USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 671 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 79 GLN : amide:sc= -0.06 X(o=-0.087,f=-0.54) USER MOD Set 1.2: A 83 THR OG1 : rot -3:sc= -0.0267 USER MOD Set 2.1: A 4 THR OG1 : rot -147:sc= 1.25 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.256 X(o=0.53,f=0.064) USER MOD Set 2.3: A 40 GLN : amide:sc= -0.977! C(o=0.53!,f=-2.8!) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0104) USER MOD Single : A 1 MET N :NH3+ -163:sc=-0.00401 (180deg=-0.294) USER MOD Single : A 7 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.3!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.727 K(o=0.73,f=-7.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 68:sc= 1.29 USER MOD Single : A 44 HIS :FLIP no HD1:sc= 0.141 F(o=-1.8,f=0.14) USER MOD Single : A 45 SER OG : rot 13:sc= 0.572 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -1.93! (180deg=-2.65!) USER MOD Single : A 49 MET CE :methyl -173:sc= 0 (180deg=-0.0528) USER MOD Single : A 54 GLN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=-0.0033) USER MOD Single : A 59 TYR OH : rot 130:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.29! C(o=-3.3!,f=-10!) USER MOD Single : A 73 THR OG1 : rot 27:sc= -0.292 USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.456 (180deg=-0.999) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.785 23.317 8.379 1.00 0.00 N ATOM 2 CA MET A 1 -26.531 22.125 9.225 1.00 0.00 C ATOM 3 C MET A 1 -25.392 21.213 8.718 1.00 0.00 C ATOM 4 O MET A 1 -25.484 20.599 7.654 1.00 0.00 O ATOM 5 CB MET A 1 -27.820 21.311 9.398 1.00 0.00 C ATOM 6 CG MET A 1 -28.880 22.069 10.206 1.00 0.00 C ATOM 7 SD MET A 1 -30.451 21.153 10.417 1.00 0.00 S ATOM 8 CE MET A 1 -29.973 19.920 11.609 1.00 0.00 C ATOM 0 H1 MET A 1 -27.342 24.012 8.916 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.879 23.742 8.098 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.313 23.033 7.529 1.00 0.00 H new ATOM 0 HA MET A 1 -26.196 22.514 10.187 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.224 21.061 8.417 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.589 20.370 9.897 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.473 22.304 11.190 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.088 23.018 9.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.845 19.329 11.891 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.217 19.266 11.173 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.564 20.408 12.494 1.00 0.00 H new ATOM 20 N GLY A 2 -24.286 21.232 9.478 1.00 0.00 N ATOM 21 CA GLY A 2 -23.053 20.481 9.155 1.00 0.00 C ATOM 22 C GLY A 2 -23.218 18.960 9.285 1.00 0.00 C ATOM 23 O GLY A 2 -23.027 18.401 10.363 1.00 0.00 O ATOM 0 H GLY A 2 -24.217 21.771 10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.746 20.721 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.251 20.811 9.816 1.00 0.00 H new ATOM 27 N VAL A 3 -23.638 18.343 8.185 1.00 0.00 N ATOM 28 CA VAL A 3 -23.807 16.881 8.083 1.00 0.00 C ATOM 29 C VAL A 3 -22.929 16.274 6.968 1.00 0.00 C ATOM 30 O VAL A 3 -22.693 16.883 5.925 1.00 0.00 O ATOM 31 CB VAL A 3 -25.309 16.538 7.962 1.00 0.00 C ATOM 32 CG1 VAL A 3 -25.957 17.010 6.654 1.00 0.00 C ATOM 33 CG2 VAL A 3 -25.582 15.053 8.225 1.00 0.00 C ATOM 0 H VAL A 3 -23.875 18.840 7.327 1.00 0.00 H new ATOM 0 HA VAL A 3 -23.446 16.411 8.998 1.00 0.00 H new ATOM 0 HB VAL A 3 -25.795 17.113 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.010 16.730 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -25.869 18.094 6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -25.453 16.542 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -26.650 14.857 8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -25.036 14.449 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.255 14.796 9.232 1.00 0.00 H new ATOM 43 N THR A 4 -22.355 15.129 7.315 1.00 0.00 N ATOM 44 CA THR A 4 -21.498 14.295 6.436 1.00 0.00 C ATOM 45 C THR A 4 -21.883 12.802 6.514 1.00 0.00 C ATOM 46 O THR A 4 -22.118 12.139 5.502 1.00 0.00 O ATOM 47 CB THR A 4 -19.991 14.559 6.678 1.00 0.00 C ATOM 48 OG1 THR A 4 -19.212 13.619 5.936 1.00 0.00 O ATOM 49 CG2 THR A 4 -19.555 14.583 8.150 1.00 0.00 C ATOM 0 H THR A 4 -22.468 14.728 8.246 1.00 0.00 H new ATOM 0 HA THR A 4 -21.686 14.598 5.406 1.00 0.00 H new ATOM 0 HB THR A 4 -19.812 15.574 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.391 13.413 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.484 14.775 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.094 15.371 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.777 13.621 8.611 1.00 0.00 H new ATOM 57 N GLU A 5 -21.841 12.287 7.742 1.00 0.00 N ATOM 58 CA GLU A 5 -22.425 10.991 8.159 1.00 0.00 C ATOM 59 C GLU A 5 -23.905 10.792 7.762 1.00 0.00 C ATOM 60 O GLU A 5 -24.542 11.690 7.219 1.00 0.00 O ATOM 61 CB GLU A 5 -22.231 10.808 9.677 1.00 0.00 C ATOM 62 CG GLU A 5 -22.896 11.832 10.614 1.00 0.00 C ATOM 63 CD GLU A 5 -22.212 13.200 10.570 1.00 0.00 C ATOM 64 OE1 GLU A 5 -20.987 13.234 10.815 1.00 0.00 O ATOM 65 OE2 GLU A 5 -22.826 14.118 9.983 1.00 0.00 O ATOM 0 H GLU A 5 -21.383 12.773 8.513 1.00 0.00 H new ATOM 0 HA GLU A 5 -21.886 10.219 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.602 9.819 9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.160 10.813 9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.944 11.945 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.875 11.452 11.635 1.00 0.00 H new ATOM 72 N ALA A 6 -24.430 9.600 8.071 1.00 0.00 N ATOM 73 CA ALA A 6 -25.794 9.124 7.728 1.00 0.00 C ATOM 74 C ALA A 6 -26.170 9.072 6.229 1.00 0.00 C ATOM 75 O ALA A 6 -27.300 8.734 5.884 1.00 0.00 O ATOM 76 CB ALA A 6 -26.845 9.890 8.544 1.00 0.00 C ATOM 0 H ALA A 6 -23.898 8.902 8.591 1.00 0.00 H new ATOM 0 HA ALA A 6 -25.782 8.070 8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.841 9.531 8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.668 9.729 9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.773 10.955 8.322 1.00 0.00 H new ATOM 82 N GLN A 7 -25.131 9.047 5.394 1.00 0.00 N ATOM 83 CA GLN A 7 -25.189 8.968 3.912 1.00 0.00 C ATOM 84 C GLN A 7 -26.140 7.960 3.223 1.00 0.00 C ATOM 85 O GLN A 7 -26.603 8.235 2.120 1.00 0.00 O ATOM 86 CB GLN A 7 -23.769 8.784 3.346 1.00 0.00 C ATOM 87 CG GLN A 7 -23.026 7.567 3.922 1.00 0.00 C ATOM 88 CD GLN A 7 -21.792 7.119 3.128 1.00 0.00 C ATOM 89 OE1 GLN A 7 -21.547 5.929 2.977 1.00 0.00 O ATOM 90 NE2 GLN A 7 -20.919 8.030 2.752 1.00 0.00 N ATOM 0 H GLN A 7 -24.172 9.083 5.738 1.00 0.00 H new ATOM 0 HA GLN A 7 -25.651 9.924 3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -23.830 8.682 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -23.187 9.683 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -22.718 7.799 4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -23.723 6.731 3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -21.128 9.020 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -20.034 7.746 2.333 1.00 0.00 H new ATOM 99 N TYR A 8 -26.438 6.842 3.894 1.00 0.00 N ATOM 100 CA TYR A 8 -27.164 5.672 3.335 1.00 0.00 C ATOM 101 C TYR A 8 -27.245 4.529 4.368 1.00 0.00 C ATOM 102 O TYR A 8 -28.310 4.243 4.903 1.00 0.00 O ATOM 103 CB TYR A 8 -26.546 5.172 2.010 1.00 0.00 C ATOM 104 CG TYR A 8 -27.225 3.952 1.368 1.00 0.00 C ATOM 105 CD1 TYR A 8 -28.591 3.707 1.486 1.00 0.00 C ATOM 106 CD2 TYR A 8 -26.429 3.044 0.681 1.00 0.00 C ATOM 107 CE1 TYR A 8 -29.145 2.556 0.942 1.00 0.00 C ATOM 108 CE2 TYR A 8 -26.978 1.892 0.134 1.00 0.00 C ATOM 109 CZ TYR A 8 -28.340 1.647 0.270 1.00 0.00 C ATOM 110 OH TYR A 8 -28.882 0.501 -0.212 1.00 0.00 O ATOM 0 H TYR A 8 -26.177 6.712 4.872 1.00 0.00 H new ATOM 0 HA TYR A 8 -28.176 6.007 3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.563 5.992 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.499 4.927 2.190 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -29.222 4.415 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -25.372 3.236 0.571 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -30.204 2.368 1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.350 1.190 -0.394 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.187 -0.028 -0.657 1.00 0.00 H new ATOM 120 N VAL A 9 -26.088 3.913 4.625 1.00 0.00 N ATOM 121 CA VAL A 9 -25.853 2.834 5.618 1.00 0.00 C ATOM 122 C VAL A 9 -26.653 1.546 5.312 1.00 0.00 C ATOM 123 O VAL A 9 -27.730 1.309 5.854 1.00 0.00 O ATOM 124 CB VAL A 9 -26.097 3.288 7.082 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.450 2.308 8.069 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.626 4.713 7.411 1.00 0.00 C ATOM 0 H VAL A 9 -25.235 4.160 4.123 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.794 2.597 5.520 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.182 3.293 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -25.633 2.645 9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -25.881 1.316 7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.376 2.265 7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.841 4.935 8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.553 4.791 7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.150 5.426 6.774 1.00 0.00 H new ATOM 136 N ALA A 10 -26.071 0.699 4.462 1.00 0.00 N ATOM 137 CA ALA A 10 -26.598 -0.658 4.203 1.00 0.00 C ATOM 138 C ALA A 10 -25.563 -1.765 4.510 1.00 0.00 C ATOM 139 O ALA A 10 -24.682 -2.017 3.683 1.00 0.00 O ATOM 140 CB ALA A 10 -27.113 -0.747 2.761 1.00 0.00 C ATOM 0 H ALA A 10 -25.228 0.923 3.934 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.430 -0.831 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.500 -1.749 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.909 -0.017 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.296 -0.539 2.070 1.00 0.00 H new ATOM 146 N PRO A 11 -25.547 -2.283 5.750 1.00 0.00 N ATOM 147 CA PRO A 11 -24.642 -3.378 6.162 1.00 0.00 C ATOM 148 C PRO A 11 -25.060 -4.753 5.621 1.00 0.00 C ATOM 149 O PRO A 11 -26.163 -4.925 5.106 1.00 0.00 O ATOM 150 CB PRO A 11 -24.654 -3.333 7.693 1.00 0.00 C ATOM 151 CG PRO A 11 -26.057 -2.820 8.017 1.00 0.00 C ATOM 152 CD PRO A 11 -26.331 -1.804 6.907 1.00 0.00 C ATOM 0 HA PRO A 11 -23.643 -3.237 5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.475 -4.317 8.126 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.883 -2.669 8.082 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -26.790 -3.627 8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.097 -2.358 9.003 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.394 -1.754 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.024 -0.801 7.205 1.00 0.00 H new ATOM 160 N THR A 12 -24.072 -5.640 5.543 1.00 0.00 N ATOM 161 CA THR A 12 -24.298 -7.049 5.141 1.00 0.00 C ATOM 162 C THR A 12 -23.934 -8.038 6.267 1.00 0.00 C ATOM 163 O THR A 12 -24.792 -8.419 7.057 1.00 0.00 O ATOM 164 CB THR A 12 -23.540 -7.417 3.849 1.00 0.00 C ATOM 165 OG1 THR A 12 -23.401 -6.282 2.993 1.00 0.00 O ATOM 166 CG2 THR A 12 -24.258 -8.542 3.100 1.00 0.00 C ATOM 0 H THR A 12 -23.098 -5.419 5.751 1.00 0.00 H new ATOM 0 HA THR A 12 -25.366 -7.135 4.942 1.00 0.00 H new ATOM 0 HB THR A 12 -22.547 -7.760 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.916 -6.541 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.706 -8.785 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.315 -9.425 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 12 -25.265 -8.219 2.836 1.00 0.00 H new ATOM 174 N ASN A 13 -22.648 -8.380 6.378 1.00 0.00 N ATOM 175 CA ASN A 13 -22.152 -9.410 7.314 1.00 0.00 C ATOM 176 C ASN A 13 -21.417 -8.799 8.529 1.00 0.00 C ATOM 177 O ASN A 13 -21.317 -7.578 8.653 1.00 0.00 O ATOM 178 CB ASN A 13 -21.243 -10.369 6.522 1.00 0.00 C ATOM 179 CG ASN A 13 -19.879 -9.794 6.107 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.609 -8.600 6.162 1.00 0.00 O ATOM 181 ND2 ASN A 13 -18.935 -10.666 5.835 1.00 0.00 N ATOM 0 H ASN A 13 -21.910 -7.951 5.819 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.998 -9.955 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.074 -11.262 7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.773 -10.686 5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.980 -10.349 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.157 -11.660 5.789 1.00 0.00 H new ATOM 188 N ALA A 14 -20.791 -9.673 9.321 1.00 0.00 N ATOM 189 CA ALA A 14 -19.937 -9.293 10.466 1.00 0.00 C ATOM 190 C ALA A 14 -18.866 -8.246 10.111 1.00 0.00 C ATOM 191 O ALA A 14 -18.952 -7.131 10.618 1.00 0.00 O ATOM 192 CB ALA A 14 -19.283 -10.544 11.060 1.00 0.00 C ATOM 0 H ALA A 14 -20.860 -10.682 9.189 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.588 -8.823 11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.654 -10.260 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.057 -11.233 11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.672 -11.031 10.300 1.00 0.00 H new ATOM 198 N VAL A 15 -18.103 -8.502 9.044 1.00 0.00 N ATOM 199 CA VAL A 15 -17.046 -7.590 8.538 1.00 0.00 C ATOM 200 C VAL A 15 -17.638 -6.194 8.251 1.00 0.00 C ATOM 201 O VAL A 15 -17.298 -5.232 8.934 1.00 0.00 O ATOM 202 CB VAL A 15 -16.355 -8.187 7.291 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.250 -7.279 6.733 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.739 -9.556 7.599 1.00 0.00 C ATOM 0 H VAL A 15 -18.195 -9.356 8.494 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.282 -7.477 9.307 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.140 -8.285 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.800 -7.749 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.678 -6.318 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.486 -7.125 7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.261 -9.950 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.997 -9.451 8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.521 -10.242 7.924 1.00 0.00 H new ATOM 214 N GLU A 16 -18.699 -6.189 7.445 1.00 0.00 N ATOM 215 CA GLU A 16 -19.485 -4.987 7.100 1.00 0.00 C ATOM 216 C GLU A 16 -19.945 -4.188 8.335 1.00 0.00 C ATOM 217 O GLU A 16 -19.418 -3.108 8.590 1.00 0.00 O ATOM 218 CB GLU A 16 -20.688 -5.410 6.247 1.00 0.00 C ATOM 219 CG GLU A 16 -20.322 -5.712 4.788 1.00 0.00 C ATOM 220 CD GLU A 16 -20.702 -4.567 3.842 1.00 0.00 C ATOM 221 OE1 GLU A 16 -21.777 -3.970 4.075 1.00 0.00 O ATOM 222 OE2 GLU A 16 -19.876 -4.275 2.951 1.00 0.00 O ATOM 0 H GLU A 16 -19.051 -7.036 6.999 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.837 -4.315 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.145 -6.295 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.437 -4.618 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.251 -5.899 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.827 -6.625 4.471 1.00 0.00 H new ATOM 229 N SER A 17 -20.762 -4.824 9.175 1.00 0.00 N ATOM 230 CA SER A 17 -21.374 -4.194 10.366 1.00 0.00 C ATOM 231 C SER A 17 -20.355 -3.765 11.437 1.00 0.00 C ATOM 232 O SER A 17 -20.237 -2.578 11.735 1.00 0.00 O ATOM 233 CB SER A 17 -22.427 -5.133 10.970 1.00 0.00 C ATOM 234 OG SER A 17 -23.092 -4.489 12.059 1.00 0.00 O ATOM 0 H SER A 17 -21.026 -5.802 9.054 1.00 0.00 H new ATOM 0 HA SER A 17 -21.846 -3.274 10.021 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.152 -5.417 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.952 -6.051 11.316 1.00 0.00 H new ATOM 0 HG SER A 17 -23.763 -5.095 12.437 1.00 0.00 H new ATOM 240 N LYS A 18 -19.484 -4.697 11.825 1.00 0.00 N ATOM 241 CA LYS A 18 -18.463 -4.477 12.870 1.00 0.00 C ATOM 242 C LYS A 18 -17.445 -3.398 12.469 1.00 0.00 C ATOM 243 O LYS A 18 -17.270 -2.431 13.208 1.00 0.00 O ATOM 244 CB LYS A 18 -17.808 -5.821 13.215 1.00 0.00 C ATOM 245 CG LYS A 18 -16.785 -5.748 14.356 1.00 0.00 C ATOM 246 CD LYS A 18 -16.706 -7.054 15.158 1.00 0.00 C ATOM 247 CE LYS A 18 -16.236 -8.274 14.360 1.00 0.00 C ATOM 248 NZ LYS A 18 -16.303 -9.480 15.199 1.00 0.00 N ATOM 0 H LYS A 18 -19.461 -5.635 11.425 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.944 -4.088 13.767 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.587 -6.533 13.486 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.315 -6.211 12.325 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.802 -5.518 13.945 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.050 -4.930 15.025 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.029 -6.906 16.000 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.690 -7.268 15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.859 -8.402 13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.215 -8.120 14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.982 -10.303 14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.691 -9.359 16.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.284 -9.632 15.510 1.00 0.00 H new ATOM 262 N LEU A 19 -16.945 -3.462 11.235 1.00 0.00 N ATOM 263 CA LEU A 19 -16.063 -2.408 10.704 1.00 0.00 C ATOM 264 C LEU A 19 -16.765 -1.055 10.531 1.00 0.00 C ATOM 265 O LEU A 19 -16.207 -0.051 10.959 1.00 0.00 O ATOM 266 CB LEU A 19 -15.355 -2.826 9.411 1.00 0.00 C ATOM 267 CG LEU A 19 -14.027 -3.590 9.566 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.979 -2.764 10.320 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.216 -4.979 10.183 1.00 0.00 C ATOM 0 H LEU A 19 -17.131 -4.225 10.584 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.300 -2.272 11.470 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.040 -3.447 8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.165 -1.929 8.822 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.644 -3.753 8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.057 -3.339 10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.781 -1.842 9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.353 -2.523 11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.248 -5.473 10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.663 -4.880 11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.872 -5.574 9.547 1.00 0.00 H new ATOM 281 N ALA A 20 -18.022 -1.049 10.078 1.00 0.00 N ATOM 282 CA ALA A 20 -18.851 0.178 10.040 1.00 0.00 C ATOM 283 C ALA A 20 -19.001 0.818 11.433 1.00 0.00 C ATOM 284 O ALA A 20 -18.795 2.021 11.578 1.00 0.00 O ATOM 285 CB ALA A 20 -20.238 -0.112 9.465 1.00 0.00 C ATOM 0 H ALA A 20 -18.498 -1.881 9.729 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.331 0.883 9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.825 0.807 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -20.138 -0.496 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.741 -0.853 10.086 1.00 0.00 H new ATOM 291 N GLU A 21 -19.231 -0.025 12.443 1.00 0.00 N ATOM 292 CA GLU A 21 -19.232 0.354 13.872 1.00 0.00 C ATOM 293 C GLU A 21 -17.885 0.986 14.279 1.00 0.00 C ATOM 294 O GLU A 21 -17.861 2.157 14.657 1.00 0.00 O ATOM 295 CB GLU A 21 -19.549 -0.894 14.709 1.00 0.00 C ATOM 296 CG GLU A 21 -19.665 -0.619 16.211 1.00 0.00 C ATOM 297 CD GLU A 21 -19.751 -1.931 16.995 1.00 0.00 C ATOM 298 OE1 GLU A 21 -18.670 -2.446 17.354 1.00 0.00 O ATOM 299 OE2 GLU A 21 -20.893 -2.388 17.220 1.00 0.00 O ATOM 0 H GLU A 21 -19.427 -1.015 12.294 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.997 1.109 14.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.484 -1.329 14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.769 -1.638 14.545 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.803 -0.044 16.548 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.549 -0.013 16.408 1.00 0.00 H new ATOM 306 N ILE A 22 -16.787 0.274 14.006 1.00 0.00 N ATOM 307 CA ILE A 22 -15.402 0.742 14.258 1.00 0.00 C ATOM 308 C ILE A 22 -15.163 2.114 13.596 1.00 0.00 C ATOM 309 O ILE A 22 -14.926 3.094 14.300 1.00 0.00 O ATOM 310 CB ILE A 22 -14.383 -0.331 13.795 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.553 -1.675 14.530 1.00 0.00 C ATOM 312 CG2 ILE A 22 -12.919 0.137 13.835 1.00 0.00 C ATOM 313 CD1 ILE A 22 -14.509 -1.634 16.066 1.00 0.00 C ATOM 0 H ILE A 22 -16.826 -0.660 13.597 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.257 0.882 15.329 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.625 -0.494 12.745 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.506 -2.109 14.229 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.771 -2.352 14.185 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.270 -0.670 13.497 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.795 1.001 13.181 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.653 0.413 14.855 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.640 -2.641 16.461 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.547 -1.239 16.392 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.309 -0.992 16.436 1.00 0.00 H new ATOM 325 N TRP A 23 -15.447 2.194 12.298 1.00 0.00 N ATOM 326 CA TRP A 23 -15.347 3.432 11.500 1.00 0.00 C ATOM 327 C TRP A 23 -16.146 4.593 12.103 1.00 0.00 C ATOM 328 O TRP A 23 -15.532 5.498 12.657 1.00 0.00 O ATOM 329 CB TRP A 23 -15.770 3.185 10.047 1.00 0.00 C ATOM 330 CG TRP A 23 -14.779 2.329 9.257 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.095 1.236 8.571 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.391 2.447 9.227 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.984 0.642 8.137 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.931 1.349 8.519 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.508 3.418 9.672 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.568 1.207 8.268 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.147 3.287 9.411 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.683 2.176 8.713 1.00 0.00 C ATOM 0 H TRP A 23 -15.760 1.390 11.754 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.298 3.726 11.517 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.745 2.697 10.039 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.890 4.145 9.544 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.100 0.883 8.392 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.950 -0.222 7.596 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.875 4.274 10.