USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 689 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 77 HIS : no HD1:sc= -4.04! X(o=-9.4!,f=-9.2) USER MOD Set 1.2: A 78 HIS : no HE2:sc= -5.38! C(o=-9.4!,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -2.74! K(o=-2.7!,f=-0.82) USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0755) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.0127 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.68 K(o=-1.7,f=-5.2!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.32) USER MOD Single : A 37 ASN : amide:sc= -0.0145 X(o=-0.015,f=-0.015) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.136 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.2) USER MOD Single : A 44 SER OG : rot -63:sc= 0.518 USER MOD Single : A 45 TYR OH : rot 100:sc= -2.36 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -6.66! K(o=-6.7!,f=-3) USER MOD Single : A 66 HIS : no HE2:sc= -0.886 K(o=-0.89,f=-2.3) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -1.06! (180deg=-2.66) USER MOD Single : A 80 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.7!) USER MOD Single : A 81 GLN : amide:sc= -4.2! C(o=-4.2!,f=-5.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.976 -13.959 4.236 1.00 1.00 N ATOM 2 CA MET A 1 -22.650 -15.180 3.447 1.00 1.00 C ATOM 3 C MET A 1 -21.146 -15.432 3.510 1.00 1.00 C ATOM 4 O MET A 1 -20.701 -16.504 3.925 1.00 1.00 O ATOM 5 CB MET A 1 -23.089 -14.975 1.992 1.00 1.00 C ATOM 6 CG MET A 1 -22.856 -16.260 1.191 1.00 1.00 C ATOM 7 SD MET A 1 -23.487 -16.045 -0.492 1.00 1.00 S ATOM 8 CE MET A 1 -23.703 -17.799 -0.891 1.00 1.00 C ATOM 0 H1 MET A 1 -24.000 -13.783 4.196 1.00 1.00 H new ATOM 0 H2 MET A 1 -22.687 -14.097 5.225 1.00 1.00 H new ATOM 0 H3 MET A 1 -22.469 -13.143 3.838 1.00 1.00 H new ATOM 0 HA MET A 1 -23.175 -16.041 3.860 1.00 1.00 H new ATOM 0 HB2 MET A 1 -24.143 -14.700 1.956 1.00 1.00 H new ATOM 0 HB3 MET A 1 -22.530 -14.152 1.547 1.00 1.00 H new ATOM 0 HG2 MET A 1 -21.792 -16.497 1.165 1.00 1.00 H new ATOM 0 HG3 MET A 1 -23.357 -17.098 1.674 1.00 1.00 H new ATOM 0 HE1 MET A 1 -24.091 -17.896 -1.905 1.00 1.00 H new ATOM 0 HE2 MET A 1 -22.742 -18.309 -0.820 1.00 1.00 H new ATOM 0 HE3 MET A 1 -24.405 -18.248 -0.189 1.00 1.00 H new ATOM 20 N ASN A 2 -20.368 -14.434 3.093 1.00 1.00 N ATOM 21 CA ASN A 2 -18.907 -14.542 3.097 1.00 1.00 C ATOM 22 C ASN A 2 -18.357 -14.311 4.504 1.00 1.00 C ATOM 23 O ASN A 2 -19.115 -14.101 5.449 1.00 1.00 O ATOM 24 CB ASN A 2 -18.306 -13.517 2.134 1.00 1.00 C ATOM 25 CG ASN A 2 -18.789 -12.115 2.488 1.00 1.00 C ATOM 26 OD1 ASN A 2 -19.429 -11.454 1.670 1.00 1.00 O ATOM 27 ND2 ASN A 2 -18.522 -11.617 3.666 1.00 1.00 N ATOM 0 H ASN A 2 -20.723 -13.542 2.748 1.00 1.00 H new ATOM 0 HA ASN A 2 -18.633 -15.546 2.774 1.00 1.00 H new ATOM 0 HB2 ASN A 2 -17.218 -13.557 2.181 1.00 1.00 H new ATOM 0 HB3 ASN A 2 -18.590 -13.759 1.110 1.00 1.00 H new ATOM 0 HD21 ASN A 2 -18.844 -10.680 3.908 1.00 1.00 H new ATOM 0 HD22 ASN A 2 -17.992 -12.165 4.343 1.00 1.00 H new ATOM 34 N GLU A 3 -17.031 -14.362 4.635 1.00 1.00 N ATOM 35 CA GLU A 3 -16.384 -14.163 5.933 1.00 1.00 C ATOM 36 C GLU A 3 -14.896 -13.867 5.743 1.00 1.00 C ATOM 37 O GLU A 3 -14.303 -14.266 4.743 1.00 1.00 O ATOM 38 CB GLU A 3 -16.560 -15.414 6.807 1.00 1.00 C ATOM 39 CG GLU A 3 -15.992 -16.641 6.086 1.00 1.00 C ATOM 40 CD GLU A 3 -16.250 -17.896 6.915 1.00 1.00 C ATOM 41 OE1 GLU A 3 -16.108 -17.822 8.124 1.00 1.00 O ATOM 42 OE2 GLU A 3 -16.583 -18.913 6.328 1.00 1.00 O ATOM 0 H GLU A 3 -16.387 -14.538 3.864 1.00 1.00 H new ATOM 0 HA GLU A 3 -16.852 -13.313 6.429 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -16.052 -15.275 7.761 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -17.616 -15.568 7.027 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -16.453 -16.742 5.104 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -14.921 -16.515 5.924 1.00 1.00 H new ATOM 49 N ALA A 4 -14.308 -13.163 6.714 1.00 1.00 N ATOM 50 CA ALA A 4 -12.884 -12.804 6.670 1.00 1.00 C ATOM 51 C ALA A 4 -12.634 -11.653 5.690 1.00 1.00 C ATOM 52 O ALA A 4 -13.404 -11.439 4.755 1.00 1.00 O ATOM 53 CB ALA A 4 -12.020 -14.034 6.291 1.00 1.00 C ATOM 0 H ALA A 4 -14.797 -12.828 7.544 1.00 1.00 H new ATOM 0 HA ALA A 4 -12.594 -12.470 7.666 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -10.969 -13.746 6.264 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -12.162 -14.821 7.032 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -12.321 -14.401 5.310 1.00 1.00 H new ATOM 59 N LYS A 5 -11.543 -10.917 5.922 