 C ATOM 1109 C ASP A 68 -6.368 -16.127 2.555 1.00 63.13 C ATOM 1110 O ASP A 68 -6.575 -15.026 3.093 1.00 13.14 O ATOM 1111 CB ASP A 68 -6.761 -18.295 3.893 1.00 31.24 C ATOM 1112 CG ASP A 68 -6.125 -17.612 5.117 1.00 73.21 C ATOM 1113 OD1 ASP A 68 -6.841 -16.904 5.862 1.00 53.20 O ATOM 1114 OD2 ASP A 68 -4.910 -17.809 5.355 1.00 52.11 O ATOM 0 H ASP A 68 -7.036 -18.940 1.521 1.00 75.22 H new ATOM 0 HA ASP A 68 -8.249 -16.886 3.187 1.00 75.32 H new ATOM 0 HB2 ASP A 68 -7.572 -18.939 4.234 1.00 31.24 H new ATOM 0 HB3 ASP A 68 -6.016 -18.940 3.427 1.00 31.24 H new ATOM 1119 N ALA A 69 -5.353 -16.353 1.692 1.00 11.24 N ATOM 1120 CA ALA A 69 -4.345 -15.330 1.337 1.00 43.20 C ATOM 1121 C ALA A 69 -4.964 -14.142 0.579 1.00 0.25 C ATOM 1122 O ALA A 69 -4.472 -13.014 0.672 1.00 44.31 O ATOM 1123 CB ALA A 69 -3.215 -15.952 0.524 1.00 42.30 C ATOM 0 H ALA A 69 -5.210 -17.247 1.223 1.00 11.24 H new ATOM 0 HA ALA A 69 -3.938 -14.941 2.270 1.00 43.20 H new ATOM 0 HB1 ALA A 69 -2.483 -15.185 0.272 1.00 42.30 H new ATOM 0 HB2 ALA A 69 -2.733 -16.735 1.110 1.00 42.30 H new ATOM 0 HB3 ALA A 69 -3.620 -16.382 -0.392 1.00 42.30 H new ATOM 1129 N ARG A 70 -6.040 -14.429 -0.175 1.00 55.10 N ATOM 1130 CA ARG A 70 -6.807 -13.432 -0.930 1.00 40.44 C ATOM 1131 C ARG A 70 -7.442 -12.400 0.013 1.00 73.24 C ATOM 1132 O ARG A 70 -7.345 -11.197 -0.232 1.00 51.25 O ATOM 1133 CB ARG A 70 -7.913 -14.136 -1.765 1.00 41.35 C ATOM 1134 CG ARG A 70 -8.909 -13.175 -2.473 1.00 4.44 C ATOM 1135 CD ARG A 70 -10.149 -13.902 -3.023 1.00 71.12 C ATOM 1136 NE ARG A 70 -11.208 -12.974 -3.463 1.00 31.12 N ATOM 1137 CZ ARG A 70 -12.508 -13.292 -3.584 1.00 62.35 C ATOM 1138 NH1 ARG A 70 -12.950 -14.520 -3.304 1.00 72.52 N ATOM 1139 NH2 ARG A 70 -13.370 -12.377 -3.991 1.00 24.21 N ATOM 0 H ARG A 70 -6.404 -15.377 -0.276 1.00 55.10 H new ATOM 0 HA ARG A 70 -6.124 -12.910 -1.601 1.00 40.44 H new ATOM 0 HB2 ARG A 70 -7.436 -14.762 -2.519 1.00 41.35 H new ATOM 0 HB3 ARG A 70 -8.476 -14.800 -1.109 1.00 41.35 H new ATOM 0 HG2 ARG A 70 -9.227 -12.405 -1.770 1.00 4.44 H new ATOM 0 HG3 ARG A 70 -8.398 -12.668 -3.291 1.00 4.44 H new ATOM 0 HD2 ARG A 70 -9.853 -14.532 -3.862 1.00 71.12 H new ATOM 0 HD3 ARG A 70 -10.548 -14.563 -2.253 1.00 71.12 H new ATOM 0 HE ARG A 70 -10.933 -12.019 -3.693 1.00 31.12 H new ATOM 0 HH11 ARG A 70 -12.297 -15.238 -2.991 1.00 72.52 H new ATOM 0 HH12 ARG A 70 -13.941 -14.740 -3.403 1.00 72.52 H new ATOM 0 HH21 ARG A 70 -13.047 -11.435 -4.212 1.00 24.21 H new ATOM 0 HH22 ARG A 70 -14.358 -12.613 -4.085 1.00 24.21 H new ATOM 1153 N LYS A 71 -8.076 -12.902 1.094 1.00 2.21 N ATOM 1154 CA LYS A 71 -8.844 -12.067 2.035 1.00 43.52 C ATOM 1155 C LYS A 71 -7.930 -11.096 2.795 1.00 71.12 C ATOM 1156 O LYS A 71 -8.263 -9.917 2.956 1.00 63.34 O ATOM 1157 CB LYS A 71 -9.634 -12.948 3.043 1.00 21.31 C ATOM 1158 CG LYS A 71 -10.366 -12.128 4.140 1.00 22.12 C ATOM 1159 CD LYS A 71 -11.281 -12.970 5.054 1.00 1.03 C ATOM 1160 CE LYS A 71 -11.922 -12.122 6.165 1.00 64.44 C ATOM 1161 NZ LYS A 71 -12.875 -12.903 6.994 1.00 71.03 N ATOM 0 H LYS A 71 -8.069 -13.893 1.336 1.00 2.21 H new ATOM 0 HA LYS A 71 -9.552 -11.484 1.447 1.00 43.52 H new ATOM 0 HB2 LYS A 71 -10.365 -13.544 2.497 1.00 21.31 H new ATOM 0 HB3 LYS A 71 -8.946 -13.646 3.520 1.00 21.31 H new ATOM 0 HG2 LYS A 71 -9.623 -11.622 4.756 1.00 22.12 H new ATOM 0 HG3 LYS A 71 -10.964 -11.353 3.660 1.00 22.12 H new ATOM 0 HD2 LYS A 71 -12.064 -13.434 4.455 1.00 1.03 H new ATOM 0 HD3 LYS A 71 -10.702 -13.777 5.502 1.00 1.03 H new ATOM 0 HE2 LYS A 71 -11.139 -11.713 6.804 1.00 64.44 H new ATOM 0 HE3 LYS A 71 -12.443 -11.275 5.718 1.00 64.44 H new ATOM 0 HZ1 LYS A 71 -13.281 -12.289 7.728 1.00 71.03 H new ATOM 0 HZ2 LYS A 71 -13.638 -13.272 6.391 1.00 71.03 H new ATOM 0 HZ3 LYS A 71 -12.375 -13.696 7.444 1.00 71.03 H new ATOM 1175 N LYS A 72 -6.780 -11.608 3.254 1.00 60.12 N ATOM 1176 CA LYS A 72 -5.825 -10.823 4.056 1.00 23.14 C ATOM 1177 C LYS A 72 -5.067 -9.807 3.191 1.00 71.42 C ATOM 1178 O LYS A 72 -4.698 -8.757 3.692 1.00 2.45 O ATOM 1179 CB LYS A 72 -4.848 -11.757 4.806 1.00 54.42 C ATOM 1180 CG LYS A 72 -3.965 -12.644 3.900 1.00 34.24 C ATOM 1181 CD LYS A 72 -3.156 -13.694 4.687 1.00 63.45 C ATOM 1182 CE LYS A 72 -4.052 -14.589 5.561 1.00 31.34 C ATOM 1183 NZ LYS A 72 -3.291 -15.689 6.202 1.00 32.13 N ATOM 0 H LYS A 72 -6.485 -12.569 3.083 1.00 60.12 H new ATOM 0 HA LYS A 72 -6.393 -10.259 4.796 1.00 23.14 H new ATOM 0 HB2 LYS A 72 -4.199 -11.148 5.436 1.00 54.42 H new ATOM 0 HB3 LYS A 72 -5.424 -12.402 5.470 1.00 54.42 H new ATOM 0 HG2 LYS A 72 -4.597 -13.152 3.172 1.00 34.24 H new ATOM 0 HG3 LYS A 72 -3.278 -12.010 3.339 1.00 34.24 H new ATOM 0 HD2 LYS A 72 -2.596 -14.316 3.988 1.00 63.45 H new ATOM 0 HD3 LYS A 72 -2.426 -13.188 5.319 1.00 63.45 H new ATOM 0 HE2 LYS A 72 -4.528 -13.982 6.331 1.00 31.34 H new ATOM 0 HE3 LYS A 72 -4.850 -15.010 4.949 1.00 31.34 H new ATOM 0 HZ1 LYS A 72 -3.701 -16.603 5.923 1.00 32.13 H new ATOM 0 HZ2 LYS A 72 -2.298 -15.648 5.897 1.00 32.13 H new ATOM 0 HZ3 LYS A 72 -3.340 -15.589 7.236 1.00 32.13 H new ATOM 1197 N ALA A 73 -4.840 -10.141 1.901 1.00 34.14 N ATOM 1198 CA ALA A 73 -4.223 -9.223 0.913 1.00 40.01 C ATOM 1199 C ALA A 73 -5.190 -8.079 0.558 1.00 42.25 C ATOM 1200 O ALA A 73 -4.776 -6.922 0.383 1.00 62.20 O ATOM 1201 CB ALA A 73 -3.838 -10.004 -0.350 1.00 72.14 C ATOM 0 H ALA A 73 -5.079 -11.054 1.514 1.00 34.14 H new ATOM 0 HA ALA A 73 -3.325 -8.787 1.352 1.00 40.01 H new ATOM 0 HB1 ALA A 73 -3.385 -9.326 -1.073 1.00 72.14 H new ATOM 0 HB2 ALA A 73 -3.125 -10.787 -0.091 1.00 72.14 H new ATOM 0 HB3 ALA A 73 -4.730 -10.455 -0.785 1.00 72.14 H new ATOM 1207 N LYS A 74 -6.485 -8.448 0.449 1.00 55.12 N ATOM 1208 CA LYS A 74 -7.608 -7.516 0.217 1.00 53.42 C ATOM 1209 C LYS A 74 -7.689 -6.505 1.373 1.00 73.34 C ATOM 1210 O LYS A 74 -7.679 -5.293 1.156 1.00 4.34 O ATOM 1211 CB LYS A 74 -8.933 -8.343 0.041 1.00 21.10 C ATOM 1212 CG LYS A 74 -10.280 -7.550 0.033 1.00 32.23 C ATOM 1213 CD LYS A 74 -10.941 -7.436 1.439 1.00 14.55 C ATOM 1214 CE LYS A 74 -12.323 -6.782 1.394 1.00 43.52 C ATOM 1215 NZ LYS A 74 -12.938 -6.671 2.738 1.00 72.41 N ATOM 0 H LYS A 74 -6.784 -9.421 0.521 1.00 55.12 H new ATOM 0 HA LYS A 74 -7.452 -6.943 -0.697 1.00 53.42 H new ATOM 0 HB2 LYS A 74 -8.863 -8.897 -0.895 1.00 21.10 H new ATOM 0 HB3 LYS A 74 -8.980 -9.079 0.844 1.00 21.10 H new ATOM 0 HG2 LYS A 74 -10.101 -6.548 -0.358 1.00 32.23 H new ATOM 0 HG3 LYS A 74 -10.976 -8.038 -0.649 1.00 32.23 H new ATOM 0 HD2 LYS A 74 -11.029 -8.431 1.876 1.00 14.55 H new ATOM 0 HD3 LYS A 74 -10.291 -6.857 2.095 1.00 14.55 H new ATOM 0 HE2 LYS A 74 -12.238 -5.789 0.953 1.00 43.52 H new ATOM 0 HE3 LYS A 74 -12.977 -7.364 0.745 1.00 43.52 H new ATOM 0 HZ1 LYS A 74 -13.872 -6.222 2.656 1.00 72.41 H new ATOM 0 HZ2 LYS A 74 -13.045 -7.620 3.150 1.00 72.41 H new ATOM 0 HZ3 LYS A 74 -12.329 -6.093 3.352 1.00 72.41 H new ATOM 1229 N LYS A 75 -7.717 -7.057 2.595 1.00 42.33 N ATOM 1230 CA LYS A 75 -7.758 -6.313 3.864 1.00 51.14 C ATOM 1231 C LYS A 75 -6.531 -5.392 4.000 1.00 13.12 C ATOM 1232 O LYS A 75 -6.666 -4.213 4.354 1.00 70.14 O ATOM 1233 CB LYS A 75 -7.817 -7.354 5.025 1.00 64.30 C ATOM 1234 CG LYS A 75 -7.632 -6.803 6.454 1.00 1.21 C ATOM 1235 CD LYS A 75 -7.645 -7.929 7.522 1.00 64.14 C ATOM 1236 CE LYS A 75 -7.262 -7.436 8.928 1.00 1.02 C ATOM 1237 NZ LYS A 75 -5.859 -6.958 8.980 1.00 24.43 N ATOM 0 H LYS A 75 -7.712 -8.068 2.732 1.00 42.33 H new ATOM 0 HA LYS A 75 -8.638 -5.670 3.898 1.00 51.14 H new ATOM 0 HB2 LYS A 75 -8.779 -7.863 4.978 1.00 64.30 H new ATOM 0 HB3 LYS A 75 -7.049 -8.107 4.848 1.00 64.30 H new ATOM 0 HG2 LYS A 75 -6.689 -6.259 6.513 1.00 1.21 H new ATOM 0 HG3 LYS A 75 -8.426 -6.089 6.672 1.00 1.21 H new ATOM 0 HD2 LYS A 75 -8.639 -8.374 7.559 1.00 64.14 H new ATOM 0 HD3 LYS A 75 -6.954 -8.716 7.219 1.00 64.14 H new ATOM 0 HE2 LYS A 75 -7.932 -6.630 9.226 1.00 1.02 H new ATOM 0 HE3 LYS A 75 -7.398 -8.245 9.646 1.00 1.02 H new ATOM 0 HZ1 LYS A 75 -5.338 -7.488 9.707 1.00 24.43 H new ATOM 0 HZ2 LYS A 75 -5.408 -7.105 8.055 1.00 24.43 H new ATOM 0 HZ3 LYS A 75 -5.846 -5.945 9.214 1.00 24.43 H new ATOM 1251 N TRP A 76 -5.363 -5.949 3.631 1.00 41.44 N ATOM 1252 CA TRP A 76 -4.042 -5.334 3.823 1.00 61.35 C ATOM 1253 C TRP A 76 -3.931 -3.970 3.128 1.00 14.33 C ATOM 1254 O TRP A 76 -3.689 -2.959 3.784 1.00 53.45 O ATOM 1255 CB TRP A 76 -2.955 -6.297 3.269 1.00 15.32 C ATOM 1256 CG TRP A 76 -1.535 -5.846 3.475 1.00 4.51 C ATOM 1257 CD1 TRP A 76 -0.784 -6.012 4.597 1.00 53.44 C ATOM 1258 CD2 TRP A 76 -0.691 -5.157 2.532 1.00 35.33 C ATOM 1259 NE1 TRP A 76 0.457 -5.480 4.406 1.00 11.30 N ATOM 1260 CE2 TRP A 76 0.536 -4.948 3.164 1.00 3.45 C ATOM 1261 CE3 TRP A 76 -0.861 -4.691 1.224 1.00 33.41 C ATOM 1262 CZ2 TRP A 76 1.596 -4.315 2.550 1.00 21.43 C ATOM 1263 CZ3 TRP A 76 0.195 -4.056 0.600 1.00 13.43 C ATOM 1264 CH2 TRP A 76 1.415 -3.866 1.267 1.00 24.21 C ATOM 0 H TRP A 76 -5.313 -6.862 3.180 1.00 41.44 H new ATOM 0 HA TRP A 76 -3.898 -5.164 4.890 1.00 61.35 H new ATOM 0 HB2 TRP A 76 -3.082 -7.272 3.740 1.00 15.32 H new ATOM 0 HB3 TRP A 76 -3.124 -6.435 2.201 1.00 15.32 H new ATOM 0 HD1 TRP A 76 -1.120 -6.493 5.504 1.00 53.44 H new ATOM 0 HE1 TRP A 76 1.210 -5.483 5.094 1.00 11.30 H new ATOM 0 HE3 TRP A 76 -1.802 -4.825 0.711 1.00 33.41 H new ATOM 0 HZ2 TRP A 76 2.537 -4.177 3.062 1.00 21.43 H new ATOM 0 HZ3 TRP A 76 0.080 -3.701 -0.414 1.00 13.43 H new ATOM 0 HH2 TRP A 76 2.224 -3.358 0.762 1.00 24.21 H new ATOM 1275 N ALA A 77 -4.153 -3.962 1.792 1.00 60.15 N ATOM 1276 CA ALA A 77 -3.921 -2.778 0.941 1.00 11.11 C ATOM 1277 C ALA A 77 -4.865 -1.624 1.290 1.00 34.30 C ATOM 1278 O ALA A 77 -4.510 -0.460 1.104 1.00 11.52 O ATOM 1279 CB ALA A 77 -4.039 -3.145 -0.537 1.00 52.12 C ATOM 0 H ALA A 77 -4.496 -4.774 1.279 1.00 60.15 H new ATOM 0 HA ALA A 77 -2.905 -2.434 1.136 1.00 11.11 H new ATOM 0 HB1 ALA A 77 -3.865 -2.259 -1.147 1.00 52.12 H new ATOM 0 HB2 ALA A 77 -3.299 -3.906 -0.783 1.00 52.12 H new ATOM 0 HB3 ALA A 77 -5.038 -3.532 -0.737 1.00 52.12 H new ATOM 1285 N LEU A 78 -6.072 -1.974 1.770 1.00 13.13 N ATOM 1286 CA LEU A 78 -7.065 -0.999 2.250 1.00 62.12 C ATOM 1287 C LEU A 78 -6.538 -0.271 3.500 1.00 2.24 C ATOM 1288 O LEU A 78 -6.620 0.957 3.599 1.00 70.01 O ATOM 1289 CB LEU A 78 -8.400 -1.716 2.579 1.00 3.52 C ATOM 1290 CG LEU A 78 -9.065 -2.471 1.392 1.00 22.44 C ATOM 1291 CD1 LEU A 78 -10.342 -3.222 1.829 1.00 62.52 C ATOM 1292 CD2 LEU A 78 -9.338 -1.512 0.225 1.00 71.01 C ATOM 0 H LEU A 78 -6.386 -2.942 1.836 1.00 13.13 H new ATOM 0 HA LEU A 78 -7.241 -0.265 1.464 1.00 62.12 H new ATOM 0 HB2 LEU A 78 -8.221 -2.428 3.385 1.00 3.52 H new ATOM 0 HB3 LEU A 78 -9.106 -0.977 2.958 1.00 3.52 H new ATOM 0 HG LEU A 78 -8.363 -3.229 1.045 1.00 22.44 H new ATOM 0 HD11 LEU A 78 -10.774 -3.735 0.970 1.00 62.52 H new ATOM 0 HD12 LEU A 78 -10.090 -3.952 2.598 1.00 62.52 H new ATOM 0 HD13 LEU A 78 -11.065 -2.510 2.227 1.00 62.52 H new ATOM 0 HD21 LEU A 78 -9.803 -2.060 -0.595 1.00 71.01 H new ATOM 0 HD22 LEU A 78 -10.007 -0.717 0.556 1.00 71.01 H new ATOM 0 HD23 LEU A 78 -8.398 -1.077 -0.116 1.00 71.01 H new ATOM 1304 N GLU A 79 -5.983 -1.067 4.439 1.00 65.02 N ATOM 1305 CA GLU A 79 -5.425 -0.561 5.707 