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.203 0.345 7.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.454 4.044 9.749 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.626 2.068 8.517 1.00 0.00 H new ATOM 349 N GLU A 24 -17.463 4.428 12.239 1.00 0.00 N ATOM 350 CA GLU A 24 -18.354 5.481 12.777 1.00 0.00 C ATOM 351 C GLU A 24 -18.013 5.966 14.197 1.00 0.00 C ATOM 352 O GLU A 24 -18.342 7.100 14.545 1.00 0.00 O ATOM 353 CB GLU A 24 -19.829 5.077 12.666 1.00 0.00 C ATOM 354 CG GLU A 24 -20.264 3.866 13.502 1.00 0.00 C ATOM 355 CD GLU A 24 -21.629 3.294 13.095 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.039 3.522 11.931 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.224 2.614 13.956 1.00 0.00 O ATOM 0 H GLU A 24 -17.949 3.568 11.983 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.172 6.346 12.139 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.441 5.931 12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.049 4.868 11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.510 3.084 13.412 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.299 4.155 14.553 1.00 0.00 H new ATOM 364 N ARG A 25 -17.482 5.051 15.007 1.00 0.00 N ATOM 365 CA ARG A 25 -16.934 5.313 16.350 1.00 0.00 C ATOM 366 C ARG A 25 -15.620 6.120 16.274 1.00 0.00 C ATOM 367 O ARG A 25 -15.608 7.308 16.594 1.00 0.00 O ATOM 368 CB ARG A 25 -16.733 3.948 17.017 1.00 0.00 C ATOM 369 CG ARG A 25 -16.421 3.998 18.512 1.00 0.00 C ATOM 370 CD ARG A 25 -16.108 2.579 18.991 1.00 0.00 C ATOM 371 NE ARG A 25 -15.990 2.545 20.458 1.00 0.00 N ATOM 372 CZ ARG A 25 -16.687 1.764 21.287 1.00 0.00 C ATOM 373 NH1 ARG A 25 -17.549 0.853 20.854 1.00 0.00 N ATOM 374 NH2 ARG A 25 -16.485 1.846 22.594 1.00 0.00 N ATOM 0 H ARG A 25 -17.416 4.068 14.742 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.618 5.925 16.938 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.634 3.352 16.869 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.920 3.429 16.509 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.573 4.657 18.700 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.269 4.405 19.062 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.895 1.898 18.668 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.180 2.232 18.537 1.00 0.00 H new ATOM 0 HE ARG A 25 -15.311 3.178 20.881 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.700 0.729 19.853 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -18.061 0.277 21.522 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.799 2.504 22.964 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -17.016 1.251 23.230 1.00 0.00 H new ATOM 388 N VAL A 26 -14.594 5.519 15.668 1.00 0.00 N ATOM 389 CA VAL A 26 -13.218 6.066 15.574 1.00 0.00 C ATOM 390 C VAL A 26 -13.153 7.393 14.780 1.00 0.00 C ATOM 391 O VAL A 26 -12.470 8.325 15.200 1.00 0.00 O ATOM 392 CB VAL A 26 -12.257 4.983 15.030 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.807 5.465 14.912 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.245 3.747 15.940 1.00 0.00 C ATOM 0 H VAL A 26 -14.689 4.611 15.212 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.887 6.331 16.578 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.638 4.743 14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.186 4.658 14.525 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.761 6.316 14.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.442 5.764 15.894 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.561 3.002 15.533 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.917 4.034 16.939 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.249 3.326 15.995 1.00 0.00 H new ATOM 404 N LEU A 27 -13.972 7.502 13.735 1.00 0.00 N ATOM 405 CA LEU A 27 -14.175 8.724 12.919 1.00 0.00 C ATOM 406 C LEU A 27 -14.629 9.955 13.735 1.00 0.00 C ATOM 407 O LEU A 27 -14.385 11.088 13.325 1.00 0.00 O ATOM 408 CB LEU A 27 -15.178 8.356 11.813 1.00 0.00 C ATOM 409 CG LEU A 27 -15.575 9.439 10.804 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.856 8.771 9.458 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.855 10.149 11.255 1.00 0.00 C ATOM 0 H LEU A 27 -14.539 6.718 13.412 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.221 9.038 12.496 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.764 7.517 11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.089 8.000 12.295 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.765 10.164 10.727 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.140 9.529 8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.960 8.254 9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.668 8.053 9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.122 10.915 10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.665 9.424 11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.690 10.614 12.227 1.00 0.00 H new ATOM 423 N GLY A 28 -15.257 9.685 14.888 1.00 0.00 N ATOM 424 CA GLY A 28 -15.838 10.707 15.780 1.00 0.00 C ATOM 425 C GLY A 28 -17.328 10.430 16.008 1.00 0.00 C ATOM 426 O GLY A 28 -18.181 11.118 15.452 1.00 0.00 O ATOM 0 H GLY A 28 -15.379 8.734 15.236 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.311 10.708 16.734 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.708 11.697 15.343 1.00 0.00 H new ATOM 430 N VAL A 29 -17.571 9.364 16.776 1.00 0.00 N ATOM 431 CA VAL A 29 -18.881 8.782 17.160 1.00 0.00 C ATOM 432 C VAL A 29 -20.130 9.445 16.535 1.00 0.00 C ATOM 433 O VAL A 29 -20.865 10.217 17.147 1.00 0.00 O ATOM 434 CB VAL A 29 -18.907 8.585 18.694 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.871 9.890 19.503 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.047 7.661 19.134 1.00 0.00 C ATOM 0 H VAL A 29 -16.800 8.835 17.184 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.963 7.800 16.695 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.967 8.086 18.931 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.892 9.659 20.568 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.958 10.438 19.269 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.737 10.501 19.247 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.028 7.550 20.218 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.002 8.091 18.830 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.924 6.684 18.667 1.00 0.00 H new ATOM 446 N SER A 30 -20.337 9.062 15.278 1.00 0.00 N ATOM 447 CA SER A 30 -21.348 9.679 14.390 1.00 0.00 C ATOM 448 C SER A 30 -22.420 8.735 13.819 1.00 0.00 C ATOM 449 O SER A 30 -23.601 8.899 14.115 1.00 0.00 O ATOM 450 CB SER A 30 -20.669 10.448 13.252 1.00 0.00 C ATOM 451 OG SER A 30 -20.121 11.684 13.711 1.00 0.00 O ATOM 0 H SER A 30 -19.810 8.310 14.833 1.00 0.00 H new ATOM 0 HA SER A 30 -21.896 10.354 15.047 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.878 9.836 12.819 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.392 10.641 12.460 1.00 0.00 H new ATOM 0 HG SER A 30 -19.373 11.505 14.318 1.00 0.00 H new ATOM 457 N GLY A 31 -21.996 7.813 12.940 1.00 0.00 N ATOM 458 CA GLY A 31 -22.917 6.904 12.223 1.00 0.00 C ATOM 459 C GLY A 31 -22.776 7.061 10.702 1.00 0.00 C ATOM 460 O GLY A 31 -23.388 7.937 10.093 1.00 0.00 O ATOM 0 H GLY A 31 -21.013 7.674 12.705 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.708 5.872 12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.945 7.114 12.520 1.00 0.00 H new ATOM 464 N ILE A 32 -21.966 6.190 10.107 1.00 0.00 N ATOM 465 CA ILE A 32 -21.609 6.305 8.676 1.00 0.00 C ATOM 466 C ILE A 32 -21.997 5.057 7.871 1.00 0.00 C ATOM 467 O ILE A 32 -22.156 3.967 8.418 1.00 0.00 O ATOM 468 CB ILE A 32 -20.125 6.649 8.420 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.161 5.594 8.981 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.811 8.066 8.920 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.800 5.625 8.280 1.00 0.00 C ATOM 0 H ILE A 32 -21.540 5.395 10.583 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.200 7.151 8.325 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.964 6.632 7.342 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.022 5.762 10.049 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.603 4.604 8.869 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.762 8.294 8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.438 8.785 8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.010 8.127 9.990 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.152 4.862 8.710 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.934 5.430 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.344 6.606 8.414 1.00 0.00 H new ATOM 483 N GLY A 33 -22.104 5.267 6.554 1.00 0.00 N ATOM 484 CA GLY A 33 -22.448 4.195 5.603 1.00 0.00 C ATOM 485 C GLY A 33 -21.228 3.358 5.208 1.00 0.00 C ATOM 486 O GLY A 33 -20.110 3.860 5.125 1.00 0.00 O ATOM 0 H GLY A 33 -21.957 6.176 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.203 3.546 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.891 4.633 4.709 