1.00 1.00 N ATOM 60 CA LYS A 5 -11.184 -9.788 5.059 1.00 1.00 C ATOM 61 C LYS A 5 -9.738 -9.336 5.304 1.00 1.00 C ATOM 62 O LYS A 5 -9.015 -9.927 6.107 1.00 1.00 O ATOM 63 CB LYS A 5 -12.176 -8.617 5.275 1.00 1.00 C ATOM 64 CG LYS A 5 -12.569 -8.507 6.757 1.00 1.00 C ATOM 65 CD LYS A 5 -11.315 -8.378 7.644 1.00 1.00 C ATOM 66 CE LYS A 5 -11.710 -7.931 9.057 1.00 1.00 C ATOM 67 NZ LYS A 5 -12.529 -8.992 9.704 1.00 1.00 N ATOM 0 H LYS A 5 -10.897 -11.081 6.694 1.00 1.00 H new ATOM 0 HA LYS A 5 -11.251 -10.115 4.021 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -11.722 -7.683 4.943 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -13.068 -8.772 4.667 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -13.215 -7.642 6.904 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -13.141 -9.386 7.053 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -10.793 -9.334 7.690 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -10.624 -7.658 7.207 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -10.817 -7.734 9.650 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -12.274 -6.999 9.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -12.682 -8.751 10.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -13.447 -9.065 9.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -12.031 -9.903 9.640 1.00 1.00 H new ATOM 81 N GLY A 6 -9.334 -8.271 4.593 1.00 1.00 N ATOM 82 CA GLY A 6 -7.974 -7.712 4.712 1.00 1.00 C ATOM 83 C GLY A 6 -8.006 -6.308 5.306 1.00 1.00 C ATOM 84 O GLY A 6 -8.309 -6.134 6.486 1.00 1.00 O ATOM 0 H GLY A 6 -9.930 -7.778 3.928 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -7.364 -8.362 5.340 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -7.502 -7.684 3.730 1.00 1.00 H new ATOM 88 N VAL A 7 -7.680 -5.306 4.481 1.00 1.00 N ATOM 89 CA VAL A 7 -7.657 -3.901 4.917 1.00 1.00 C ATOM 90 C VAL A 7 -8.474 -3.053 3.957 1.00 1.00 C ATOM 91 O VAL A 7 -8.678 -3.437 2.809 1.00 1.00 O ATOM 92 CB VAL A 7 -6.205 -3.406 4.956 1.00 1.00 C ATOM 93 CG1 VAL A 7 -6.133 -2.022 5.618 1.00 1.00 C ATOM 94 CG2 VAL A 7 -5.370 -4.406 5.759 1.00 1.00 C ATOM 0 H VAL A 7 -7.427 -5.441 3.502 1.00 1.00 H new ATOM 0 HA VAL A 7 -8.091 -3.819 5.914 1.00 1.00 H new ATOM 0 HB VAL A 7 -5.819 -3.324 3.940 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -5.097 -1.682 5.639 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -6.735 -1.314 5.048 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -6.515 -2.086 6.637 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -4.334 -4.068 5.796 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -5.765 -4.478 6.772 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -5.416 -5.385 5.281 1.00 1.00 H new ATOM 104 N TYR A 8 -8.949 -1.900 4.440 1.00 1.00 N ATOM 105 CA TYR A 8 -9.768 -0.983 3.632 1.00 1.00 C ATOM 106 C TYR A 8 -9.135 0.407 3.571 1.00 1.00 C ATOM 107 O TYR A 8 -8.715 0.952 4.592 1.00 1.00 O ATOM 108 CB TYR A 8 -11.150 -0.873 4.270 1.00 1.00 C ATOM 109 CG TYR A 8 -11.796 -2.248 4.301 1.00 1.00 C ATOM 110 CD1 TYR A 8 -12.549 -2.693 3.206 1.00 1.00 C ATOM 111 CD2 TYR A 8 -11.641 -3.075 5.426 1.00 1.00 C ATOM 112 CE1 TYR A 8 -13.144 -3.961 3.236 1.00 1.00 C ATOM 113 CE2 TYR A 8 -12.239 -4.341 5.453 1.00 1.00 C ATOM 114 CZ TYR A 8 -12.991 -4.784 4.359 1.00 1.00 C ATOM 115 OH TYR A 8 -13.583 -6.033 4.385 1.00 1.00 O ATOM 0 H TYR A 8 -8.780 -1.576 5.392 1.00 1.00 H new ATOM 0 HA TYR A 8 -9.839 -1.375 2.617 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -11.066 -0.474 5.281 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -11.771 -0.179 3.704 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -12.670 -2.059 2.340 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -11.060 -2.734 6.270 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -13.722 -4.305 2.391 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -12.120 -4.976 6.319 1.00 1.00 H new ATOM 0 HH TYR A 8 -13.642 -6.386 3.473 1.00 1.00 H new ATOM 125 N VAL A 9 -9.076 0.979 2.367 1.00 1.00 N ATOM 126 CA VAL A 9 -8.498 2.313 2.169 1.00 1.00 C ATOM 127 C VAL A 9 -9.482 3.377 2.625 1.00 1.00 C ATOM 128 O VAL A 9 -10.606 3.429 2.131 1.00 1.00 O ATOM 129 CB VAL A 9 -8.187 2.501 0.669 1.00 1.00 C ATOM 130 CG1 VAL A 9 -7.765 3.949 0.361 1.00 1.00 C ATOM 131 CG2 VAL A 9 -7.059 1.549 0.275 1.00 1.00 C ATOM 0 H VAL A 9 -9.421 0.541 1.513 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.583 2.408 2.754 1.00 1.00 H new ATOM 0 HB VAL A 9 -9.089 2.283 0.097 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.553 4.048 -0.704 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -8.572 