1.00 44.21 C ATOM 1306 C GLU A 79 -4.234 0.357 5.441 1.00 52.20 C ATOM 1307 O GLU A 79 -4.212 1.465 5.950 1.00 31.33 O ATOM 1308 CB GLU A 79 -5.015 -1.722 6.642 1.00 70.44 C ATOM 1309 CG GLU A 79 -6.186 -2.633 7.062 1.00 23.30 C ATOM 1310 CD GLU A 79 -5.738 -3.873 7.840 1.00 40.45 C ATOM 1311 OE1 GLU A 79 -4.936 -4.658 7.296 1.00 33.34 O ATOM 1312 OE2 GLU A 79 -6.182 -4.079 8.991 1.00 21.14 O ATOM 0 H GLU A 79 -5.910 -2.079 4.337 1.00 65.02 H new ATOM 0 HA GLU A 79 -6.203 0.014 6.208 1.00 44.21 H new ATOM 0 HB2 GLU A 79 -4.258 -2.327 6.142 1.00 70.44 H new ATOM 0 HB3 GLU A 79 -4.552 -1.307 7.537 1.00 70.44 H new ATOM 0 HG2 GLU A 79 -6.882 -2.060 7.675 1.00 23.30 H new ATOM 0 HG3 GLU A 79 -6.730 -2.948 6.172 1.00 23.30 H new ATOM 1319 N VAL A 80 -3.292 -0.118 4.592 1.00 23.12 N ATOM 1320 CA VAL A 80 -2.077 0.626 4.187 1.00 45.43 C ATOM 1321 C VAL A 80 -2.439 1.977 3.535 1.00 11.13 C ATOM 1322 O VAL A 80 -1.869 3.014 3.892 1.00 21.23 O ATOM 1323 CB VAL A 80 -1.211 -0.231 3.177 1.00 33.44 C ATOM 1324 CG1 VAL A 80 0.034 0.540 2.672 1.00 62.41 C ATOM 1325 CG2 VAL A 80 -0.794 -1.578 3.804 1.00 43.54 C ATOM 0 H VAL A 80 -3.356 -1.041 4.164 1.00 23.12 H new ATOM 0 HA VAL A 80 -1.496 0.819 5.089 1.00 45.43 H new ATOM 0 HB VAL A 80 -1.845 -0.431 2.313 1.00 33.44 H new ATOM 0 HG11 VAL A 80 0.596 -0.089 1.982 1.00 62.41 H new ATOM 0 HG12 VAL A 80 -0.284 1.448 2.159 1.00 62.41 H new ATOM 0 HG13 VAL A 80 0.667 0.805 3.519 1.00 62.41 H new ATOM 0 HG21 VAL A 80 -0.200 -2.145 3.087 1.00 43.54 H new ATOM 0 HG22 VAL A 80 -0.202 -1.394 4.700 1.00 43.54 H new ATOM 0 HG23 VAL A 80 -1.685 -2.148 4.068 1.00 43.54 H new ATOM 1335 N ALA A 81 -3.413 1.932 2.602 1.00 5.22 N ATOM 1336 CA ALA A 81 -3.884 3.105 1.845 1.00 63.32 C ATOM 1337 C ALA A 81 -4.371 4.226 2.782 1.00 32.22 C ATOM 1338 O ALA A 81 -3.919 5.377 2.696 1.00 11.11 O ATOM 1339 CB ALA A 81 -5.008 2.673 0.892 1.00 14.54 C ATOM 0 H ALA A 81 -3.898 1.070 2.352 1.00 5.22 H new ATOM 0 HA ALA A 81 -3.049 3.506 1.270 1.00 63.32 H new ATOM 0 HB1 ALA A 81 -5.360 3.538 0.329 1.00 14.54 H new ATOM 0 HB2 ALA A 81 -4.630 1.920 0.201 1.00 14.54 H new ATOM 0 HB3 ALA A 81 -5.833 2.255 1.468 1.00 14.54 H new ATOM 1345 N ASN A 82 -5.263 3.839 3.705 1.00 14.23 N ATOM 1346 CA ASN A 82 -5.864 4.747 4.693 1.00 40.44 C ATOM 1347 C ASN A 82 -4.875 5.093 5.825 1.00 43.31 C ATOM 1348 O ASN A 82 -5.017 6.138 6.461 1.00 32.34 O ATOM 1349 CB ASN A 82 -7.180 4.143 5.260 1.00 53.11 C ATOM 1350 CG ASN A 82 -8.347 4.170 4.245 1.00 44.24 C ATOM 1351 OD1 ASN A 82 -9.030 5.184 4.086 1.00 53.20 O ATOM 1352 ND2 ASN A 82 -8.614 3.057 3.588 1.00 13.02 N ATOM 0 H ASN A 82 -5.591 2.877 3.788 1.00 14.23 H new ATOM 0 HA ASN A 82 -6.107 5.680 4.184 1.00 40.44 H new ATOM 0 HB2 ASN A 82 -6.997 3.113 5.567 1.00 53.11 H new ATOM 0 HB3 ASN A 82 -7.471 4.695 6.154 1.00 53.11 H new ATOM 0 HD21 ASN A 82 -9.397 3.026 2.935 1.00 13.02 H new ATOM 0 HD22 ASN A 82 -8.037 2.228 3.733 1.00 13.02 H new ATOM 1359 N LYS A 83 -3.890 4.197 6.084 1.00 0.41 N ATOM 1360 CA LYS A 83 -2.891 4.364 7.171 1.00 40.03 C ATOM 1361 C LYS A 83 -2.013 5.586 6.857 1.00 61.12 C ATOM 1362 O LYS A 83 -1.885 6.492 7.684 1.00 11.44 O ATOM 1363 CB LYS A 83 -2.010 3.063 7.334 1.00 42.34 C ATOM 1364 CG LYS A 83 -1.528 2.739 8.774 1.00 25.13 C ATOM 1365 CD LYS A 83 -0.489 3.738 9.336 1.00 5.41 C ATOM 1366 CE LYS A 83 -0.030 3.370 10.756 1.00 60.24 C ATOM 1367 NZ LYS A 83 0.964 4.335 11.287 1.00 4.45 N ATOM 0 H LYS A 83 -3.765 3.339 5.546 1.00 0.41 H new ATOM 0 HA LYS A 83 -3.409 4.524 8.116 1.00 40.03 H new ATOM 0 HB2 LYS A 83 -2.583 2.212 6.965 1.00 42.34 H new ATOM 0 HB3 LYS A 83 -1.134 3.160 6.693 1.00 42.34 H new ATOM 0 HG2 LYS A 83 -2.392 2.719 9.438 1.00 25.13 H new ATOM 0 HG3 LYS A 83 -1.095 1.739 8.784 1.00 25.13 H new ATOM 0 HD2 LYS A 83 0.376 3.769 8.674 1.00 5.41 H new ATOM 0 HD3 LYS A 83 -0.920 4.739 9.344 1.00 5.41 H new ATOM 0 HE2 LYS A 83 -0.894 3.338 11.419 1.00 60.24 H new ATOM 0 HE3 LYS A 83 0.404 2.370 10.749 1.00 60.24 H new ATOM 0 HZ1 LYS A 83 1.526 3.879 12.033 1.00 4.45 H new ATOM 0 HZ2 LYS A 83 1.593 4.643 10.519 1.00 4.45 H new ATOM 0 HZ3 LYS A 83 0.470 5.161 11.682 1.00 4.45 H new ATOM 1381 N ILE A 84 -1.460 5.596 5.623 1.00 11.24 N ATOM 1382 CA ILE A 84 -0.606 6.684 5.118 1.00 60.23 C ATOM 1383 C ILE A 84 -1.418 7.999 5.053 1.00 32.31 C ATOM 1384 O ILE A 84 -0.948 9.041 5.513 1.00 54.24 O ATOM 1385 CB ILE A 84 -0.007 6.329 3.694 1.00 64.41 C ATOM 1386 CG1 ILE A 84 0.770 4.970 3.736 1.00 55.21 C ATOM 1387 CG2 ILE A 84 0.912 7.462 3.168 1.00 63.35 C ATOM 1388 CD1 ILE A 84 1.161 4.407 2.374 1.00 52.10 C ATOM 0 H ILE A 84 -1.597 4.843 4.949 1.00 11.24 H new ATOM 0 HA ILE A 84 0.230 6.814 5.805 1.00 60.23 H new ATOM 0 HB ILE A 84 -0.844 6.227 3.004 1.00 64.41 H new ATOM 0 HG12 ILE A 84 1.674 5.104 4.330 1.00 55.21 H new ATOM 0 HG13 ILE A 84 0.155 4.234 4.254 1.00 55.21 H new ATOM 0 HG21 ILE A 84 1.306 7.186 2.190 1.00 63.35 H new ATOM 0 HG22 ILE A 84 0.339 8.385 3.081 1.00 63.35 H new ATOM 0 HG23 ILE A 84 1.738 7.612 3.863 1.00 63.35 H new ATOM 0 HD11 ILE A 84 1.694 3.466 2.509 1.00 52.10 H new ATOM 0 HD12 ILE A 84 0.263 4.234 1.780 1.00 52.10 H new ATOM 0 HD13 ILE A 84 1.806 5.118 1.858 1.00 52.10 H new ATOM 1400 N ALA A 85 -2.670 7.904 4.543 1.00 44.21 N ATOM 1401 CA ALA A 85 -3.599 9.054 4.442 1.00 23.33 C ATOM 1402 C ALA A 85 -3.895 9.675 5.824 1.00 34.43 C ATOM 1403 O ALA A 85 -4.042 10.892 5.943 1.00 23.21 O ATOM 1404 CB ALA A 85 -4.908 8.627 3.753 1.00 74.35 C ATOM 0 H ALA A 85 -3.062 7.031 4.191 1.00 44.21 H new ATOM 0 HA ALA A 85 -3.112 9.818 3.836 1.00 23.33 H new ATOM 0 HB1 ALA