1.00 0.00 H new ATOM 490 N ILE A 34 -21.521 2.104 4.879 1.00 0.00 N ATOM 491 CA ILE A 34 -20.581 1.117 4.293 1.00 0.00 C ATOM 492 C ILE A 34 -19.733 1.704 3.144 1.00 0.00 C ATOM 493 O ILE A 34 -18.534 1.447 3.045 1.00 0.00 O ATOM 494 CB ILE A 34 -21.435 -0.090 3.835 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.138 -0.781 5.016 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.715 -1.087 2.910 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.239 -1.341 6.127 1.00 0.00 C ATOM 0 H ILE A 34 -22.456 1.718 5.014 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.847 0.810 5.038 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.207 0.345 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -22.828 -0.067 5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -22.739 -1.600 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.397 -1.895 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.391 -0.574 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.847 -1.499 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -21.857 -1.801 6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.565 -2.088 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.655 -0.532 6.565 1.00 0.00 H new ATOM 509 N LEU A 35 -20.391 2.488 2.292 1.00 0.00 N ATOM 510 CA LEU A 35 -19.756 3.207 1.169 1.00 0.00 C ATOM 511 C LEU A 35 -18.655 4.190 1.603 1.00 0.00 C ATOM 512 O LEU A 35 -17.612 4.235 0.960 1.00 0.00 O ATOM 513 CB LEU A 35 -20.808 3.931 0.311 1.00 0.00 C ATOM 514 CG LEU A 35 -21.660 3.054 -0.629 1.00 0.00 C ATOM 515 CD1 LEU A 35 -20.796 2.231 -1.591 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.673 2.180 0.117 1.00 0.00 C ATOM 0 H LEU A 35 -21.396 2.650 2.356 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.265 2.439 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.482 4.467 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -20.297 4.680 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 35 -22.245 3.748 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.439 1.629 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.195 2.902 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.138 1.576 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.241 1.588 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.146 1.515 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -23.355 2.815 0.683 1.00 0.00 H new ATOM 528 N ASP A 36 -18.814 4.733 2.811 1.00 0.00 N ATOM 529 CA ASP A 36 -17.926 5.711 3.473 1.00 0.00 C ATOM 530 C ASP A 36 -17.855 7.035 2.698 1.00 0.00 C ATOM 531 O ASP A 36 -18.143 7.099 1.505 1.00 0.00 O ATOM 532 CB ASP A 36 -16.521 5.133 3.712 1.00 0.00 C ATOM 533 CG ASP A 36 -16.552 3.822 4.507 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.960 3.889 5.687 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.185 2.776 3.927 1.00 0.00 O ATOM 0 H ASP A 36 -19.614 4.492 3.396 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.365 5.926 4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.035 4.960 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.917 5.865 4.248 1.00 0.00 H new ATOM 540 N ASN A 37 -17.661 8.124 3.436 1.00 0.00 N ATOM 541 CA ASN A 37 -17.473 9.462 2.831 1.00 0.00 C ATOM 542 C ASN A 37 -16.134 9.681 2.091 1.00 0.00 C ATOM 543 O ASN A 37 -15.754 10.824 1.850 1.00 0.00 O ATOM 544 CB ASN A 37 -17.697 10.529 3.909 1.00 0.00 C ATOM 545 CG ASN A 37 -19.171 10.640 4.310 1.00 0.00 C ATOM 546 OD1 ASN A 37 -19.717 9.800 5.017 1.00 0.00 O ATOM 547 ND2 ASN A 37 -19.865 11.588 3.728 1.00 0.00 N ATOM 0 H ASN A 37 -17.628 8.118 4.455 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.216 9.545 2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.100 10.287 4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.348 11.494 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -20.875 11.635 3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -19.395 12.279 3.143 1.00 0.00 H new ATOM 554 N PHE A 38 -15.523 8.582 1.637 1.00 0.00 N ATOM 555 CA PHE A 38 -14.228 8.503 0.910 1.00 0.00 C ATOM 556 C PHE A 38 -13.222 9.667 1.073 1.00 0.00 C ATOM 557 O PHE A 38 -12.532 10.087 0.146 1.00 0.00 O ATOM 558 CB PHE A 38 -14.500 8.152 -0.563 1.00 0.00 C ATOM 559 CG PHE A 38 -15.589 9.015 -1.207 1.00 0.00 C ATOM 560 CD1 PHE A 38 -15.278 10.266 -1.724 1.00 0.00 C ATOM 561 CD2 PHE A 38 -16.914 8.590 -1.160 1.00 0.00 C ATOM 562 CE1 PHE A 38 -16.292 11.098 -2.178 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.927 9.426 -1.608 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.616 10.681 -2.115 1.00 0.00 C ATOM 0 H PHE A 38 -15.937 7.659 1.770 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.679 7.706 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.576 8.263 -1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.791 7.104 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.249 10.591 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.153 7.610 -0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.052 12.071 -2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.956 9.101 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.404 11.334 -2.461 1.00 0.00 H new ATOM 574 N PHE A 39 -13.033 10.022 2.341 1.00 0.00 N ATOM 575 CA PHE A 39 -12.226 11.176 2.790 1.00 0.00 C ATOM 576 C PHE A 39 -11.833 10.982 4.269 1.00 0.00 C ATOM 577 O PHE A 39 -10.808 10.366 4.563 1.00 0.00 O ATOM 578 CB PHE A 39 -13.055 12.450 2.550 1.00 0.00 C ATOM 579 CG PHE A 39 -12.300 13.764 2.757 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.626 14.331 1.683 1.00 0.00 C ATOM 581 CD2 PHE A 39 -12.478 14.496 3.928 1.00 0.00 C ATOM 582 CE1 PHE A 39 -11.144 15.632 1.769 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.993 15.796 4.014 1.00 0.00 C ATOM 584 CZ PHE A 39 -11.330 16.365 2.934 1.00 0.00 C ATOM 0 H PHE A 39 -13.446 9.504 3.117 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.295 11.264 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.441 12.427 1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.917 12.435 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.476 13.760 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.992 14.054 4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.625 16.073 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.132 16.364 4.922 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.959 17.377 3.000 1.00 0.00 H new ATOM 594 N GLN A 40 -12.793 11.254 5.155 1.00 0.00 N ATOM 595 CA GLN A 40 -12.669 11.192 6.633 1.00 0.00 C ATOM 596 C GLN A 40 -12.529 9.808 7.312 1.00 0.00 C ATOM 597 O GLN A 40 -12.825 9.643 8.494 1.00 0.00 O ATOM 598 CB GLN A 40 -13.810 12.025 7.241 1.00 0.00 C ATOM 599 CG GLN A 40 -15.211 11.528 6.859 1.00 0.00 C ATOM 600 CD GLN A 40 -16.291 12.492 7.351 1.00 0.00 C ATOM 601 OE1 GLN A 40 -16.687 13.427 6.671 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.792 12.267 8.546 1.00 0.00 N ATOM 0 H GLN A 40 -13.727 11.538 4.859 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.685 11.608 6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.715 12.016 8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.702 13.061 6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.280 11.422 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.379 10.540 7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.452 11.483 9.102 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.521 12.877 8.916 1.00 0.00 H new ATOM 611 N ILE A 41 -11.976 8.852 6.572 1.00 0.00 N ATOM 612 CA ILE A 41 -11.597 7.512 7.084 1.00 0.00 C ATOM 613 C ILE A 41 -10.074 7.285 7.014 1.00 0.00 C ATOM 614 O ILE A 41 -9.495 6.661 7.902 1.00 0.00 O ATOM 615 CB ILE A 41 -12.365 6.321 6.457 1.00 0.00 C ATOM 616 CG1 ILE A 41 -12.115 6.035 4.962 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.851 6.358 6.838 1.00 0.00 C ATOM 618 CD1 ILE A 41 -12.530 7.111 3.951 1.00 0.00 C ATOM 0 H ILE A 41 -11.769 8.975 5.581 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.908 7.529 8.128 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.915 5.441 6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.050 5.844 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.638 5.114 4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.364 5.510 6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.950 6.304 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.296 7.286 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.294 6.773 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.602 7.292 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.989 8.034 4.160 1.00 0.00 H new ATOM 630 N GLY A 42 -9.456 7.826 5.950 1.00 0.00 N ATOM 631 CA GLY A 42 -7.991 7.879 5.776 1.00 0.00 C ATOM 632 C GLY A 42 -7.271 8.640 6.898 1.00 0.00 C ATOM 633 O GLY A 42 -6.329 8.123 7.500 1.00 0.00 O ATOM 0 H GLY A 42 -9.967 8.246 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.601 6.862 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.763 8.353 4.821 1.00 0.00 H new ATOM 637 N GLY A 43 -7.612 9.934 6.962 1.00 0.00 N ATOM 638 CA GLY A 43 -7.188 10.864 8.031 1.00 0.00 C ATOM 639 C GLY A 43 -5.679 11.131 8.126 1.00 0.00 C ATOM 640 O GLY A 43 -4.908 10.292 8.592 1.00 0.00 O ATOM 0 H GLY A 43 -8.203 10.378 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.697 11.816 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.528 10.467 8.988 1.00 0.00 H new ATOM 644 N HIS A 44 -5.375 12.421 7.996 1.00 0.00 N ATOM 645 CA HIS A 44 -4.008 12.991 8.033 1.00 0.00 C ATOM 646 C HIS A 44 -3.462 13.190 9.467 1.00 0.00 C ATOM 647 O HIS A 44 -3.026 14.263 9.883 1.00 0.00 O ATOM 648 CB HIS A 44 -3.966 14.285 7.199 1.00 0.00 C ATOM 649 CG HIS A 44 -4.798 15.466 7.731 1.00 0.00 C ATOM 650 ND1 HIS A 44 -6.050 15.437 8.184 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -4.408 16.737 7.716 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -6.432 16.680 8.446 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -5.415 17.487 8.160 1.00 0.00 N flip ATOM 0 H HIS A 44 -6.092 13.133 7.856 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.332 12.263 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.928 14.607 7.118 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.307 14.053 6.190 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.441 17.099 7.398 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.397 16.983 8.824 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.407 18.502 