4.629 0.635 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -6.871 4.197 0.933 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -6.831 1.673 -0.784 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -6.171 1.773 0.866 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -7.369 0.521 0.461 1.00 1.00 H new ATOM 141 N MET A 10 -9.088 4.209 3.593 1.00 1.00 N ATOM 142 CA MET A 10 -9.984 5.235 4.113 1.00 1.00 C ATOM 143 C MET A 10 -10.122 6.406 3.144 1.00 1.00 C ATOM 144 O MET A 10 -11.189 6.613 2.565 1.00 1.00 O ATOM 145 CB MET A 10 -9.423 5.746 5.446 1.00 1.00 C ATOM 146 CG MET A 10 -9.044 4.559 6.344 1.00 1.00 C ATOM 147 SD MET A 10 -10.514 3.539 6.666 1.00 1.00 S ATOM 148 CE MET A 10 -10.259 3.251 8.436 1.00 1.00 C ATOM 0 H MET A 10 -8.165 4.190 4.026 1.00 1.00 H new ATOM 0 HA MET A 10 -10.972 4.795 4.249 1.00 1.00 H new ATOM 0 HB2 MET A 10 -8.548 6.371 5.266 1.00 1.00 H new ATOM 0 HB3 MET A 10 -10.163 6.370 5.947 1.00 1.00 H new ATOM 0 HG2 MET A 10 -8.272 3.959 5.863 1.00 1.00 H new ATOM 0 HG3 MET A 10 -8.627 4.920 7.284 1.00 1.00 H new ATOM 0 HE1 MET A 10 -11.070 2.635 8.825 1.00 1.00 H new ATOM 0 HE2 MET A 10 -9.309 2.739 8.588 1.00 1.00 H new ATOM 0 HE3 MET A 10 -10.245 4.206 8.962 1.00 1.00 H new ATOM 158 N SER A 11 -9.036 7.185 2.983 1.00 1.00 N ATOM 159 CA SER A 11 -9.050 8.363 2.091 1.00 1.00 C ATOM 160 C SER A 11 -7.881 8.325 1.118 1.00 1.00 C ATOM 161 O SER A 11 -6.931 7.564 1.297 1.00 1.00 O ATOM 162 CB SER A 11 -8.970 9.646 2.926 1.00 1.00 C ATOM 163 OG SER A 11 -7.699 9.721 3.558 1.00 1.00 O ATOM 0 H SER A 11 -8.145 7.024 3.453 1.00 1.00 H new ATOM 0 HA SER A 11 -9.979 8.346 1.521 1.00 1.00 H new ATOM 0 HB2 SER A 11 -9.123 10.517 2.289 1.00 1.00 H new ATOM 0 HB3 SER A 11 -9.762 9.655 3.675 1.00 1.00 H new ATOM 0 HG SER A 11 -7.646 10.542 4.091 1.00 1.00 H new ATOM 169 N VAL A 12 -7.963 9.165 0.078 1.00 1.00 N ATOM 170 CA VAL A 12 -6.918 9.254 -0.945 1.00 1.00 C ATOM 171 C VAL A 12 -6.428 10.688 -1.020 1.00 1.00 C ATOM 172 O VAL A 12 -7.210 11.610 -1.250 1.00 1.00 O ATOM 173 CB VAL A 12 -7.492 8.851 -2.305 1.00 1.00 C ATOM 174 CG1 VAL A 12 -6.375 8.798 -3.348 1.00 1.00 C ATOM 175 CG2 VAL A 12 -8.152 7.479 -2.200 1.00 1.00 C ATOM 0 H VAL A 12 -8.749 9.796 -0.076 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.096 8.587 -0.687 1.00 1.00 H new ATOM 0 HB VAL A 12 -8.234 9.590 -2.609 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -6.792 8.510 -4.313 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -5.909 9.780 -3.432 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -5.627 8.066 -3.043 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -8.559 7.196 -3.171 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -7.412 6.742 -1.888 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -8.957 7.518 -1.466 1.00 1.00 H new ATOM 185 N LEU A 13 -5.133 10.877 -0.809 1.00 1.00 N ATOM 186 CA LEU A 13 -4.553 12.215 -0.829 1.00 1.00 C ATOM 187 C LEU A 13 -4.135 12.608 -2.260 1.00 1.00 C ATOM 188 O LEU A 13 -3.841 11.738 -3.084 1.00 1.00 O ATOM 189 CB LEU A 13 -3.342 12.267 0.147 1.00 1.00 C ATOM 190 CG LEU A 13 -3.766 12.795 1.526 1.00 1.00 C ATOM 191 CD1 LEU A 13 -4.764 11.810 2.152 1.00 1.00 C ATOM 192 CD2 LEU A 13 -2.529 12.920 2.423 1.00 1.00 C ATOM 0 H LEU A 13 -4.467 10.127 -0.623 1.00 1.00 H new ATOM 0 HA LEU A 13 -5.300 12.937 -0.499 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.912 11.271 0.252 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -2.564 12.908 -0.268 1.00 1.00 H new ATOM 0 HG LEU A 13 -4.235 13.774 1.423 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -5.071 12.176 3.132 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -5.639 11.720 1.508 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -4.292 10.834 2.261 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.826 13.295 3.403 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -2.061 11.942 2.535 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.819 13.612 1.970 1.00 1.00 H new ATOM 204 N PRO A 14 -4.109 13.896 -2.562 1.00 1.00 N ATOM 205 CA PRO A 14 -3.719 14.399 -3.916 1.00 1.00 C ATOM 206 C PRO A 14 -2.226 14.221 -4.196 1.00 1.00 C ATOM 207 O PRO A 14 -1.401 14.211 -3.280 1.00 1.00 O ATOM 208 CB PRO A 14 -4.125 15.890 -3.870 1.00 1.00 C ATOM 209 CG PRO A 14 -4.011 16.264 -2.423 1.00 1.00 C ATOM 210 CD PRO A 14 -4.455 15.017 -1.651 1.00 1.00 C ATOM 0 HA PRO A 14 -4.205 13.850 -4.722 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -3.468 16.500 -4.491 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -5.140 