A 85 -5.580 9.483 3.686 1.00 74.35 H new ATOM 0 HB2 ALA A 85 -4.688 8.259 2.751 1.00 74.35 H new ATOM 0 HB3 ALA A 85 -5.384 7.837 4.334 1.00 74.35 H new ATOM 1410 N ASN A 86 -3.968 8.813 6.855 1.00 31.20 N ATOM 1411 CA ASN A 86 -4.286 9.218 8.240 1.00 52.45 C ATOM 1412 C ASN A 86 -3.065 9.852 8.917 1.00 3.12 C ATOM 1413 O ASN A 86 -3.212 10.808 9.681 1.00 12.44 O ATOM 1414 CB ASN A 86 -4.806 8.009 9.057 1.00 41.40 C ATOM 1415 CG ASN A 86 -5.295 8.381 10.468 1.00 23.54 C ATOM 1416 OD1 ASN A 86 -4.577 8.229 11.457 1.00 51.21 O ATOM 1417 ND2 ASN A 86 -6.501 8.908 10.566 1.00 23.03 N ATOM 0 H ASN A 86 -3.808 7.811 6.752 1.00 31.20 H new ATOM 0 HA ASN A 86 -5.076 9.968 8.203 1.00 52.45 H new ATOM 0 HB2 ASN A 86 -5.623 7.537 8.511 1.00 41.40 H new ATOM 0 HB3 ASN A 86 -4.010 7.269 9.141 1.00 41.40 H new ATOM 0 HD21 ASN A 86 -6.858 9.200 11.476 1.00 23.03 H new ATOM 0 HD22 ASN A 86 -7.076 9.023 9.732 1.00 23.03 H new ATOM 1424 N GLU A 87 -1.860 9.304 8.622 1.00 5.53 N ATOM 1425 CA GLU A 87 -0.578 9.836 9.145 1.00 21.54 C ATOM 1426 C GLU A 87 -0.389 11.300 8.737 1.00 4.01 C ATOM 1427 O GLU A 87 0.019 12.134 9.542 1.00 3.41 O ATOM 1428 CB GLU A 87 0.633 8.997 8.634 1.00 44.12 C ATOM 1429 CG GLU A 87 0.730 7.576 9.213 1.00 21.54 C ATOM 1430 CD GLU A 87 0.717 7.551 10.754 1.00 5.11 C ATOM 1431 OE1 GLU A 87 1.695 8.023 11.372 1.00 61.51 O ATOM 1432 OE2 GLU A 87 -0.263 7.053 11.352 1.00 25.51 O ATOM 0 H GLU A 87 -1.750 8.488 8.020 1.00 5.53 H new ATOM 0 HA GLU A 87 -0.619 9.768 10.232 1.00 21.54 H new ATOM 0 HB2 GLU A 87 0.575 8.927 7.548 1.00 44.12 H new ATOM 0 HB3 GLU A 87 1.552 9.533 8.870 1.00 44.12 H new ATOM 0 HG2 GLU A 87 -0.102 6.980 8.838 1.00 21.54 H new ATOM 0 HG3 GLU A 87 1.646 7.106 8.855 1.00 21.54 H new ATOM 1439 N LEU A 88 -0.713 11.580 7.475 1.00 22.24 N ATOM 1440 CA LEU A 88 -0.483 12.884 6.844 1.00 12.12 C ATOM 1441 C LEU A 88 -1.673 13.828 7.065 1.00 20.34 C ATOM 1442 O LEU A 88 -1.487 15.035 7.192 1.00 42.25 O ATOM 1443 CB LEU A 88 -0.242 12.648 5.333 1.00 71.51 C ATOM 1444 CG LEU A 88 0.833 11.566 5.000 1.00 23.51 C ATOM 1445 CD1 LEU A 88 0.784 11.186 3.518 1.00 11.01 C ATOM 1446 CD2 LEU A 88 2.251 11.991 5.443 1.00 31.32 C ATOM 0 H LEU A 88 -1.149 10.900 6.852 1.00 22.24 H new ATOM 0 HA LEU A 88 0.387 13.362 7.294 1.00 12.12 H new ATOM 0 HB2 LEU A 88 -1.185 12.357 4.871 1.00 71.51 H new ATOM 0 HB3 LEU A 88 0.059 13.591 4.876 1.00 71.51 H new ATOM 0 HG LEU A 88 0.589 10.675 5.579 1.00 23.51 H new ATOM 0 HD11 LEU A 88 1.542 10.431 3.311 1.00 11.01 H new ATOM 0 HD12 LEU A 88 -0.201 10.787 3.277 1.00 11.01 H new ATOM 0 HD13 LEU A 88 0.976 12.070 2.909 1.00 11.01 H new ATOM 0 HD21 LEU A 88 2.962 11.205 5.189 1.00 31.32 H new ATOM 0 HD22 LEU A 88 2.531 12.912 4.932 1.00 31.32 H new ATOM 0 HD23 LEU A 88 2.261 12.156 6.520 1.00 31.32 H new ATOM 1458 N GLY A 89 -2.890 13.252 7.134 1.00 54.43 N ATOM 1459 CA GLY A 89 -4.125 14.038 7.133 1.00 60.14 C ATOM 1460 C GLY A 89 -4.406 14.585 5.739 1.00 4.33 C ATOM 1461 O GLY A 89 -4.612 15.788 5.556 1.00 14.12 O ATOM 0 H GLY A 89 -3.036 12.244 7.191 1.00 54.43 H new ATOM 0 HA2 GLY A 89 -4.959 13.417 7.462 1.00 60.14 H new ATOM 0 HA3 GLY A 89 -4.040 14.861 7.843 1.00 60.14 H new ATOM 1465 N ALA A 90 -4.400 13.676 4.749 1.00 14.22 N ATOM 1466 CA ALA A 90 -4.449 14.021 3.311 1.00 43.12 C ATOM 1467 C ALA A 90 -5.705 13.436 2.637 1.00 25.03 C ATOM 1468 O ALA A 90 -6.520 12.766 3.289 1.00 53.31 O ATOM 1469 CB ALA A 90 -3.164 13.511 2.627 1.00 12.22 C ATOM 0 H ALA A 90 -4.361 12.672 4.922 1.00 14.22 H new ATOM 0 HA ALA A 90 -4.508 15.104 3.207 1.00 43.12 H new ATOM 0 HB1 ALA A 90 -3.192 13.761 1.567 1.00 12.22 H new ATOM 0 HB2 ALA A 90 -2.295 13.981 3.088 1.00 12.22 H new ATOM 0 HB3 ALA A 90 -3.095 12.429 2.743 1.00 12.22 H new ATOM 1475 N LYS A 91 -5.837 13.717 1.320 1.00 3.33 N ATOM 1476 CA LYS A 91 -6.910 13.188 0.450 1.00 72.24 C ATOM 1477 C LYS A 91 -6.909 11.638 0.471 1.00 12.25 C ATOM 1478 O LYS A 91 -5.857 11.010 0.667 1.00 62.12 O ATOM 1479 CB LYS A 91 -6.693 13.748 -0.988 1.00 62.34 C ATOM 1480 CG LYS A 91 -7.745 13.362 -2.058 1.00 74.14 C ATOM 1481 CD LYS A 91 -9.135 13.985 -1.793 1.00 14.22 C ATOM 1482 CE LYS A 91 -10.132 13.727 -2.940 1.00 24.42 C ATOM 1483 NZ LYS A 91 -9.720 14.382 -4.213 1.00 22.10 N ATOM 0 H LYS A 91 -5.189 14.329 0.824 1.00 3.33 H new ATOM 0 HA LYS A 91 -7.887 13.507 0.813 1.00 72.24 H new ATOM 0 HB2 LYS A 91 -6.656 14.836 -0.926 1.00 62.34 H new ATOM 0 HB3 LYS A 91 -5.716 13.415 -1.338 1.00 62.34 H new ATOM 0 HG2 LYS A 91 -7.391 13.681 -3.038 1.00 74.14 H new ATOM 0 HG3 LYS A 91 -7.840 12.277 -2.091 1.00 74.14 H new ATOM 0 HD2 LYS A 91 -9.540 13.578 -0.867 1.00 14.22 H new ATOM 0 HD3 LYS A 91 -9.025 15.060 -1.648 1.00 14.22 H new ATOM 0 HE2 LYS A 91 -10.225 12.653 -3.101 1.00 24.42 H new ATOM 0 HE3 LYS A 91 -11.117 14.092 -2.650 1.00 24.42 H new ATOM 0 HZ1 LYS A 91 -10.405 15.125 -4.459 1.00 22.10 H new ATOM 0 HZ2 LYS A 91 -8.777 14.805 -4.096 1.00 22.10 H new ATOM 0 HZ3 LYS A 91 -9.690 13.674 -4.974 1.00 22.10 H new ATOM 1497 N GLN A 92 -8.094 11.033 0.282 1.00 41.33 N ATOM 1498 CA GLN A 92 -8.290 9.580 0.470 1.00 75.01 C ATOM 1499 C GLN A 92 -7.907 8.768 -0.772 1.00 73.15 C ATOM 1500 O GLN A 92 -7.576 9.310 -1.834 1.00 25.22 O ATOM 1501 CB GLN A 92 -9.756 9.283 0.892 1.00 2.22 C ATOM 1502 CG GLN A 92 -10.192 9.967 2.203 1.00 54.22 C ATOM 1503 CD GLN A 92 -9.328 9.572 3.409 1.00 3.34 C ATOM 1504 OE1 GLN A 92 -9.618 8.600 4.112 1.00 34.12 O ATOM 1505 NE2 GLN A 92 -8.259 10.322 3.656 1.00 52.30 N ATOM 0 H GLN A 92 -8.938 11.530 -0.003 1.00 41.33 H new ATOM 0 HA GLN A 92 -7.618 9.266 1.268 1.00 