8.263 1.00 0.00 H new ATOM 662 N SER A 45 -3.582 12.116 10.238 1.00 0.00 N ATOM 663 CA SER A 45 -3.220 12.015 11.670 1.00 0.00 C ATOM 664 C SER A 45 -3.032 10.529 12.034 1.00 0.00 C ATOM 665 O SER A 45 -2.808 9.712 11.140 1.00 0.00 O ATOM 666 CB SER A 45 -4.322 12.674 12.518 1.00 0.00 C ATOM 667 OG SER A 45 -4.314 14.090 12.332 1.00 0.00 O ATOM 0 H SER A 45 -3.953 11.239 9.874 1.00 0.00 H new ATOM 0 HA SER A 45 -2.284 12.537 11.871 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.295 12.270 12.239 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.169 12.438 13.571 1.00 0.00 H new ATOM 0 HG SER A 45 -3.753 14.315 11.560 1.00 0.00 H new ATOM 673 N LEU A 46 -3.223 10.154 13.301 1.00 0.00 N ATOM 674 CA LEU A 46 -3.121 8.747 13.756 1.00 0.00 C ATOM 675 C LEU A 46 -4.131 7.745 13.150 1.00 0.00 C ATOM 676 O LEU A 46 -4.003 6.542 13.365 1.00 0.00 O ATOM 677 CB LEU A 46 -3.125 8.645 15.291 1.00 0.00 C ATOM 678 CG LEU A 46 -4.426 9.082 15.974 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.618 8.268 17.255 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.389 10.571 16.334 1.00 0.00 C ATOM 0 H LEU A 46 -3.453 10.810 14.048 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.156 8.434 13.358 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.917 7.612 15.570 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.308 9.252 15.681 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.251 8.911 15.282 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.542 8.574 17.746 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.673 7.208 17.008 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.776 8.441 17.926 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.325 10.852 16.817 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.559 10.760 17.014 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.257 11.161 15.427 1.00 0.00 H new ATOM 692 N LYS A 47 -5.021 8.230 12.283 1.00 0.00 N ATOM 693 CA LYS A 47 -6.007 7.406 11.550 1.00 0.00 C ATOM 694 C LYS A 47 -5.353 6.283 10.736 1.00 0.00 C ATOM 695 O LYS A 47 -5.484 5.124 11.118 1.00 0.00 O ATOM 696 CB LYS A 47 -6.884 8.292 10.659 1.00 0.00 C ATOM 697 CG LYS A 47 -8.064 8.897 11.420 1.00 0.00 C ATOM 698 CD LYS A 47 -9.145 7.841 11.666 1.00 0.00 C ATOM 699 CE LYS A 47 -10.267 8.358 12.570 1.00 0.00 C ATOM 700 NZ LYS A 47 -11.041 9.454 11.968 1.00 0.00 N ATOM 0 H LYS A 47 -5.085 9.223 12.060 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.636 6.919 12.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.277 9.094 10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.259 7.703 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.721 9.302 12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.482 9.728 10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.566 7.526 10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.692 6.960 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.941 7.535 12.808 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.837 8.700 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.605 9.926 12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.391 10.141 11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.675 9.071 11.238 1.00 0.00 H new ATOM 714 N ALA A 48 -4.507 6.644 9.767 1.00 0.00 N ATOM 715 CA ALA A 48 -3.680 5.679 9.009 1.00 0.00 C ATOM 716 C ALA A 48 -2.892 4.679 9.885 1.00 0.00 C ATOM 717 O ALA A 48 -2.854 3.492 9.566 1.00 0.00 O ATOM 718 CB ALA A 48 -2.722 6.442 8.091 1.00 0.00 C ATOM 0 H ALA A 48 -4.370 7.613 9.480 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.376 5.071 8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.112 5.733 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.295 7.055 7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.076 7.082 8.691 1.00 0.00 H new ATOM 724 N MET A 49 -2.406 5.141 11.040 1.00 0.00 N ATOM 725 CA MET A 49 -1.729 4.308 12.061 1.00 0.00 C ATOM 726 C MET A 49 -2.668 3.264 12.701 1.00 0.00 C ATOM 727 O MET A 49 -2.392 2.066 12.664 1.00 0.00 O ATOM 728 CB MET A 49 -1.120 5.195 13.156 1.00 0.00 C ATOM 729 CG MET A 49 0.004 6.103 12.647 1.00 0.00 C ATOM 730 SD MET A 49 1.523 5.210 12.149 1.00 0.00 S ATOM 731 CE MET A 49 2.187 4.770 13.741 1.00 0.00 C ATOM 0 H MET A 49 -2.469 6.124 11.306 1.00 0.00 H new ATOM 0 HA MET A 49 -0.940 3.761 11.544 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.906 5.812 13.593 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.732 4.561 13.953 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.364 6.675 11.795 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.257 6.821 13.427 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.176 4.329 13.614 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.265 5.662 14.362 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.528 4.048 14.223 1.00 0.00 H new ATOM 741 N ALA A 50 -3.816 3.729 13.195 1.00 0.00 N ATOM 742 CA ALA A 50 -4.901 2.875 13.731 1.00 0.00 C ATOM 743 C ALA A 50 -5.465 1.900 12.678 1.00 0.00 C ATOM 744 O ALA A 50 -5.831 0.765 12.990 1.00 0.00 O ATOM 745 CB ALA A 50 -6.019 3.766 14.276 1.00 0.00 C ATOM 0 H ALA A 50 -4.031 4.725 13.239 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.479 2.264 14.529 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.821 3.143 14.672 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.625 4.399 15.071 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.409 4.392 13.474 1.00 0.00 H new ATOM 751 N VAL A 51 -5.534 2.373 11.434 1.00 0.00 N ATOM 752 CA VAL A 51 -5.866 1.550 10.253 1.00 0.00 C ATOM 753 C VAL A 51 -4.797 0.461 10.047 1.00 0.00 C ATOM 754 O VAL A 51 -5.137 -0.716 10.077 1.00 0.00 O ATOM 755 CB VAL A 51 -6.078 2.423 8.999 1.00 0.00 C ATOM 756 CG1 VAL A 51 -6.407 1.582 7.760 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.227 3.414 9.213 1.00 0.00 C ATOM 0 H VAL A 51 -5.360 3.352 11.206 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.815 1.045 10.432 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.140 2.954 8.835 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.548 2.239 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.586 0.893 7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.321 1.015 7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.358 4.019 8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.147 2.866 9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.995 4.063 10.057 1.00 0.00 H new ATOM 767 N ALA A 52 -3.519 0.841 10.029 1.00 0.00 N ATOM 768 CA ALA A 52 -2.389 -0.111 9.952 1.00 0.00 C ATOM 769 C ALA A 52 -2.458 -1.199 11.039 1.00 0.00 C ATOM 770 O ALA A 52 -2.403 -2.382 10.716 1.00 0.00 O ATOM 771 CB ALA A 52 -1.058 0.638 10.055 1.00 0.00 C ATOM 0 H ALA A 52 -3.228 1.818 10.067 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.460 -0.610 8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.235 -0.074 9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.978 1.353 9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.012 1.169 11.006 1.00 0.00 H new ATOM 777 N ALA A 53 -2.798 -0.788 12.263 1.00 0.00 N ATOM 778 CA ALA A 53 -3.039 -1.700 13.401 1.00 0.00 C ATOM 779 C ALA A 53 -4.142 -2.742 13.127 1.00 0.00 C ATOM 780 O ALA A 53 -3.855 -3.939 13.118 1.00 0.00 O ATOM 781 CB ALA A 53 -3.351 -0.880 14.657 1.00 0.00 C ATOM 0 H ALA A 53 -2.917 0.196 12.502 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.126 -2.275 13.555 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.529 -1.553 15.496 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.507 -0.230 14.886 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.240 -0.273 14.484 1.00 0.00 H new ATOM 787 N GLN A 54 -5.345 -2.285 12.771 1.00 0.00 N ATOM 788 CA GLN A 54 -6.476 -3.180 12.424 1.00 0.00 C ATOM 789 C GLN A 54 -6.249 -4.010 11.143 1.00 0.00 C ATOM 790 O GLN A 54 -6.508 -5.212 11.118 1.00 0.00 O ATOM 791 CB GLN A 54 -7.813 -2.419 12.402 1.00 0.00 C ATOM 792 CG GLN A 54 -7.925 -1.345 11.313 1.00 0.00 C ATOM 793 CD GLN A 54 -9.136 -0.432 11.509 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.226 -0.661 11.008 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.934 0.649 12.231 1.00 0.00 N ATOM 0 H GLN A 54 -5.572 -1.292 12.712 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.529 -3.916 13.226 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.622 -3.138 12.268 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.963 -1.948 13.374 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.017 -0.742 11.308 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.992 -1.827 10.338 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.017 0.824 12.642 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.694 1.312 12.380 1.00 0.00 H new ATOM 804 N VAL A 55 -5.630 -3.396 10.138 1.00 0.00 N ATOM 805 CA VAL A 55 -5.241 -4.062 8.877 1.00 0.00 C ATOM 806 C VAL A 55 -4.143 -5.128 9.101 1.00 0.00 C ATOM 807 O VAL A 55 -4.042 -6.093 8.348 1.00 0.00 O ATOM 808 CB VAL A 55 -4.933 -3.011 7.786 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.484 -3.621 6.456 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.193 -2.197 7.471 1.00 0.00 C ATOM 0 H VAL A 55 -5.377 -2.408 10.167 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.084 -4.638 8.496 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.125 -2.404 8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.286 -2.824 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.576 -4.204 6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.270 -4.270 6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.966 -1.459 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.978 -2.864 7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.532 -1.688 8.373 1.00 0.00 H new ATOM 820 N HIS A 56 -3.320 -4.941 10.129 1.00 0.00 N ATOM 821 CA HIS A 56 -2.428 -5.998 10.641 1.00 0.00 C ATOM 822 C HIS A 56 -3.228 -7.101 11.368 1.00 0.00 C ATOM 823 O HIS A 56 -3.524 -8.129 10.766 1.00 0.00 O ATOM 824 CB HIS A 56 -1.345 -5.365 11.528 1.00 0.00 C ATOM 825 CG HIS A 56 -0.088 -6.219 11.754 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.953 -5.838 12.488 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.236 -7.369 11.164 1.00 0.00 C ATOM 828 CE1 HIS A 56 1.921 -6.740 12.340 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.476 -7.687 11.521 1.00 0.00 N ATOM 0 H HIS A 56 -3.246 -4.058 10.635 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.930 -6.492 9.806 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.043 -4.418 11.081 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.785 -5.134 12.498 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.400 -7.944 10.508 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.896 -6.708 12.804 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.994 -8.512 11.220 1.00 0.00 H new ATOM 838 N ARG A 57 -3.791 -6.774 12.531 1.00 0.00 N ATOM 839 CA ARG A 57 -4.450 -7.752 13.429 1.00 0.00 C ATOM 840 C ARG A 57 -5.714 -8.478 12.917 1.00 0.00 C ATOM 841 O ARG A 57 -6.088 -9.518 13.459 1.00 0.00 O ATOM 842 CB ARG A 57 -4.721 -7.122 14.805 1.00 0.00 C ATOM 843 CG ARG A 57 -5.767 -5.998 14.797 1.00 0.00 C ATOM 844 CD ARG A 57 -6.905 -6.276 15.784 1.00 0.00 C ATOM 845 NE ARG A 57 -7.716 -7.434 15.356 1.00 0.00 N ATOM 846 CZ ARG A 57 -9.045 -7.472 15.226 1.00 0.00 C ATOM 847 NH1 ARG A 57 -9.818 -6.414 15.429 1.00 0.00 N ATOM 848 NH2 ARG A 57 -9.629 -8.599 14.843 1.00 0.00 N ATOM 0 H ARG A 57 -3.808 -5.819 12.889 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.714 -8.554 13.485 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.051 -7.903 15.489 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.785 -6.727 15.200 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.287 -5.053 15.051 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.175 -5.888 13.792 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.492 -6.465 16.775 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.541 -5.395 15.867 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.210 -8.292 15.137 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.402 -5.522 15.697 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.829 -6.492 15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.064 -9.426 14.651 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.643 -8.639 14.741 1.00 0.00 H new ATOM 862 N GLU A 58 -6.464 -7.813 12.042 1.00 0.00 N ATOM 863 CA GLU A 58 -7.742 -8.317 11.498 1.00 0.00 C ATOM 864 C GLU A 58 -7.679 -8.633 9.992 1.00 0.00 C ATOM 865 O GLU A 58 -8.293 -9.595 9.541 1.00 0.00 O ATOM 866 CB GLU A 58 -8.810 -7.252 11.778 1.00 0.00 C ATOM 867 CG GLU A 58 -10.245 -7.708 11.493 1.00 0.00 C ATOM 868 CD GLU A 58 -11.236 -6.563 11.718 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.041 -5.500 11.086 1.00 0.00 O ATOM 870 OE2 GLU A 58 -12.221 -6.805 12.449 1.00 0.00 O ATOM 0 H GLU A 58 -6.206 -6.895 11.680 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.981 -9.263 11.985 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.738 -6.948 12.822 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.595 -6.371 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.321 -8.063 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.500 -8.547 12.140 1.00 0.00 H new ATOM 877 N TYR A 59 -7.064 -7.734 9.222 1.00 0.00 N ATOM 878 CA TYR A 59 -6.908 -7.902 7.762 1.00 0.00 C ATOM 879 C TYR A 59 -5.716 -8.786 7.340 1.00 0.00 C ATOM 880 O TYR A 59 -5.649 -9.207 6.187 1.00 0.00 O ATOM 881 CB TYR A 59 -6.810 -6.543 7.056 1.00 0.00 C ATOM 882 CG TYR A 59 -8.073 -5.674 6.967 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.897 -5.418 8.063 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.279 -4.963 5.790 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.897 -4.459 7.982 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.282 -4.008 5.702 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.087 -3.748 6.803 1.00 0.00 C ATOM 888 OH TYR A 59 -11.048 -2.792 6.737 1.00 0.00 O ATOM 0 H TYR A 59 -6.659 -6.870 9.583 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.810 -8.428 7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.041 -5.960 7.563 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.457 -6.721 6.040 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.756 -5.970 8.981 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.650 -5.156 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.528 -4.265 8.836 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.436 -3.468 4.779 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.664 -1.966 6.375 1.00 0.00 H new ATOM 898 N GLN A 60 -4.738 -8.934 8.240 1.00 0.00 N ATOM 899 CA GLN A 60 -3.467 -9.689 8.112 1.00 0.00 C ATOM 900 C GLN A 60 -2.447 -9.051 7.145 1.00 0.00 C ATOM 901 O GLN A 60 -1.349 -8.692 7.567 1.00 0.00 O ATOM 902 CB GLN A 60 -3.753 -11.165 7.792 1.00 0.00 C ATOM 903 CG GLN A 60 -2.782 -12.143 8.463 1.00 0.00 C ATOM 904 CD GLN A 60 -1.517 -12.417 7.645 1.00 0.00 C ATOM 905 OE1 GLN A 60 -1.522 -13.127 6.651 1.00 0.00 O ATOM 906 NE2 GLN A 60 -0.393 -11.877 8.062 1.00 0.00 N ATOM 0 H GLN A 60 -4.812 -8.495 9.158 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.972 -9.640 9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.769 -11.405 8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.710 -11.308 6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.495 -11.745 9.436 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.298 -13.086 8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.389 -11.284 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.475 -12.051 7.555 1.00 0.00 H new ATOM 915 N VAL A 61 -2.940 -8.662 5.972 1.00 0.00 N ATOM 916 CA VAL A 61 -2.186 -8.063 4.846 1.00 0.00 C ATOM 917 C VAL A 61 -1.726 -6.587 5.019 1.00 0.00 C ATOM 918 O VAL A 61 -1.452 -5.887 4.048 1.00 0.00 O ATOM 919 CB VAL A 61 -3.028 -8.341 3.577 1.00 0.00 C ATOM 920 CG1 VAL A 61 -4.326 -7.523 3.497 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.208 -8.271 2.284 1.00 0.00 C ATOM 0 H VAL A 61 -3.933 -8.757 5.758 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.206 -8.535 4.779 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.348 -9.378 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.859 -7.775 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.955 -7.753 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.087 -6.460 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.855 -8.475 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.775 -7.276 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.410 -9.012 2.319 1.00 0.00 H new ATOM 931 N GLU A 62 -1.537 -6.174 6.272 1.00 0.00 N ATOM 932 CA GLU A 62 -1.070 -4.843 6.748 1.00 0.00 C ATOM 933 C GLU A 62 -0.585 -3.774 5.732 1.00 0.00 C ATOM 934 O GLU A 62 0.599 -3.444 5.650 1.00 0.00 O ATOM 935 CB GLU A 62 -0.043 -5.069 7.874 1.00 0.00 C ATOM 936 CG GLU A 62 1.177 -5.906 7.453 1.00 0.00 C ATOM 937 CD GLU A 62 2.260 -6.054 8.530 1.00 0.00 C ATOM 938 OE1 GLU A 62 2.383 -5.138 9.381 1.00 0.00 O ATOM 939 OE2 GLU A 62 3.017 -7.042 8.420 1.00 0.00 O ATOM 0 H GLU A 62 -1.717 -6.802 7.055 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.987 -4.358 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.302 -4.101 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.539 -5.564 8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.835 -6.900 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.624 -5.452 6.569 1.00 0.00 H new ATOM 946 N LEU A 63 -1.542 -3.136 5.055 1.00 0.00 N ATOM 947 CA LEU A 63 -1.235 -2.063 4.083 1.00 0.00 C ATOM 948 C LEU A 63 -1.932 -0.704 4.344 1.00 0.00 C ATOM 949 O LEU A 63 -3.001 -0.421 3.792 1.00 0.00 O ATOM 950 CB LEU A 63 -1.373 -2.566 2.629 1.00 0.00 C ATOM 951 CG LEU A 63 -2.776 -2.794 2.037 1.00 0.00 C ATOM 952 CD1 LEU A 63 -2.645 -3.062 0.538 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.529 -3.958 2.681 1.00 0.00 C ATOM 0 H LEU A 63 -2.537 -3.337 5.156 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.185 -1.819 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.859 -1.852 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.830 -3.509 2.556 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.353 -1.891 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.634 -3.225 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.177 -2.204 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.031 -3.948 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.509 -4.060 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.963 -4.879 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.653 -3.766 3.747 1.00 0.00 H new ATOM 965 N PRO A 64 -1.323 0.160 5.174 1.00 0.00 N ATOM 966 CA PRO A 64 -1.853 1.509 5.469 1.00 0.00 C ATOM 967 C PRO A 64 -1.823 2.412 4.229 1.00 0.00 C ATOM 968 O PRO A 64 -0.983 2.245 3.349 1.00 0.00 O ATOM 969 CB PRO A 64 -0.956 2.055 6.581 1.00 0.00 C ATOM 970 CG PRO A 64 0.378 1.349 6.341 1.00 0.00 C ATOM 971 CD PRO A 64 -0.036 -0.048 5.871 1.00 0.00 C ATOM 0 HA PRO A 64 -2.899 1.473 5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.854 3.138 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.358 1.829 7.569 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.975 1.865 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.978 1.305 7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.711 -0.480 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.147 -0.733 6.712 1.00 0.00 H new ATOM 979 N LEU A 65 -2.770 3.350 4.196 1.00 0.00 N ATOM 980 CA LEU A 65 -3.027 4.309 3.094 1.00 0.00 C ATOM 981 C LEU A 65 -3.492 3.666 1.774 1.00 0.00 C ATOM 982 O LEU A 65 -4.589 3.972 1.319 1.00 0.00 O ATOM 983 CB LEU A 65 -1.829 5.231 2.828 1.00 0.00 C ATOM 984 CG LEU A 65 -2.265 6.689 2.652 1.00 0.00 C ATOM 985 CD1 LEU A 65 -2.470 7.360 4.015 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.250 7.457 1.805 1.00 0.00 C ATOM 0 H LEU A 65 -3.419 3.477 4.973 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.863 4.903 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.124 5.159 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.305 4.897 1.933 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.219 6.703 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.779 8.395 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.241 6.826 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.536 7.337 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.578 8.490 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.277 7.437 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.170 6.992 0.822 1.00 0.00 H new ATOM 998 N LYS A 66 -2.787 2.631 1.322 1.00 0.00 N ATOM 999 CA LYS A 66 -3.080 1.859 0.093 1.00 0.00 C ATOM 1000 C LYS A 66 -4.535 1.357 0.033 1.00 0.00 C ATOM 1001 O LYS A 66 -5.369 2.026 -0.577 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.063 