16.037 -4.239 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -2.989 16.542 -2.167 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -4.643 17.120 -2.186 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -3.936 14.932 -0.696 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -5.523 15.040 -1.433 1.00 1.00 H new ATOM 218 N ASN A 15 -1.901 14.095 -5.478 1.00 1.00 N ATOM 219 CA ASN A 15 -0.517 13.937 -5.908 1.00 1.00 C ATOM 220 C ASN A 15 0.170 12.798 -5.170 1.00 1.00 C ATOM 221 O ASN A 15 1.298 12.958 -4.702 1.00 1.00 O ATOM 222 CB ASN A 15 0.253 15.230 -5.656 1.00 1.00 C ATOM 223 CG ASN A 15 1.653 15.126 -6.257 1.00 1.00 C ATOM 224 OD1 ASN A 15 2.024 14.077 -6.784 1.00 1.00 O ATOM 225 ND2 ASN A 15 2.457 16.154 -6.205 1.00 1.00 N ATOM 0 H ASN A 15 -2.580 14.099 -6.239 1.00 1.00 H new ATOM 0 HA ASN A 15 -0.525 13.704 -6.973 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -0.280 16.073 -6.097 1.00 1.00 H new ATOM 0 HB3 ASN A 15 0.321 15.420 -4.585 1.00 1.00 H new ATOM 0 HD21 ASN A 15 3.394 16.089 -6.602 1.00 1.00 H new ATOM 0 HD22 ASN A 15 2.147 17.022 -5.768 1.00 1.00 H new ATOM 232 N MET A 16 -0.513 11.655 -5.050 1.00 1.00 N ATOM 233 CA MET A 16 0.043 10.488 -4.342 1.00 1.00 C ATOM 234 C MET A 16 0.118 9.270 -5.277 1.00 1.00 C ATOM 235 O MET A 16 -0.633 9.188 -6.252 1.00 1.00 O ATOM 236 CB MET A 16 -0.843 10.187 -3.108 1.00 1.00 C ATOM 237 CG MET A 16 -0.485 11.149 -1.965 1.00 1.00 C ATOM 238 SD MET A 16 1.148 10.744 -1.294 1.00 1.00 S ATOM 239 CE MET A 16 1.057 11.790 0.176 1.00 1.00 C ATOM 0 H MET A 16 -1.448 11.509 -5.431 1.00 1.00 H new ATOM 0 HA MET A 16 1.059 10.708 -4.013 1.00 1.00 H new ATOM 0 HB2 MET A 16 -1.896 10.294 -3.370 1.00 1.00 H new ATOM 0 HB3 MET A 16 -0.697 9.156 -2.787 1.00 1.00 H new ATOM 0 HG2 MET A 16 -0.492 12.176 -2.329 1.00 1.00 H new ATOM 0 HG3 MET A 16 -1.236 11.085 -1.177 1.00 1.00 H new ATOM 0 HE1 MET A 16 1.979 11.693 0.749 1.00 1.00 H new ATOM 0 HE2 MET A 16 0.924 12.829 -0.125 1.00 1.00 H new ATOM 0 HE3 MET A 16 0.213 11.480 0.792 1.00 1.00 H new ATOM 249 N PRO A 17 1.021 8.341 -5.015 1.00 1.00 N ATOM 250 CA PRO A 17 1.194 7.128 -5.874 1.00 1.00 C ATOM 251 C PRO A 17 -0.057 6.243 -5.914 1.00 1.00 C ATOM 252 O PRO A 17 -0.206 5.422 -6.817 1.00 1.00 O ATOM 253 CB PRO A 17 2.414 6.394 -5.243 1.00 1.00 C ATOM 254 CG PRO A 17 2.510 6.920 -3.835 1.00 1.00 C ATOM 255 CD PRO A 17 1.984 8.352 -3.894 1.00 1.00 C ATOM 0 HA PRO A 17 1.357 7.389 -6.920 1.00 1.00 H new ATOM 0 HB2 PRO A 17 2.270 5.314 -5.250 1.00 1.00 H new ATOM 0 HB3 PRO A 17 3.327 6.597 -5.802 1.00 1.00 H new ATOM 0 HG2 PRO A 17 1.919 6.313 -3.149 1.00 1.00 H new ATOM 0 HG3 PRO A 17 3.539 6.895 -3.477 1.00 1.00 H new ATOM 0 HD2 PRO A 17 1.503 8.638 -2.959 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.790 9.065 -4.069 1.00 1.00 H new ATOM 263 N ALA A 18 -0.948 6.397 -4.941 1.00 1.00 N ATOM 264 CA ALA A 18 -2.168 5.584 -4.887 1.00 1.00 C ATOM 265 C ALA A 18 -3.316 6.244 -5.655 1.00 1.00 C ATOM 266 O ALA A 18 -4.248 5.575 -6.091 1.00 1.00 O ATOM 267 CB ALA A 18 -2.563 5.406 -3.421 1.00 1.00 C ATOM 0 H ALA A 18 -0.854 7.071 -4.181 1.00 1.00 H new ATOM 0 HA ALA A 18 -1.972 4.619 -5.354 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -3.469 4.803 -3.359 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.757 4.905 -2.885 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -2.745 6.382 -2.972 1.00 1.00 H new ATOM 273 N ALA A 19 -3.242 7.559 -5.804 1.00 1.00 N ATOM 274 CA ALA A 19 -4.289 8.298 -6.516 1.00 1.00 C ATOM 275 C ALA A 19 -4.245 7.988 -8.009 1.00 1.00 C ATOM 276 O ALA A 19 -3.172 7.853 -8.594 1.00 1.00 O ATOM 277 CB ALA A 19 -4.136 9.804 -6.303 1.00 1.00 C ATOM 0 H ALA A 19 -2.480 8.136 -5.448 1.00 1.00 H new ATOM 0 HA ALA A 19 -5.251 7.981 -6.113 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -4.925 10.330 -6.841 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -4.210 10.030 -5.239 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -3.164 10.127 -6.676 1.00 1.00 H new ATOM 283 N GLY A 20 -5.425 7.875 -8.618 1.00 1.00 N ATOM 284 CA GLY A 20 -5.537 7.581 -10.053 1.00 1.00 C ATOM 285 C GLY A 20 -5.525 6.076 -10.306 1.00 1.00 C ATOM 286 O GLY A 20 -6.011 5.608 -11.336 1.00 1.00 O ATOM 0 H GLY A 20 -6.321 7.982 -8.142 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.458 8.012 -10.445 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -4.712 8.050 -10.589 1.00 1.00 H new ATOM 290 N ARG A 21 -4.965 5.321 -9.355 1.00 1.00 N ATOM 291 CA ARG A 21 -4.882 3.856 -9.463 1.00 1.00 C ATOM 292 C ARG A 21 -5.675 3.213 -8.340 1.00 1.00 C ATOM 