75.01 H new ATOM 0 HB2 GLN A 92 -10.423 9.601 0.091 1.00 2.22 H new ATOM 0 HB3 GLN A 92 -9.879 8.205 1.000 1.00 2.22 H new ATOM 0 HG2 GLN A 92 -10.149 11.048 2.072 1.00 54.22 H new ATOM 0 HG3 GLN A 92 -11.231 9.712 2.410 1.00 54.22 H new ATOM 0 HE21 GLN A 92 -8.046 11.119 3.056 1.00 52.30 H new ATOM 0 HE22 GLN A 92 -7.652 10.100 4.445 1.00 52.30 H new ATOM 1514 N SER A 93 -7.954 7.446 -0.597 1.00 62.23 N ATOM 1515 CA SER A 93 -7.587 6.468 -1.617 1.00 53.04 C ATOM 1516 C SER A 93 -8.832 5.970 -2.365 1.00 62.00 C ATOM 1517 O SER A 93 -9.933 5.933 -1.803 1.00 11.34 O ATOM 1518 CB SER A 93 -6.888 5.281 -0.926 1.00 2.45 C ATOM 1519 OG SER A 93 -5.872 5.734 -0.047 1.00 51.33 O ATOM 0 H SER A 93 -8.255 7.018 0.279 1.00 62.23 H new ATOM 0 HA SER A 93 -6.919 6.934 -2.341 1.00 53.04 H new ATOM 0 HB2 SER A 93 -7.621 4.696 -0.370 1.00 2.45 H new ATOM 0 HB3 SER A 93 -6.456 4.620 -1.678 1.00 2.45 H new ATOM 0 HG SER A 93 -6.148 5.578 0.880 1.00 51.33 H new ATOM 1525 N THR A 94 -8.641 5.623 -3.636 1.00 20.40 N ATOM 1526 CA THR A 94 -9.588 4.820 -4.412 1.00 23.34 C ATOM 1527 C THR A 94 -9.065 3.366 -4.459 1.00 62.21 C ATOM 1528 O THR A 94 -7.850 3.136 -4.498 1.00 4.30 O ATOM 1529 CB THR A 94 -9.788 5.406 -5.855 1.00 60.22 C ATOM 1530 OG1 THR A 94 -10.742 4.614 -6.584 1.00 44.52 O ATOM 1531 CG2 THR A 94 -8.474 5.501 -6.651 1.00 51.20 C ATOM 0 H THR A 94 -7.812 5.895 -4.165 1.00 20.40 H new ATOM 0 HA THR A 94 -10.567 4.842 -3.933 1.00 23.34 H new ATOM 0 HB THR A 94 -10.163 6.422 -5.731 1.00 60.22 H new ATOM 0 HG1 THR A 94 -10.861 4.989 -7.482 1.00 44.52 H new ATOM 0 HG21 THR A 94 -8.676 5.913 -7.640 1.00 51.20 H new ATOM 0 HG22 THR A 94 -7.775 6.150 -6.124 1.00 51.20 H new ATOM 0 HG23 THR A 94 -8.039 4.507 -6.754 1.00 51.20 H new ATOM 1539 N THR A 95 -9.979 2.390 -4.428 1.00 15.10 N ATOM 1540 CA THR A 95 -9.630 0.962 -4.390 1.00 74.45 C ATOM 1541 C THR A 95 -10.458 0.169 -5.409 1.00 73.40 C ATOM 1542 O THR A 95 -11.656 0.417 -5.588 1.00 42.52 O ATOM 1543 CB THR A 95 -9.817 0.366 -2.958 1.00 53.10 C ATOM 1544 OG1 THR A 95 -9.499 -1.037 -2.970 1.00 14.00 O ATOM 1545 CG2 THR A 95 -11.242 0.584 -2.398 1.00 23.51 C ATOM 0 H THR A 95 -10.984 2.566 -4.428 1.00 15.10 H new ATOM 0 HA THR A 95 -8.576 0.877 -4.656 1.00 74.45 H new ATOM 0 HB THR A 95 -9.134 0.899 -2.296 1.00 53.10 H new ATOM 0 HG1 THR A 95 -10.284 -1.553 -2.691 1.00 14.00 H new ATOM 0 HG21 THR A 95 -11.312 0.149 -1.401 1.00 23.51 H new ATOM 0 HG22 THR A 95 -11.452 1.652 -2.343 1.00 23.51 H new ATOM 0 HG23 THR A 95 -11.968 0.105 -3.055 1.00 23.51 H new ATOM 1553 N THR A 96 -9.794 -0.775 -6.084 1.00 21.42 N ATOM 1554 CA THR A 96 -10.393 -1.620 -7.115 1.00 31.52 C ATOM 1555 C THR A 96 -9.963 -3.078 -6.901 1.00 64.24 C ATOM 1556 O THR A 96 -8.775 -3.406 -7.034 1.00 12.25 O ATOM 1557 CB THR A 96 -9.965 -1.146 -8.545 1.00 11.14 C ATOM 1558 OG1 THR A 96 -10.317 0.238 -8.719 1.00 40.00 O ATOM 1559 CG2 THR A 96 -10.619 -1.981 -9.669 1.00 22.53 C ATOM 0 H THR A 96 -8.807 -0.975 -5.924 1.00 21.42 H new ATOM 0 HA THR A 96 -11.478 -1.542 -7.038 1.00 31.52 H new ATOM 0 HB THR A 96 -8.886 -1.282 -8.619 1.00 11.14 H new ATOM 0 HG1 THR A 96 -10.047 0.534 -9.613 1.00 40.00 H new ATOM 0 HG21 THR A 96 -10.287 -1.609 -10.638 1.00 22.53 H new ATOM 0 HG22 THR A 96 -10.328 -3.026 -9.562 1.00 22.53 H new ATOM 0 HG23 THR A 96 -11.704 -1.898 -9.600 1.00 22.53 H new ATOM 1567 N THR A 97 -10.915 -3.945 -6.529 1.00 23.14 N ATOM 1568 CA THR A 97 -10.705 -5.393 -6.557 1.00 5.33 C ATOM 1569 C THR A 97 -11.312 -5.947 -7.863 1.00 13.33 C ATOM 1570 O THR A 97 -12.535 -6.053 -8.021 1.00 11.25 O ATOM 1571 CB THR A 97 -11.279 -6.105 -5.271 1.00 35.34 C ATOM 1572 OG1 THR A 97 -11.159 -7.531 -5.390 1.00 14.43 O ATOM 1573 CG2 THR A 97 -12.741 -5.728 -4.954 1.00 63.42 C ATOM 0 H THR A 97 -11.840 -3.664 -6.205 1.00 23.14 H new ATOM 0 HA THR A 97 -9.636 -5.606 -6.542 1.00 5.33 H new ATOM 0 HB THR A 97 -10.676 -5.747 -4.437 1.00 35.34 H new ATOM 0 HG1 THR A 97 -11.518 -7.958 -4.584 1.00 14.43 H new ATOM 0 HG21 THR A 97 -13.067 -6.256 -4.057 1.00 63.42 H new ATOM 0 HG22 THR A 97 -12.812 -4.653 -4.788 1.00 63.42 H new ATOM 0 HG23 THR A 97 -13.379 -6.009 -5.792 1.00 63.42 H new ATOM 1581 N ASP A 98 -10.431 -6.252 -8.822 1.00 22.51 N ATOM 1582 CA ASP A 98 -10.809 -6.833 -10.129 1.00 42.30 C ATOM 1583 C ASP A 98 -10.834 -8.363 -10.008 1.00 22.15 C ATOM 1584 O ASP A 98 -10.272 -8.909 -9.051 1.00 64.41 O ATOM 1585 CB ASP A 98 -9.820 -6.343 -11.230 1.00 60.14 C ATOM 1586 CG ASP A 98 -10.014 -7.023 -12.602 1.00 21.54 C ATOM 1587 OD1 ASP A 98 -11.077 -6.821 -13.228 1.00 73.21 O ATOM 1588 OD2 ASP A 98 -9.116 -7.770 -13.055 1.00 23.30 O ATOM 0 H ASP A 98 -9.427 -6.104 -8.719 1.00 22.51 H new ATOM 0 HA ASP A 98 -11.806 -6.502 -10.421 1.00 42.30 H new ATOM 0 HB2 ASP A 98 -9.934 -5.266 -11.352 1.00 60.14 H new ATOM 0 HB3 ASP A 98 -8.799 -6.519 -10.891 1.00 60.14 H new ATOM 1593 N GLY A 99 -11.529 -9.046 -10.947 1.00 25.34 N ATOM 1594 CA GLY A 99 -11.593 -10.512 -10.967 1.00 51.23 C ATOM 1595 C GLY A 99 -10.210 -11.157 -10.953 1.00 1.34 C ATOM 1596 O GLY A 99 -9.934 -12.061 -10.149 1.00 53.53 O ATOM 0 H GLY A 99 -12.052 -8.597 -11.699 1.00 25.34 H new ATOM 0 HA2 GLY A 99 -12.161 -10.860 -10.104 1.00 51.23 H new ATOM 0 HA3 GLY A 99 -12.133 -10.837 -11.856 1.00 51.23 H new ATOM 1600 N ASP A 100 -9.313 -10.628 -11.797 1.00 74.24 N ATOM 1601 CA ASP A 100 -7.912 -11.068 -11.865 1.00 32.15 C ATOM 1602 C ASP A 100 -7.035 -10.207 -10.935 1.00 52.33 C ATOM 1603 O ASP A 100 -6.547 -10.685 -9.917 1.00 40.33 O ATOM 1604 CB ASP A 100 -7.390 -11.002 -13.322 1.00 41.35 C ATOM 1605 CG ASP A 100 -5.908 -11.433 -13.444 1.00 41.22 C ATOM 1606 OD1 ASP A 100 -5.640 -12.652 -13.573 1.00 63.03 O ATOM 1607 OD2 ASP A 100 -5.010 -10.556 -13.420 1.00 71.45 O ATOM 0 H ASP A 100 -9.539 -9.881 -12.454 1.00 74.24 H new ATOM 0 HA ASP A 100 -7.858 -12.104 -11.530 1.00 32.15 H new ATOM 0 HB2 ASP A 100 -8.004 -11.644 -13.953 1.00 41.35 H new ATOM 0 HB3 ASP A 100 -7.501 -9.985 -13.698 1.00 41.35 H new ATOM 1612 N THR A 101 -6.877 -8.920 -11.292 1.00 64.42 N ATOM 1613 CA THR A 101 -5.919 -7.999 -10.643 1.00 64.30 C ATOM 1614 C THR A 101 -6.526 -7.366 -9.358 1.00 20.33 C ATOM 1615 O THR A 101 -7.718 -7.516 -9.071 1.00 71.42 O ATOM 1616 CB THR A 101 -5.473 -6.888 -11.677 1.00 61.23 C ATOM 1617 OG1 THR A 101 -5.302 -7.486 -12.980 1.00 34.20 O ATOM 1618 CG2 THR A 101 -4.147 -6.199 -11.284 1.00 53.45 C ATOM 0 H THR A 101 -7.412 -8.484 -12.043 1.00 64.42 H new ATOM 0 HA THR A 101 -5.040 -8.564 -10.333 1.00 64.30 H new ATOM 0 HB THR A 101 -6.257 -6.131 -11.683 1.00 61.23 H new ATOM 0 HG1 THR A 101 -5.087 -8.437 -12.878 1.00 34.20 H new ATOM 0 HG21 THR A 101 -3.892 -5.447 -12.031 1.00 53.45 H new ATOM 0 HG22 THR A 101 -4.260 -5.721 -10.311 1.00 53.45 H new ATOM 0 HG23 THR A 101 -3.352 -6.943 -11.233 1.00 53.45 H new ATOM 1626 N PHE A 102 -5.672 -6.712 -8.568 1.00 51.03 N ATOM 1627 CA PHE A 102 -6.051 -5.977 -7.354 1.00 50.25 C ATOM 1628 C PHE A 102 -5.187 -4.700 -7.271 1.00 5.13 C ATOM 1629 O PHE A 102 -3.980 -4.780 -7.027 1.00 31.20 O ATOM 1630 CB PHE A 102 -5.842 -6.886 -6.109 1.00 63.25 C ATOM 1631 CG PHE A 102 -6.262 -6.256 -4.784 1.00 11.02 C ATOM 1632 CD1 PHE A 102 -7.581 -5.844 -4.585 1.00 34.24 C ATOM 1633 CD2 PHE A 102 -5.349 -6.060 -3.747 1.00 72.40 C ATOM 1634 CE1 PHE A 102 -7.971 -5.260 -3.393 1.00 43.42 C ATOM 1635 CE2 PHE A 102 -5.740 -5.477 -2.562 1.00 3.14 C ATOM 1636 CZ PHE A 102 -7.050 -5.074 -2.384 1.00 45.24 C ATOM 0 H PHE A 102 -4.670 -6.677 -8.758 1.00 51.03 H new ATOM 0 HA PHE A 102 -7.103 -5.692 -7.384 1.00 50.25 H new ATOM 0 HB2 PHE A 102 -6.404 -7.809 -6.251 1.00 63.25 H new ATOM 0 HB3 PHE A 102 -4.789 -7.160 -6.048 1.00 63.25 H new ATOM 0 HD1 PHE A 102 -8.307 -5.983 -5.372 1.00 34.24 H new ATOM 0 HD2 PHE A 102 -4.322 -6.370 -3.875 1.00 72.40 H new ATOM 0 HE1 PHE A 102 -8.996 -4.950 -3.253 1.00 43.42 H new ATOM 0 HE2 PHE A 102 -5.021 -5.334 -1.769 1.00 3.14 H new ATOM 0 HZ PHE A 102 -7.352 -4.614 -1.455 1.00 45.24 H new ATOM 1646 N GLU A 103 -5.802 -3.528 -7.498 1.00 24.22 N ATOM 1647 CA GLU A 103 -5.093 -2.226 -7.516 1.00 71.11 C ATOM 1648 C GLU A 103 -5.815 -1.206 -6.633 1.00 32.05 C ATOM 1649 O GLU A 103 -7.030 -1.049 -6.722 1.00 43.21 O ATOM 1650 CB GLU A 103 -4.950 -1.687 -8.967 1.00 45.11 C ATOM 1651 CG GLU A 103 -3.968 -2.490 -9.846 1.00 54.23 C ATOM 1652 CD GLU A 103 -3.809 -1.889 -11.244 1.00 54.45 C ATOM 1653 OE1 GLU A 103 -2.987 -0.961 -11.422 1.00 12.22 O ATOM 1654 OE2 GLU A 103 -4.530 -2.317 -12.166 1.00 52.22 O ATOM 0 H GLU A 103 -6.804 -3.450 -7.675 1.00 24.22 H new ATOM 0 HA GLU A 103 -4.092 -2.384 -7.114 1.00 71.11 H new ATOM 0 HB2 GLU A 103 -5.931 -1.690 -9.442 1.00 45.11 H new ATOM 0 HB3 GLU A 103 -4.619 -0.649 -8.926 1.00 45.11 H new ATOM 0 HG2 GLU A 103 -2.995 -2.527 -9.357 1.00 54.23 H new ATOM 0 HG3 GLU A 103 -4.320 -3.518 -9.934 1.00 54.23 H new ATOM 1661 N VAL A 104 -5.034 -0.496 -5.803 1.00 21.33 N ATOM 1662 CA VAL A 104 -5.521 0.503 -4.855 1.00 55.03 C ATOM 1663 C VAL A 104 -4.635 1.737 -5.042 1.00 53.22 C ATOM 1664 O VAL A 104 -3.470 1.727 -4.652 1.00 3.15 O ATOM 1665 CB VAL A 104 -5.434 -0.009 -3.353 1.00 15.50 C ATOM 1666 CG1 VAL A 104 -5.929 1.073 -2.361 1.00 24.45 C ATOM 1667 CG2 VAL A 104 -6.205 -1.342 -3.161 1.00 22.12 C ATOM 0 H VAL A 104 -4.021 -0.608 -5.777 1.00 21.33 H new ATOM 0 HA VAL A 104 -6.572 0.720 -5.044 1.00 55.03 H new ATOM 0 HB VAL A 104 -4.384 -0.204 -3.135 1.00 15.50 H new ATOM 0 HG11 VAL A 104 -5.857 0.693 -1.342 1.00 24.45 H new ATOM 0 HG12 VAL A 104 -5.312 1.966 -2.459 1.00 24.45 H new ATOM 0 HG13 VAL A 104 -6.967 1.323 -2.583 1.00 24.45 H new ATOM 0 HG21 VAL A 104 -6.124 -1.663 -2.122 1.00 22.12 H new ATOM 0 HG22 VAL A 104 -7.255 -1.195 -3.415 1.00 22.12 H new ATOM 0 HG23 VAL A 104 -5.778 -2.106 -3.811 1.00 22.12 H new ATOM 1677 N GLU A 105 -5.183 2.783 -5.650 1.00 45.24 N ATOM 1678 CA GLU A 105 -4.453 4.025 -5.900 1.00 75.20 C ATOM 1679 C GLU A 105 -4.759 4.989 -4.751 1.00 45.11 C ATOM 1680 O GLU A 105 -5.917 5.316 -4.484 1.00 62.33 O ATOM 1681 CB GLU A 105 -4.864 4.637 -7.264 1.00 63.31 C ATOM 1682 CG GLU A 105 -4.404 6.100 -7.491 1.00 23.21 C ATOM 1683 CD GLU A 105 -2.904 6.290 -7.784 1.00 53.22 C ATOM 1684 OE1 GLU A 105 -2.090 6.269 -6.837 1.00 65.23 O ATOM 1685 OE2 GLU A 105 -2.538 6.502 -8.970 1.00 32.35 O ATOM 0 H GLU A 105 -6.146 2.796 -5.985 1.00 45.24 H new ATOM 0 HA GLU A 105 -3.382 3.830 -5.947 1.00 75.20 H new ATOM 0 HB2 GLU A 105 -4.456 4.016 -8.062 1.00 63.31 H new ATOM 0 HB3 GLU A 105 -5.950 4.596 -7.351 1.00 63.31 H new ATOM 0 HG2 GLU A 105 -4.973 6.516 -8.322 1.00 23.21 H new ATOM 0 HG3 GLU A 105 -4.659 6.683 -6.606 1.00 23.21 H new ATOM 1692 N VAL A 106 -3.702 5.439 -4.089 1.00 40.41 N ATOM 1693 CA VAL A 106 -3.790 6.320 -2.931 1.00 54.53 C ATOM 1694 C VAL A 106 -3.529 7.741 -3.430 1.00 65.51 C ATOM 1695 O VAL A 106 -2.389 8.109 -3.724 1.00 14.14 O ATOM 1696 CB VAL A 106 -2.726 5.900 -1.836 1.00 72.33 C ATOM 1697 CG1 VAL A 106 -2.872 6.721 -0.535 1.00 5.21 C ATOM 1698 CG2 VAL A 106 -2.784 4.375 -1.558 1.00 75.41 C ATOM 0 H VAL A 106 -2.744 5.199 -4.345 1.00 40.41 H new ATOM 0 HA VAL A 106 -4.773 6.255 -2.464 1.00 54.53 H new ATOM 0 HB VAL A 106 -1.740 6.129 -2.240 1.00 72.33 H new ATOM 