0.717 -0.019 1.00 0.00 C ATOM 1003 CG LYS A 66 -0.670 1.238 -0.393 1.00 0.00 C ATOM 1004 CD LYS A 66 0.445 0.250 -0.041 1.00 0.00 C ATOM 1005 CE LYS A 66 0.780 0.292 1.453 1.00 0.00 C ATOM 1006 NZ LYS A 66 1.841 -0.663 1.799 1.00 0.00 N ATOM 0 H LYS A 66 -1.962 2.285 1.813 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.980 2.518 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.010 0.182 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.399 0.002 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.640 1.447 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.489 2.182 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.140 -0.759 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.337 0.484 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.093 1.299 1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.115 0.067 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.041 -0.606 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.532 -1.627 1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.703 -0.433 1.264 1.00 0.00 H new ATOM 1020 N VAL A 67 -4.861 0.401 0.908 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.224 -0.164 1.043 1.00 0.00 C ATOM 1022 C VAL A 67 -7.306 0.868 1.457 1.00 0.00 C ATOM 1023 O VAL A 67 -8.463 0.789 1.055 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.150 -1.402 1.962 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.206 -1.110 3.469 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.142 -2.480 1.525 1.00 0.00 C ATOM 0 H VAL A 67 -4.186 -0.012 1.552 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.570 -0.476 0.058 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.143 -1.796 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.147 -2.047 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.368 -0.470 3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.142 -0.606 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.064 -3.338 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.155 -2.080 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.915 -2.792 0.506 1.00 0.00 H new ATOM 1036 N LEU A 68 -6.819 1.960 2.033 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.597 2.995 2.737 1.00 0.00 C ATOM 1038 C LEU A 68 -8.019 4.192 1.858 1.00 0.00 C ATOM 1039 O LEU A 68 -8.945 4.917 2.213 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.695 3.404 3.906 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.221 4.480 4.857 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.469 4.021 5.618 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.087 4.868 5.807 1.00 0.00 C ATOM 0 H LEU A 68 -5.820 2.167 2.026 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.562 2.606 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.479 2.511 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.747 3.752 3.495 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.536 5.350 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.805 4.819 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.260 3.781 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.230 3.136 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.437 5.636 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.769 3.991 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.246 5.254 5.231 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.209 4.484 0.840 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.455 5.554 -0.147 1.00 0.00 C ATOM 1057 C PHE A 69 -7.846 5.033 -1.538 1.00 0.00 C ATOM 1058 O PHE A 69 -8.722 5.615 -2.174 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.212 6.445 -0.283 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.067 7.515 0.806 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.968 7.189 2.155 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -5.910 8.838 0.409 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.711 8.180 3.094 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -5.651 9.830 1.346 1.00 0.00 C ATOM 1065 CZ PHE A 69 -5.552 9.501 2.692 1.00 0.00 C ATOM 0 H PHE A 69 -6.342 3.976 0.668 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.303 6.122 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.325 5.812 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.239 6.937 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.091 6.164 2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.990 9.097 -0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.634 7.923 4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.527 10.855 1.029 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.352 10.269 3.424 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.200 3.959 -1.997 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.525 3.329 -3.297 1.00 0.00 C ATOM 1077 C ALA A 70 -8.895 2.627 -3.277 1.00 0.00 C ATOM 1078 O ALA A 70 -9.648 2.690 -4.246 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.414 2.356 -3.704 1.00 0.00 C ATOM 0 H ALA A 70 -6.443 3.499 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.590 4.122 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.664 1.899 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.472 2.897 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.315 1.579 -2.946 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.159 1.905 -2.187 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.491 1.345 -1.895 1.00 0.00 C ATOM 1087 C GLN A 71 -11.048 1.810 -0.523 1.00 0.00 C ATOM 1088 O GLN A 71 -11.338 0.979 0.342 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.493 -0.185 -2.103 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.496 -1.020 -1.284 1.00 0.00 C ATOM 1091 CD GLN A 71 -8.075 -1.008 -1.855 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.295 -0.078 -1.701 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.695 -2.075 -2.513 1.00 0.00 N ATOM 0 H GLN A 71 -8.459 1.689 -1.478 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.201 1.752 -2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.496 -0.552 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.305 -0.380 -3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.471 -0.642 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.851 -2.050 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.343 -2.852 -2.643 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.751 -2.129 -2.895 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.417 3.101 -0.409 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.828 3.749 0.860 1.00 0.00 C ATOM 1104 C PRO A 72 -13.265 3.422 1.328 1.00 0.00 C ATOM 1105 O PRO A 72 -13.907 4.202 2.032 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.651 5.240 0.563 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.066 5.354 -0.902 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.522 4.068 -1.525 1.00 0.00 C ATOM 0 HA PRO A 72 -11.229 3.385 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.277 5.856 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.621 5.562 0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.148 5.426 -1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.640 6.240 -1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.188 3.697 -2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.551 4.238 -1.990 1.00 0.00 H new ATOM 1116 N THR A 73 -13.691 2.202 1.020 1.00 0.00 N ATOM 1117 CA THR A 73 -15.066 1.706 1.242 1.00 0.00 C ATOM 1118 C THR A 73 -15.056 0.263 1.760 1.00 0.00 C ATOM 1119 O THR A 73 -14.404 -0.607 1.178 1.00 0.00 O ATOM 1120 CB THR A 73 -15.926 1.827 -0.035 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.240 1.329 0.238 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.333 1.172 -1.289 1.00 0.00 C ATOM 0 H THR A 73 -13.081 1.503 0.597 1.00 0.00 H new ATOM 0 HA THR A 73 -15.520 2.337 2.006 1.00 0.00 H new ATOM 0 HB THR A 73 -15.958 2.888 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.438 1.435 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.013 1.313 -2.129 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.372 1.631 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.193 0.106 -1.111 1.00 0.00 H new ATOM 1130 N ILE A 74 -15.916 0.009 2.744 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.084 -1.331 3.342 1.00 0.00 C ATOM 1132 C ILE A 74 -16.477 -2.442 2.353 1.00 0.00 C ATOM 1133 O ILE A 74 -16.014 -3.567 2.514 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.907 -1.243 4.649 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -15.969 -0.912 5.820 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -17.817 -2.437 4.984 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -14.842 -1.933 6.057 1.00 0.00 C ATOM 0 H ILE A 74 -16.520 0.721 3.155 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.097 -1.686 3.639 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.623 -0.440 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.522 0.066 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.563 -0.831 6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.336 -2.247 5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.548 -2.572 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.213 -3.339 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.234 -1.613 6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.275 -2.910 6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.218 -1.999 5.166 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.163 -2.066 1.274 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.498 -2.975 0.158 1.00 0.00 C ATOM 1151 C LYS A 75 -16.211 -3.606 -0.420 1.00 0.00 C ATOM 1152 O LYS A 75 -15.866 -4.743 -0.091 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.321 -2.165 -0.858 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.823 -2.961 -2.071 1.00 0.00 C ATOM 1155 CD LYS A 75 -17.902 -2.894 -3.298 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.078 -1.629 -4.152 1.00 0.00 C ATOM 1157 NZ LYS A 75 -17.581 -0.394 -3.526 1.00 0.00 N ATOM 0 H LYS A 75 -17.509 -1.116 1.141 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.103 -3.822 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.181 -1.734 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.713 -1.334 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.946 -4.004 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.809 -2.590 