293 O ARG A 21 -6.270 2.150 -8.525 1.00 1.00 O ATOM 294 CB ARG A 21 -3.417 3.413 -9.374 1.00 1.00 C ATOM 295 CG ARG A 21 -2.673 3.865 -10.628 1.00 1.00 C ATOM 296 CD ARG A 21 -1.192 3.525 -10.486 1.00 1.00 C ATOM 297 NE ARG A 21 -0.456 3.957 -11.678 1.00 1.00 N ATOM 298 CZ ARG A 21 0.863 4.163 -11.644 1.00 1.00 C ATOM 299 NH1 ARG A 21 1.515 4.007 -10.523 1.00 1.00 N ATOM 300 NH2 ARG A 21 1.500 4.530 -12.727 1.00 1.00 N ATOM 0 H ARG A 21 -4.561 5.699 -8.498 1.00 1.00 H new ATOM 0 HA ARG A 21 -5.296 3.545 -10.422 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -2.950 3.840 -8.487 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -3.359 2.329 -9.274 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -3.088 3.374 -11.508 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -2.799 4.938 -10.773 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -0.783 4.012 -9.601 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.070 2.451 -10.344 1.00 1.00 H new ATOM 0 HE ARG A 21 -0.962 4.103 -12.552 1.00 1.00 H new ATOM 0 HH11 ARG A 21 1.017 3.729 -9.678 1.00 1.00 H new ATOM 0 HH12 ARG A 21 2.522 4.163 -10.493 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.989 4.659 -13.600 1.00 1.00 H new ATOM 0 HH22 ARG A 21 2.507 4.687 -12.698 1.00 1.00 H new ATOM 314 N LEU A 22 -5.683 3.866 -7.171 1.00 1.00 N ATOM 315 CA LEU A 22 -6.412 3.362 -6.001 1.00 1.00 C ATOM 316 C LEU A 22 -7.483 4.361 -5.587 1.00 1.00 C ATOM 317 O LEU A 22 -7.258 5.576 -5.613 1.00 1.00 O ATOM 318 CB LEU A 22 -5.420 3.103 -4.829 1.00 1.00 C ATOM 319 CG LEU A 22 -5.673 1.725 -4.186 1.00 1.00 C ATOM 320 CD1 LEU A 22 -7.115 1.663 -3.618 1.00 1.00 C ATOM 321 CD2 LEU A 22 -5.428 0.585 -5.226 1.00 1.00 C ATOM 0 H LEU A 22 -5.192 4.746 -7.011 1.00 1.00 H new ATOM 0 HA LEU A 22 -6.898 2.421 -6.258 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -4.395 3.154 -5.197 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -5.528 3.885 -4.077 1.00 1.00 H new ATOM 0 HG LEU A 22 -4.973 1.582 -3.362 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -7.286 0.686 -3.165 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -7.243 2.440 -2.864 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -7.831 1.819 -4.425 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -5.611 -0.381 -4.756 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -6.105 0.712 -6.071 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -4.397 0.628 -5.577 1.00 1.00 H new ATOM 333 N GLU A 23 -8.656 3.839 -5.208 1.00 1.00 N ATOM 334 CA GLU A 23 -9.779 4.677 -4.795 1.00 1.00 C ATOM 335 C GLU A 23 -10.356 4.200 -3.468 1.00 1.00 C ATOM 336 O GLU A 23 -10.279 3.021 -3.119 1.00 1.00 O ATOM 337 CB GLU A 23 -10.861 4.633 -5.880 1.00 1.00 C ATOM 338 CG GLU A 23 -10.368 5.382 -7.130 1.00 1.00 C ATOM 339 CD GLU A 23 -11.408 5.299 -8.247 1.00 1.00 C ATOM 340 OE1 GLU A 23 -12.440 4.686 -8.029 1.00 1.00 O ATOM 341 OE2 GLU A 23 -11.156 5.853 -9.305 1.00 1.00 O ATOM 0 H GLU A 23 -8.848 2.838 -5.180 1.00 1.00 H new ATOM 0 HA GLU A 23 -9.426 5.700 -4.661 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -11.096 3.599 -6.132 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -11.780 5.087 -5.510 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -10.173 6.426 -6.883 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -9.425 4.954 -7.470 1.00 1.00 H new ATOM 348 N ALA A 24 -10.943 5.144 -2.746 1.00 1.00 N ATOM 349 CA ALA A 24 -11.551 4.851 -1.460 1.00 1.00 C ATOM 350 C ALA A 24 -12.620 3.787 -1.640 1.00 1.00 C ATOM 351 O ALA A 24 -13.355 3.793 -2.627 1.00 1.00 O ATOM 352 CB ALA A 24 -12.186 6.119 -0.877 1.00 1.00 C ATOM 0 H ALA A 24 -11.010 6.121 -3.032 1.00 1.00 H new ATOM 0 HA ALA A 24 -10.783 4.491 -0.775 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -12.639 5.889 0.087 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -11.419 6.882 -0.744 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -12.952 6.489 -1.559 1.00 1.00 H new ATOM 358 N GLY A 25 -12.693 2.853 -0.693 1.00 1.00 N ATOM 359 CA GLY A 25 -13.664 1.756 -0.750 1.00 1.00 C ATOM 360 C GLY A 25 -12.971 0.460 -1.154 1.00 1.00 C ATOM 361 O GLY A 25 -13.397 -0.628 -0.767 1.00 1.00 O ATOM 0 H GLY A 25 -12.088 2.833 0.128 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -14.143 1.633 0.222 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.451 1.994 -1.465 1.00 1.00 H new ATOM 365 N ASP A 26 -11.890 0.580 -1.925 1.00 1.00 N ATOM 366 CA ASP A 26 -11.145 -0.604 -2.357 1.00 1.00 C ATOM 367 C ASP A 26 -10.402 -1.221 -1.177 1.00 1.00 C ATOM 368 O ASP A 26 -9.963 -0.506 -0.277 1.00 