0 HG11 VAL A 106 -2.121 6.397 0.186 1.00 5.21 H new ATOM 0 HG12 VAL A 106 -2.731 7.779 -0.755 1.00 5.21 H new ATOM 0 HG13 VAL A 106 -3.867 6.566 -0.117 1.00 5.21 H new ATOM 0 HG21 VAL A 106 -2.043 4.114 -0.802 1.00 75.41 H new ATOM 0 HG22 VAL A 106 -3.778 4.108 -1.199 1.00 75.41 H new ATOM 0 HG23 VAL A 106 -2.572 3.829 -2.477 1.00 75.41 H new ATOM 1708 N ILE A 107 -4.605 8.527 -3.548 1.00 1.35 N ATOM 1709 CA ILE A 107 -4.517 9.904 -4.032 1.00 14.12 C ATOM 1710 C ILE A 107 -4.269 10.798 -2.816 1.00 13.33 C ATOM 1711 O ILE A 107 -5.199 11.126 -2.092 1.00 0.35 O ATOM 1712 CB ILE A 107 -5.842 10.326 -4.794 1.00 13.24 C ATOM 1713 CG1 ILE A 107 -6.130 9.349 -5.987 1.00 23.54 C ATOM 1714 CG2 ILE A 107 -5.776 11.801 -5.272 1.00 42.11 C ATOM 1715 CD1 ILE A 107 -7.430 9.611 -6.744 1.00 61.22 C ATOM 0 H ILE A 107 -5.551 8.228 -3.313 1.00 1.35 H new ATOM 0 HA ILE A 107 -3.702 10.005 -4.749 1.00 14.12 H new ATOM 0 HB ILE A 107 -6.672 10.253 -4.091 1.00 13.24 H new ATOM 0 HG12 ILE A 107 -5.300 9.407 -6.691 1.00 23.54 H new ATOM 0 HG13 ILE A 107 -6.151 8.329 -5.603 1.00 23.54 H new ATOM 0 HG21 ILE A 107 -6.700 12.057 -5.790 1.00 42.11 H new ATOM 0 HG22 ILE A 107 -5.649 12.457 -4.411 1.00 42.11 H new ATOM 0 HG23 ILE A 107 -4.933 11.926 -5.951 1.00 42.11 H new ATOM 0 HD11 ILE A 107 -7.536 8.883 -7.548 1.00 61.22 H new ATOM 0 HD12 ILE A 107 -8.274 9.521 -6.060 1.00 61.22 H new ATOM 0 HD13 ILE A 107 -7.410 10.616 -7.165 1.00 61.22 H new ATOM 1727 N LEU A 108 -2.998 11.130 -2.561 1.00 1.25 N ATOM 1728 CA LEU A 108 -2.617 12.018 -1.452 1.00 62.43 C ATOM 1729 C LEU A 108 -2.361 13.429 -1.983 1.00 52.34 C ATOM 1730 O LEU A 108 -1.291 13.731 -2.494 1.00 25.30 O ATOM 1731 CB LEU A 108 -1.353 11.460 -0.758 1.00 14.25 C ATOM 1732 CG LEU A 108 -1.524 10.076 -0.082 1.00 11.14 C ATOM 1733 CD1 LEU A 108 -0.180 9.541 0.407 1.00 2.21 C ATOM 1734 CD2 LEU A 108 -2.556 10.134 1.063 1.00 12.44 C ATOM 0 H LEU A 108 -2.208 10.794 -3.112 1.00 1.25 H new ATOM 0 HA LEU A 108 -3.427 12.065 -0.724 1.00 62.43 H new ATOM 0 HB2 LEU A 108 -0.555 11.389 -1.497 1.00 14.25 H new ATOM 0 HB3 LEU A 108 -1.027 12.176 -0.004 1.00 14.25 H new ATOM 0 HG LEU A 108 -1.908 9.383 -0.830 1.00 11.14 H new ATOM 0 HD11 LEU A 108 -0.325 8.569 0.878 1.00 2.21 H new ATOM 0 HD12 LEU A 108 0.500 9.437 -0.439 1.00 2.21 H new ATOM 0 HD13 LEU A 108 0.246 10.235 1.131 1.00 2.21 H new ATOM 0 HD21 LEU A 108 -2.652 9.147 1.516 1.00 12.44 H new ATOM 0 HD22 LEU A 108 -2.224 10.848 1.816 1.00 12.44 H new ATOM 0 HD23 LEU A 108 -3.522 10.447 0.667 1.00 12.44 H new ATOM 1746 N GLU A 109 -3.350 14.299 -1.844 1.00 44.11 N ATOM 1747 CA GLU A 109 -3.231 15.712 -2.219 1.00 24.24 C ATOM 1748 C GLU A 109 -2.969 16.524 -0.955 1.00 32.23 C ATOM 1749 O GLU A 109 -3.810 16.551 -0.060 1.00 22.14 O ATOM 1750 CB GLU A 109 -4.516 16.183 -2.935 1.00 61.35 C ATOM 1751 CG GLU A 109 -4.773 15.472 -4.281 1.00 42.41 C ATOM 1752 CD GLU A 109 -6.091 15.891 -4.940 1.00 52.14 C ATOM 1753 OE1 GLU A 109 -6.191 17.046 -5.406 1.00 63.01 O ATOM 1754 OE2 GLU A 109 -7.044 15.078 -4.981 1.00 2.41 O ATOM 0 H GLU A 109 -4.264 14.050 -1.467 1.00 44.11 H new ATOM 0 HA GLU A 109 -2.402 15.853 -2.913 1.00 24.24 H new ATOM 0 HB2 GLU A 109 -5.369 16.017 -2.278 1.00 61.35 H new ATOM 0 HB3 GLU A 109 -4.452 17.257 -3.108 1.00 61.35 H new ATOM 0 HG2 GLU A 109 -3.949 15.687 -4.962 1.00 42.41 H new ATOM 0 HG3 GLU A 109 -4.781 14.394 -4.120 1.00 42.41 H new ATOM 1761 N LEU A 110 -1.755 17.086 -0.848 1.00 73.30 N ATOM 1762 CA LEU A 110 -1.385 18.026 0.219 1.00 41.53 C ATOM 1763 C LEU A 110 -1.035 19.384 -0.415 1.00 35.20 C ATOM 1764 O LEU A 110 0.055 19.542 -0.981 1.00 13.43 O ATOM 1765 CB LEU A 110 -0.176 17.495 1.055 1.00 33.43 C ATOM 1766 CG LEU A 110 -0.342 16.083 1.743 1.00 61.55 C ATOM 1767 CD1 LEU A 110 -0.103 14.919 0.748 1.00 43.14 C ATOM 1768 CD2 LEU A 110 0.561 15.956 2.994 1.00 1.31 C ATOM 0 H LEU A 110 -0.998 16.899 -1.505 1.00 73.30 H new ATOM 0 HA LEU A 110 -2.230 18.136 0.899 1.00 41.53 H new ATOM 0 HB2 LEU A 110 0.695 17.452 0.401 1.00 33.43 H new ATOM 0 HB3 LEU A 110 0.045 18.226 1.833 1.00 33.43 H new ATOM 0 HG LEU A 110 -1.378 16.008 2.074 1.00 61.55 H new ATOM 0 HD11 LEU A 110 -0.228 13.967 1.265 1.00 43.14 H new ATOM 0 HD12 LEU A 110 -0.822 14.985 -0.069 1.00 43.14 H new ATOM 0 HD13 LEU A 110 0.909 14.985 0.347 1.00 43.14 H new ATOM 0 HD21 LEU A 110 0.423 14.973 3.444 1.00 1.31 H new ATOM 0 HD22 LEU A 110 1.604 16.079 2.704 1.00 1.31 H new ATOM 0 HD23 LEU A 110 0.292 16.727 3.716 1.00 1.31 H new ATOM 1780 N GLU A 111 -1.989 20.343 -0.373 1.00 5.33 N ATOM 1781 CA GLU A 111 -1.739 21.740 -0.787 1.00 40.41 C ATOM 1782 C GLU A 111 -0.913 22.383 0.340 1.00 3.44 C ATOM 1783 O GLU A 111 -1.487 22.936 1.281 1.00 3.43 O ATOM 1784 CB GLU A 111 -3.090 22.510 -1.043 1.00 64.50 C ATOM 1785 CG GLU A 111 -2.987 23.852 -1.833 1.00 21.12 C ATOM 1786 CD GLU A 111 -2.257 24.990 -1.085 1.00 71.30 C ATOM 1787 OE1 GLU A 111 -2.877 25.638 -0.215 1.00 11.44 O ATOM 1788 OE2 GLU A 111 -1.045 25.204 -1.322 1.00 2.24 O ATOM 0 H GLU A 111 -2.943 20.172 -0.055 1.00 5.33 H new ATOM 0 HA GLU A 111 -1.196 21.783 -1.731 1.00 40.41 H new ATOM 0 HB2 GLU A 111 -3.764 21.846 -1.584 1.00 64.50 H new ATOM 0 HB3 GLU A 111 -3.553 22.717 -0.078 1.00 64.50 H new ATOM 0 HG2 GLU A 111 -2.470 23.665 -2.774 1.00 21.12 H new ATOM 0 HG3 GLU A 111 -3.993 24.188 -2.084 1.00 21.12 H new ATOM 1795 N HIS A 112 0.429 22.241 0.217 1.00 10.23 N ATOM 1796 CA HIS A 112 1.457 22.521 1.253 1.00 63.12 C ATOM 1797 C HIS A 112 1.236 21.698 2.556 1.00 72.04 C ATOM 1798 O HIS A 112 2.109 20.889 2.935 1.00 23.23 O ATOM 1799 CB HIS A 