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.866 -2.951 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.084 -3.768 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.562 -1.773 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.137 -1.505 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.421 0.326 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.283 -0.044 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.687 -0.590 -3.032 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.380 -2.754 -1.018 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.078 -3.158 -1.583 1.00 0.00 C ATOM 1173 C ALA A 76 -13.065 -3.656 -0.535 1.00 0.00 C ATOM 1174 O ALA A 76 -12.349 -4.618 -0.799 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.507 -2.014 -2.416 1.00 0.00 C ATOM 0 H ALA A 76 -15.584 -1.761 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.263 -4.022 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.545 -2.313 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.196 -1.775 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.372 -1.136 -1.784 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.082 -3.082 0.671 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.282 -3.589 1.811 1.00 0.00 C ATOM 1183 C LEU A 77 -12.612 -5.055 2.158 1.00 0.00 C ATOM 1184 O LEU A 77 -11.715 -5.899 2.189 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.446 -2.681 3.039 1.00 0.00 C ATOM 1186 CG LEU A 77 -11.843 -1.280 2.850 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.272 -0.343 3.979 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.317 -1.331 2.834 1.00 0.00 C ATOM 0 H LEU A 77 -13.643 -2.259 0.893 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.237 -3.568 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.507 -2.583 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.975 -3.158 3.899 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.210 -0.907 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.832 0.642 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.359 -0.258 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.932 -0.744 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.921 -0.325 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.957 -1.739 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.983 -1.966 2.013 1.00 0.00 H new ATOM 1200 N ALA A 78 -13.907 -5.378 2.190 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.405 -6.762 2.346 1.00 0.00 C ATOM 1202 C ALA A 78 -13.991 -7.676 1.179 1.00 0.00 C ATOM 1203 O ALA A 78 -13.604 -8.813 1.421 1.00 0.00 O ATOM 1204 CB ALA A 78 -15.929 -6.775 2.510 1.00 0.00 C ATOM 0 H ALA A 78 -14.652 -4.686 2.108 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.941 -7.160 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.274 -7.803 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.205 -6.200 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.394 -6.331 1.629 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.012 -7.158 -0.049 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.456 -7.868 -1.224 1.00 0.00 C ATOM 1212 C GLN A 79 -11.951 -8.174 -1.121 1.00 0.00 C ATOM 1213 O GLN A 79 -11.536 -9.317 -1.296 1.00 0.00 O ATOM 1214 CB GLN A 79 -13.770 -7.108 -2.518 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.130 -7.488 -3.118 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.323 -7.176 -2.211 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -16.942 -6.124 -2.275 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -16.672 -8.112 -1.355 1.00 0.00 N ATOM 0 H GLN A 79 -14.409 -6.244 -0.267 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.953 -8.838 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.753 -6.037 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.987 -7.307 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.258 -6.960 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.129 -8.554 -3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.147 -8.985 -1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.468 -7.964 -0.734 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.186 -7.165 -0.711 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.729 -7.261 -0.483 1.00 0.00 C ATOM 1229 C TYR A 80 -9.277 -8.184 0.662 1.00 0.00 C ATOM 1230 O TYR A 80 -8.128 -8.622 0.676 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.133 -5.858 -0.344 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.687 -5.335 -1.712 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.609 -4.848 -2.633 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.354 -5.458 -2.077 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.199 -4.476 -3.906 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.939 -5.085 -3.348 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.859 -4.581 -4.258 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.408 -3.977 -5.386 1.00 0.00 O ATOM 0 H TYR A 80 -11.560 -6.235 -0.522 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.335 -7.758 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.871 -5.183 0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.284 -5.882 0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.649 -4.759 -2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.636 -5.846 -1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.919 -4.106 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.901 -5.187 -3.629 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.448 -4.147 -5.487 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.137 -8.370 1.663 1.00 0.00 N ATOM 1249 CA VAL A 81 -9.889 -9.374 2.721 1.00 0.00 C ATOM 1250 C VAL A 81 -10.849 -10.574 2.722 1.00 0.00 C ATOM 1251 O VAL A 81 -10.501 -11.619 2.176 1.00 0.00 O ATOM 1252 CB VAL A 81 -9.642 -8.787 4.125 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.254 -8.149 4.143 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -10.699 -7.781 4.597 1.00 0.00 C ATOM 0 H VAL A 81 -11.007 -7.848 1.772 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.929 -9.797 2.423 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.713 -9.614 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.060 -7.727 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.503 -8.906 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.207 -7.358 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.441 -7.423 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.733 -6.938 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.675 -8.266 4.627 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.082 -10.370 3.183 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.130 -11.410 3.283 1.00 0.00 C ATOM 1266 C ALA A 82 -13.767 -11.775 1.920 1.00 0.00 C ATOM 1267 O ALA A 82 -14.953 -11.570 1.649 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.166 -10.942 4.310 1.00 0.00 C ATOM 0 H ALA A 82 -12.398 -9.456 3.508 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.673 -12.341 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.951 -11.692 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.682 -10.802 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.603 -9.999 3.982 1.00 0.00 H new ATOM 1274 N THR A 83 -12.892 -12.255 1.043 1.00 0.00 N ATOM 1275 CA THR A 83 -13.163 -12.749 -0.328 1.00 0.00 C ATOM 1276 C THR A 83 -11.973 -13.616 -0.796 1.00 0.00 C ATOM 1277 O THR A 83 -12.188 -14.772 -1.147 1.00 0.00 O ATOM 1278 CB THR A 83 -13.482 -11.602 -1.315 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.667 -10.913 -0.894 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.682 -12.069 -2.762 1.00 0.00 C ATOM 0 H THR A 83 -11.901 -12.319 1.275 1.00 0.00 H new ATOM 0 HA THR A 83 -14.061 -13.367 -0.308 1.00 0.00 H new ATOM 0 HB THR A 83 -12.612 -10.946 -1.301 1.00 0.00 H new ATOM 0 HG1 THR A 83 -15.041 -11.357 -0.105 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.902 -11.209 -3.395 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.774 -12.557 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.513 -12.773 -2.805 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.747 -13.081 -0.746 1.00 0.00 N ATOM 1289 CA ARG A 84 -9.539 -13.893 -1.040 1.00 0.00 C ATOM 1290 C ARG A 84 -8.669 -14.292 0.172 1.00 0.00 C ATOM 1291 O ARG A 84 -8.149 -15.405 0.209 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.671 -13.283 -2.158 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.846 -12.035 -1.804 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.668 -10.748 -1.667 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.205 -10.284 -2.963 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.518 -9.736 -3.969 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.294 -9.250 -3.807 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -9.135 -9.465 -5.110 1.00 0.00 N ATOM 0 H ARG A 84 -10.557 -12.107 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.968 -14.831 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.985 -14.053 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.324 -13.031 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.320 -12.217 -0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.087 -11.887 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.493 -10.918 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.045 -9.966 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.209 -10.394 -3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.847 -9.288 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.800 -8.839 -4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.128 -9.675 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.617 -9.047 -5.883 1.00 0.00 H new ATOM 1312 N SER A 85 -8.630 -13.428 1.191 1.00 0.00 N ATOM 1313 CA SER A 85 -7.849 -13.553 2.451 1.00 0.00 C ATOM 1314 C SER A 85 -6.315 -13.552 2.310 1.00 0.00 C ATOM 1315 O SER A 85 -5.689 -12.752 3.040 1.00 0.00 O ATOM 1316 CB SER A 85 -8.283 -14.780 3.264 1.00 0.00 C ATOM 1317 OG SER A 85 -7.676 -14.754 4.557 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.808 -14.211 1.375 1.00 99.99 O ATOM 0 H SER A 85 -9.173 -12.565 1.168 1.00 0.00 H new ATOM 0 HA SER A 85 -8.092 -12.630 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.368 -14.794 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.999 -15.692 2.739 1.00 0.00 H new ATOM 0 HG SER A 85 -7.961 -15.540 5.068 1.00 0.00 H new TER 1324 SER A 85