1.00 O ATOM 369 CB ASP A 26 -10.141 -0.217 -3.432 1.00 1.00 C ATOM 370 CG ASP A 26 -10.883 0.278 -4.669 1.00 1.00 C ATOM 371 OD1 ASP A 26 -11.979 -0.206 -4.904 1.00 1.00 O ATOM 372 OD2 ASP A 26 -10.355 1.137 -5.352 1.00 1.00 O ATOM 0 H ASP A 26 -11.515 1.468 -2.259 1.00 1.00 H new ATOM 0 HA ASP A 26 -11.851 -1.332 -2.757 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.475 0.561 -3.059 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.518 -1.074 -3.688 1.00 1.00 H new ATOM 377 N ARG A 27 -10.266 -2.556 -1.190 1.00 1.00 N ATOM 378 CA ARG A 27 -9.576 -3.286 -0.119 1.00 1.00 C ATOM 379 C ARG A 27 -8.310 -3.941 -0.655 1.00 1.00 C ATOM 380 O ARG A 27 -8.172 -4.157 -1.855 1.00 1.00 O ATOM 381 CB ARG A 27 -10.519 -4.353 0.480 1.00 1.00 C ATOM 382 CG ARG A 27 -10.729 -5.533 -0.489 1.00 1.00 C ATOM 383 CD ARG A 27 -11.786 -6.486 0.082 1.00 1.00 C ATOM 384 NE ARG A 27 -13.105 -5.883 -0.035 1.00 1.00 N ATOM 385 CZ ARG A 27 -14.194 -6.523 0.379 1.00 1.00 C ATOM 386 NH1 ARG A 27 -14.086 -7.723 0.893 1.00 1.00 N ATOM 387 NH2 ARG A 27 -15.367 -5.957 0.267 1.00 1.00 N ATOM 0 H ARG A 27 -10.627 -3.153 -1.934 1.00 1.00 H new ATOM 0 HA ARG A 27 -9.295 -2.582 0.664 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -10.103 -4.721 1.418 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -11.481 -3.898 0.715 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -11.047 -5.164 -1.464 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -9.789 -6.064 -0.640 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -11.761 -7.435 -0.453 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -11.567 -6.704 1.127 1.00 1.00 H new ATOM 0 HE ARG A 27 -13.196 -4.952 -0.442 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -13.169 -8.162 0.974 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -14.919 -8.218 1.212 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -15.447 -5.024 -0.138 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -16.203 -6.448 0.585 1.00 1.00 H new ATOM 401 N ILE A 28 -7.396 -4.264 0.258 1.00 1.00 N ATOM 402 CA ILE A 28 -6.130 -4.908 -0.114 1.00 1.00 C ATOM 403 C ILE A 28 -6.223 -6.419 0.085 1.00 1.00 C ATOM 404 O ILE A 28 -6.437 -6.901 1.198 1.00 1.00 O ATOM 405 CB ILE A 28 -4.968 -4.344 0.723 1.00 1.00 C ATOM 406 CG1 ILE A 28 -5.083 -2.809 0.793 1.00 1.00 C ATOM 407 CG2 ILE A 28 -3.626 -4.740 0.089 1.00 1.00 C ATOM 408 CD1 ILE A 28 -5.205 -2.188 -0.612 1.00 1.00 C ATOM 0 H ILE A 28 -7.504 -4.093 1.258 1.00 1.00 H new ATOM 0 HA ILE A 28 -5.939 -4.699 -1.167 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.017 -4.756 1.731 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -5.953 -2.535 1.390 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.208 -2.400 1.298 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -2.808 -4.337 0.687 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.548 -5.827 0.052 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.569 -4.337 -0.922 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.284 -1.104 -0.525 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.323 -2.441 -1.200 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -6.095 -2.578 -1.106 1.00 1.00 H new ATOM 420 N ALA A 29 -6.060 -7.160 -1.011 1.00 1.00 N ATOM 421 CA ALA A 29 -6.122 -8.626 -0.973 1.00 1.00 C ATOM 422 C ALA A 29 -4.730 -9.222 -0.795 1.00 1.00 C ATOM 423 O ALA A 29 -4.592 -10.390 -0.441 1.00 1.00 O ATOM 424 CB ALA A 29 -6.729 -9.150 -2.273 1.00 1.00 C ATOM 0 H ALA A 29 -5.884 -6.772 -1.938 1.00 1.00 H new ATOM 0 HA ALA A 29 -6.743 -8.921 -0.127 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -6.773 -10.239 -2.241 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -7.736 -8.749 -2.392 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -6.112 -8.837 -3.115 1.00 1.00 H new ATOM 430 N ALA A 30 -3.706 -8.406 -1.032 1.00 1.00 N ATOM 431 CA ALA A 30 -2.323 -8.871 -0.883 1.00 1.00 C ATOM 432 C ALA A 30 -1.332 -7.766 -1.234 1.00 1.00 C ATOM 433 O ALA A 30 -1.680 -6.783 -1.889 1.00 1.00 O ATOM 434 CB ALA A 30 -2.069 -10.104 -1.774 1.00 1.00 C ATOM 0 H ALA A 30 -3.801 -7.433 -1.324 1.00 1.00 H new ATOM 0 HA ALA A 30 -2.176 -9.149 0.161 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -1.038 -10.436 -1.651 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -2.746 -10.908 -1.484 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -2.243 -9.841 -2.817 1.00 1.00 H new ATOM 440 N ILE A 31 -0.073 -7.963 -0.809 1.00 1.00 N ATOM 441 CA ILE A 31 1.009 -7.007 -1.092 1.00 1.00 C ATOM 442 C ILE A 31 2.299 -7.745 -1.475 1.00 1.00 C ATOM 443 O