112 1.710 24.052 1.514 1.00 21.34 C ATOM 1800 CG HIS A 112 0.691 24.814 2.346 1.00 72.20 C ATOM 1801 ND1 HIS A 112 -0.404 25.446 1.802 1.00 65.12 N ATOM 1802 CD2 HIS A 112 0.619 25.053 3.686 1.00 13.04 C ATOM 1803 CE1 HIS A 112 -1.100 26.025 2.755 1.00 1.31 C ATOM 1804 NE2 HIS A 112 -0.505 25.806 3.903 1.00 61.41 N ATOM 0 H HIS A 112 0.847 21.911 -0.653 1.00 10.23 H new ATOM 0 HA HIS A 112 2.395 22.164 0.827 1.00 63.12 H new ATOM 0 HB2 HIS A 112 2.680 24.151 2.001 1.00 21.34 H new ATOM 0 HB3 HIS A 112 1.787 24.547 0.546 1.00 21.34 H new ATOM 0 HD2 HIS A 112 1.317 24.713 4.436 1.00 13.04 H new ATOM 0 HE1 HIS A 112 -2.011 26.588 2.616 1.00 1.31 H new ATOM 0 HE2 HIS A 112 -0.827 26.142 4.811 1.00 61.41 H new ATOM 1813 N HIS A 113 0.069 21.924 3.216 1.00 4.30 N ATOM 1814 CA HIS A 113 -0.381 21.221 4.414 1.00 52.33 C ATOM 1815 C HIS A 113 0.596 21.507 5.568 1.00 11.12 C ATOM 1816 O HIS A 113 0.423 22.491 6.302 1.00 51.45 O ATOM 1817 CB HIS A 113 -0.599 19.695 4.132 1.00 60.24 C ATOM 1818 CG HIS A 113 -1.120 18.912 5.306 1.00 72.00 C ATOM 1819 ND1 HIS A 113 -2.463 18.773 5.570 1.00 54.52 N ATOM 1820 CD2 HIS A 113 -0.476 18.250 6.298 1.00 11.41 C ATOM 1821 CE1 HIS A 113 -2.619 18.070 6.670 1.00 53.42 C ATOM 1822 NE2 HIS A 113 -1.433 17.744 7.126 1.00 42.12 N ATOM 0 H HIS A 113 -0.598 22.630 2.904 1.00 4.30 H new ATOM 0 HA HIS A 113 -1.359 21.594 4.719 1.00 52.33 H new ATOM 0 HB2 HIS A 113 -1.297 19.588 3.302 1.00 60.24 H new ATOM 0 HB3 HIS A 113 0.347 19.259 3.812 1.00 60.24 H new ATOM 0 HD2 HIS A 113 0.593 18.144 6.411 1.00 11.41 H new ATOM 0 HE1 HIS A 113 -3.564 17.806 7.122 1.00 53.42 H new ATOM 0 HE2 HIS A 113 -1.255 17.197 7.969 1.00 42.12 H new ATOM 1831 N HIS A 114 1.652 20.684 5.642 1.00 33.44 N ATOM 1832 CA HIS A 114 2.728 20.796 6.618 1.00 2.14 C ATOM 1833 C HIS A 114 3.669 19.612 6.400 1.00 12.11 C ATOM 1834 O HIS A 114 3.242 18.457 6.512 1.00 4.41 O ATOM 1835 CB HIS A 114 2.212 20.806 8.088 1.00 10.21 C ATOM 1836 CG HIS A 114 3.272 21.124 9.109 1.00 3.04 C ATOM 1837 ND1 HIS A 114 3.671 22.413 9.398 1.00 32.25 N ATOM 1838 CD2 HIS A 114 4.030 20.320 9.896 1.00 51.31 C ATOM 1839 CE1 HIS A 114 4.625 22.384 10.305 1.00 32.15 C ATOM 1840 NE2 HIS A 114 4.855 21.130 10.622 1.00 73.01 N ATOM 0 H HIS A 114 1.778 19.900 5.001 1.00 33.44 H new ATOM 0 HA HIS A 114 3.239 21.747 6.471 1.00 2.14 H new ATOM 0 HB2 HIS A 114 1.408 21.537 8.175 1.00 10.21 H new ATOM 0 HB3 HIS A 114 1.782 19.831 8.318 1.00 10.21 H new ATOM 0 HD2 HIS A 114 3.989 19.242 9.940 1.00 51.31 H new ATOM 0 HE1 HIS A 114 5.132 23.244 10.718 1.00 32.15 H new ATOM 0 HE2 HIS A 114 5.543 20.811 11.304 1.00 73.01 H new ATOM 1849 N HIS A 115 4.932 19.900 6.047 1.00 41.42 N ATOM 1850 CA HIS A 115 5.985 18.870 5.940 1.00 10.10 C ATOM 1851 C HIS A 115 6.298 18.354 7.359 1.00 55.04 C ATOM 1852 O HIS A 115 6.812 19.112 8.185 1.00 64.41 O ATOM 1853 CB HIS A 115 7.262 19.442 5.256 1.00 44.50 C ATOM 1854 CG HIS A 115 7.092 19.793 3.793 1.00 43.04 C ATOM 1855 ND1 HIS A 115 7.869 19.247 2.791 1.00 41.51 N ATOM 1856 CD2 HIS A 115 6.256 20.661 3.171 1.00 0.32 C ATOM 1857 CE1 HIS A 115 7.515 19.756 1.628 1.00 14.11 C ATOM 1858 NE2 HIS A 115 6.543 20.615 1.834 1.00 40.34 N ATOM 0 H HIS A 115 5.253 20.843 5.829 1.00 41.42 H new ATOM 0 HA HIS A 115 5.636 18.047 5.316 1.00 10.10 H new ATOM 0 HB2 HIS A 115 7.578 20.335 5.796 1.00 44.50 H new ATOM 0 HB3 HIS A 115 8.066 18.712 5.350 1.00 44.50 H new ATOM 0 HD1 HIS A 115 8.605 18.555 2.930 1.00 41.51 H new ATOM 0 HD2 HIS A 115 5.503 21.275 3.643 1.00 0.32 H new ATOM 0 HE1 HIS A 115 7.949 19.509 0.670 1.00 14.11 H new ATOM 1867 N HIS A 116 5.923 17.084 7.636 1.00 21.42 N ATOM 1868 CA HIS A 116 6.019 16.477 8.981 1.00 24.34 C ATOM 1869 C HIS A 116 7.482 16.413 9.456 1.00 54.15 C ATOM 1870 O HIS A 116 8.219 15.490 9.101 1.00 54.01 O ATOM 1871 CB HIS A 116 5.370 15.061 8.998 1.00 61.03 C ATOM 1872 CG HIS A 116 5.605 14.286 10.284 1.00 41.52 C ATOM 1873 ND1 HIS A 116 6.452 13.199 10.358 1.00 41.23 N ATOM 1874 CD2 HIS A 116 5.121 14.457 11.537 1.00 71.34 C ATOM 1875 CE1 HIS A 116 6.480 12.744 11.590 1.00 22.30 C ATOM 1876 NE2 HIS A 116 5.683 13.489 12.325 1.00 50.05 N ATOM 0 H HIS A 116 5.545 16.451 6.931 1.00 21.42 H new ATOM 0 HA HIS A 116 5.468 17.112 9.675 1.00 24.34 H new ATOM 0 HB2 HIS A 116 4.297 15.163 8.839 1.00 61.03 H new ATOM 0 HB3 HIS A 116 5.763 14.483 8.161 1.00 61.03 H new ATOM 0 HD2 HIS A 116 4.422 15.216 11.855 1.00 71.34 H new ATOM 0 HE1 HIS A 116 7.059 11.902 11.940 1.00 22.30 H new ATOM 0 HE2 HIS A 116 5.511 13.365 13.323 1.00 50.05 H new ATOM 1885 N HIS A 117 7.887 17.429 10.228 1.00 54.11 N ATOM 1886 CA HIS A 117 9.211 17.491 10.852 1.00 13.22 C ATOM 1887 C HIS A 117 9.261 16.477 12.022 1.00 71.32 C ATOM 1888 O HIS A 117 9.932 15.439 11.890 1.00 0.31 O ATOM 1889 CB HIS A 117 9.499 18.937 11.330 1.00 52.15 C ATOM 1890 CG HIS A 117 10.882 19.155 11.891 1.00 43.10 C ATOM 1891 ND1 HIS A 117 11.115 19.610 13.168 1.00 0.32 N ATOM 1892 CD2 HIS A 117 12.102 19.027 11.321 1.00 45.40 C ATOM 1893 CE1 HIS A 117 12.411 19.754 13.353 1.00 14.44 C ATOM 1894 NE2 HIS A 117 13.031 19.408 12.246 1.00 25.22 N ATOM 1895 OXT HIS A 117 8.565 16.701 13.038 1.00 36.88 O ATOM 0 H HIS A 117 7.300 18.236 10.438 1.00 54.11 H new ATOM 0 HA HIS A 117 9.985 17.225 10.132 1.00 13.22 H new ATOM 0 HB2 HIS A 117 9.351 19.618 10.492 1.00 52.15 H new ATOM 0 HB3 HIS A 117 8.767 19.205 12.092 1.00 52.15 H new ATOM 0 HD2 HIS A 117 12.304 18.685 10.317 1.00 45.40 H new ATOM 0 HE1 HIS A 117 12.885 20.098 14.261 1.00 14.44 H new ATOM 0 HE2 HIS A 117 14.041 19.422 12.102 1.00 25.22 H new TER 1904 HIS A 117