ILE A 31 2.767 -8.632 -0.776 1.00 1.00 O ATOM 444 CB ILE A 31 1.267 -6.077 0.118 1.00 1.00 C ATOM 445 CG1 ILE A 31 0.009 -5.216 0.373 1.00 1.00 C ATOM 446 CG2 ILE A 31 2.483 -5.162 -0.169 1.00 1.00 C ATOM 447 CD1 ILE A 31 0.160 -4.436 1.676 1.00 1.00 C ATOM 0 H ILE A 31 0.220 -8.776 -0.268 1.00 1.00 H new ATOM 0 HA ILE A 31 0.693 -6.391 -1.934 1.00 1.00 H new ATOM 0 HB ILE A 31 1.482 -6.679 1.001 1.00 1.00 H new ATOM 0 HG12 ILE A 31 -0.143 -4.526 -0.457 1.00 1.00 H new ATOM 0 HG13 ILE A 31 -0.873 -5.854 0.423 1.00 1.00 H new ATOM 0 HG21 ILE A 31 2.658 -4.510 0.687 1.00 1.00 H new ATOM 0 HG22 ILE A 31 3.367 -5.776 -0.345 1.00 1.00 H new ATOM 0 HG23 ILE A 31 2.281 -4.555 -1.052 1.00 1.00 H new ATOM 0 HD11 ILE A 31 -0.732 -3.833 1.845 1.00 1.00 H new ATOM 0 HD12 ILE A 31 0.289 -5.133 2.504 1.00 1.00 H new ATOM 0 HD13 ILE A 31 1.031 -3.784 1.611 1.00 1.00 H new ATOM 459 N ASP A 32 2.884 -7.347 -2.586 1.00 1.00 N ATOM 460 CA ASP A 32 4.131 -7.964 -3.033 1.00 1.00 C ATOM 461 C ASP A 32 4.014 -9.496 -3.054 1.00 1.00 C ATOM 462 O ASP A 32 5.019 -10.201 -3.149 1.00 1.00 O ATOM 463 CB ASP A 32 5.274 -7.549 -2.091 1.00 1.00 C ATOM 464 CG ASP A 32 6.623 -7.944 -2.683 1.00 1.00 C ATOM 465 OD1 ASP A 32 7.008 -7.349 -3.676 1.00 1.00 O ATOM 466 OD2 ASP A 32 7.253 -8.834 -2.133 1.00 1.00 O ATOM 0 H ASP A 32 2.528 -6.610 -3.194 1.00 1.00 H new ATOM 0 HA ASP A 32 4.340 -7.622 -4.047 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.244 -6.472 -1.925 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.143 -8.025 -1.119 1.00 1.00 H new ATOM 471 N GLY A 33 2.772 -10.000 -2.989 1.00 1.00 N ATOM 472 CA GLY A 33 2.506 -11.448 -3.023 1.00 1.00 C ATOM 473 C GLY A 33 2.140 -12.000 -1.649 1.00 1.00 C ATOM 474 O GLY A 33 1.791 -13.172 -1.524 1.00 1.00 O ATOM 0 H GLY A 33 1.933 -9.425 -2.912 1.00 1.00 H new ATOM 0 HA2 GLY A 33 1.694 -11.650 -3.722 1.00 1.00 H new ATOM 0 HA3 GLY A 33 3.387 -11.969 -3.399 1.00 1.00 H new ATOM 478 N GLN A 34 2.225 -11.164 -0.615 1.00 1.00 N ATOM 479 CA GLN A 34 1.908 -11.607 0.748 1.00 1.00 C ATOM 480 C GLN A 34 0.427 -11.288 1.101 1.00 1.00 C ATOM 481 O GLN A 34 -0.040 -10.181 0.840 1.00 1.00 O ATOM 482 CB GLN A 34 2.884 -10.932 1.754 1.00 1.00 C ATOM 483 CG GLN A 34 2.406 -9.520 2.161 1.00 1.00 C ATOM 484 CD GLN A 34 3.557 -8.692 2.714 1.00 1.00 C ATOM 485 OE1 GLN A 34 4.520 -8.399 2.004 1.00 1.00 O ATOM 486 NE2 GLN A 34 3.503 -8.297 3.952 1.00 1.00 N ATOM 0 H GLN A 34 2.507 -10.187 -0.690 1.00 1.00 H new ATOM 0 HA GLN A 34 2.033 -12.688 0.811 1.00 1.00 H new ATOM 0 HB2 GLN A 34 2.976 -11.555 2.644 1.00 1.00 H new ATOM 0 HB3 GLN A 34 3.876 -10.865 1.308 1.00 1.00 H new ATOM 0 HG2 GLN A 34 1.973 -9.016 1.297 1.00 1.00 H new ATOM 0 HG3 GLN A 34 1.619 -9.601 2.910 1.00 1.00 H new ATOM 0 HE21 GLN A 34 2.701 -8.545 4.532 1.00 1.00 H new ATOM 0 HE22 GLN A 34 4.262 -7.739 4.343 1.00 1.00 H new ATOM 495 N PRO A 35 -0.322 -12.207 1.688 1.00 1.00 N ATOM 496 CA PRO A 35 -1.743 -11.938 2.077 1.00 1.00 C ATOM 497 C PRO A 35 -1.838 -11.112 3.371 1.00 1.00 C ATOM 498 O PRO A 35 -1.123 -11.368 4.343 1.00 1.00 O ATOM 499 CB PRO A 35 -2.326 -13.348 2.257 1.00 1.00 C ATOM 500 CG PRO A 35 -1.162 -14.176 2.723 1.00 1.00 C ATOM 501 CD PRO A 35 0.078 -13.589 2.026 1.00 1.00 C ATOM 0 HA PRO A 35 -2.280 -11.345 1.337 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -3.135 -13.353 2.987 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -2.737 -13.730 1.323 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -1.059 -14.130 3.807 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -1.298 -15.225 2.460 1.00 1.00 H new ATOM 0 HD2 PRO A 35 0.949 -13.603 2.682 1.00 1.00 H new ATOM 0 HD3 PRO A 35 0.341 -14.158 1.134 1.00 1.00 H new ATOM 509 N ILE A 36 -2.712 -10.098 3.349 1.00 1.00 N ATOM 510 CA ILE A 36 -2.903 -9.201 4.499 1.00 1.00 C ATOM 511 C ILE A 36 -4.179 -9.541 5.263 1.00 1.00 C ATOM 512 O ILE A 36 -5.292 -9.429 4.745 1.00 1.00 O ATOM 513 CB ILE A 36 -2.976 -7.738 4.027 1.00 1.00 C ATOM 514 CG1 ILE A 36 -1.790 -7.419 3.091 1.00 1.00 C ATOM 515 CG2 ILE A 36 -2.942 -6.799 5.240 1.00 1.00 C ATOM 516 CD1 ILE A 36 -0.454 -7.831 3.725 1.00 1.00 C ATOM 0 H ILE A 36 -3.300 -9.877 2.546 1.00 1.00 H new ATOM 0 HA ILE A 36 -2.050 -9.334 5.164 1.00 1.00 H new ATOM 0 HB ILE A 36 -3.908 -7.591 3.481 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -1.921 -7.941 2.143 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -1.776 -6.352 2.869 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -2.994 -5.764 4.901 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -3.792 -7.011 5.888 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -2.016 -6.953 5.794 1.00 1.00 H new ATOM 0 HD11 ILE A 36 0.361 -7.594 3.042 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.313 -7.290 4.660 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -0.461 -8.903 3.923 1.00 1.00 H new ATOM 528 N ASN A 37 -3.979 -9.954 6.510 1.00 1.00 N ATOM 529 CA ASN A 37 -5.076 -10.323 7.417 1.00 1.00 C ATOM 530 C ASN A 37 -5.227 -9.313 8.553 1.00 1.00 C ATOM 531 O ASN A 37 -6.317 -9.155 9.101 1.00 1.00 O ATOM 532 CB ASN A 37 -4.826 -11.711 8.021 1.00 1.00 C ATOM 533 CG ASN A 37 -6.044 -12.142 8.835 1.00 1.00 C ATOM 534 OD1 ASN A 37 -5.986 -12.197 10.065 1.00 1.00 O ATOM 535 ND2 ASN A 37 -7.155 -12.445 8.216 1.00 1.00 N ATOM 0 H ASN A 37 -3.053 -10.045 6.927 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.993 -10.331 6.828 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -4.631 -12.434 7.229 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -3.941 -11.688 8.657 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -7.976 -12.728 8.751 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -7.201 -12.399 7.198 1.00 1.00 H new ATOM 542 N THR A 38 -4.131 -8.631 8.913 1.00 1.00 N ATOM 543 CA THR A 38 -4.158 -7.634 10.001 1.00 1.00 C ATOM 544 C THR A 38 -3.377 -6.387 9.614 1.00 1.00 C ATOM 545 O THR A 38 -2.589 -6.397 8.670 1.00 1.00 O ATOM 546 CB THR A 38 -3.540 -8.218 11.290 1.00 1.00 C ATOM 547 OG1 THR A 38 -2.125 -8.081 11.246 1.00 1.00 O ATOM 548 CG2 THR A 38 -3.897 -9.698 11.417 1.00 1.00 C ATOM 0 H THR A 38 -3.219 -8.748 8.472 1.00 1.00 H new ATOM 0 HA THR A 38 -5.201 -7.372 10.177 1.00 1.00 H new ATOM 0 HB THR A 38 -3.936 -7.676 12.149 1.00 1.00 H new ATOM 0 HG1 THR A 38 -1.716 -8.709 11.877 1.00 1.00 H new ATOM 0 HG21 THR A 38 -3.457 -10.101 12.329 1.00 1.00 H new ATOM 0 HG22 THR A 38 -4.981 -9.809 11.457 1.00 1.00 H new ATOM 0 HG23 THR A 38 -3.509 -10.241 10.556 1.00 1.00 H new ATOM 556 N SER A 39 -3.583 -5.321 10.376 1.00 1.00 N ATOM 557 CA SER A 39 -2.874 -4.077 10.134 1.00 1.00 C ATOM 558 C SER A 39 -1.388 -4.278 10.417 1.00 1.00 C ATOM 559 O SER A 39 -0.537 -3.670 9.773 1.00 1.00 O ATOM 560 CB SER A 39 -3.427 -2.977 11.038 1.00 1.00 C ATOM 561 OG SER A 39 -3.282 -3.369 12.394 1.00 1.00 O ATOM 0 H SER A 39 -4.232 -5.295 11.162 1.00 1.00 H new ATOM 0 HA SER A 39 -3.010 -3.781 9.094 1.00 1.00 H new ATOM 0 HB2 SER A 39 -2.896 -2.042 10.859 1.00 1.00 H new ATOM 0 HB3 SER A 39 -4.477 -2.796 10.810 1.00 1.00 H new ATOM 0 HG SER A 39 -3.634 -2.665 12.978 1.00 1.00 H new ATOM 567 N GLU A 40 -1.085 -5.127 11.396 1.00 1.00 N ATOM 568 CA GLU A 40 0.302 -5.393 11.763 1.00 1.00 C ATOM 569 C GLU A 40 1.055 -5.994 10.588 1.00 1.00 C ATOM 570 O GLU A 40 2.216 -5.676 10.352 1.00 1.00 O ATOM 571 CB GLU A 40 0.340 -6.369 12.939 1.00 1.00 C ATOM 572 CG GLU A 40 -0.379 -5.757 14.145 1.00 1.00 C ATOM 573 CD GLU A 40 0.394 -4.554 14.677 1.00 1.00 C ATOM 574 OE1 GLU A 40 1.560 -4.716 14.993 1.00 1.00 O ATOM 575 OE2 GLU A 40 -0.197 -3.490 14.768 1.00 1.00 O ATOM 0 H GLU A 40 -1.776 -5.639 11.945 1.00 1.00 H new ATOM 0 HA GLU A 40 0.777 -4.453 12.045 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -0.136 -7.309 12.659 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.373 -6.600 13.199 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -1.385 -5.452 13.859 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -0.484 -6.505 14.931 1.00 1.00 H new ATOM 582 N GLN A 41 0.394 -6.870 9.848 1.00 1.00 N ATOM 583 CA GLN A 41 1.035 -7.502 8.701 1.00 1.00 C ATOM 584 C GLN A 41 1.650 -6.437 7.799 1.00 1.00 C ATOM 585 O GLN A 41 2.743 -6.627 7.269 1.00 1.00 O ATOM 586 CB GLN A 41 0.017 -8.348 7.925 1.00 1.00 C ATOM 587 CG GLN A 41 -0.377 -9.579 8.757 1.00 1.00 C ATOM 588 CD GLN A 41 0.795 -10.554 8.845 1.00 1.00 C ATOM 589 OE1 GLN A 41 1.333 -10.970 7.818 1.00 1.00 O ATOM 590 NE2 GLN A 41 1.233 -10.935 10.014 1.00 1.00 N ATOM 0 H GLN A 41 -0.570 -7.158 10.015 1.00 1.00 H new ATOM 0 HA GLN A 41 1.829 -8.160 9.053 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -0.867 -7.752 7.698 1.00 1.00 H new ATOM 0 HB3 GLN A 41 0.443 -8.662 6.972 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -0.678 -9.269 9.758 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -1.237 -10.073 8.304 1.00 1.00 H new ATOM 0 HE21 GLN A 41 0.786 -10.589 10.863 1.00 1.00 H new ATOM 0 HE22 GLN A 41 2.022 -11.578 10.078 1.00 1.00 H new ATOM 599 N ILE A 42 0.960 -5.311 7.628 1.00 1.00 N ATOM 600 CA ILE A 42 1.478 -4.224 6.804 1.00 1.00 C ATOM 601 C ILE A 42 2.769 -3.668 7.383 1.00 1.00 C ATOM 602 O ILE A 42 3.656 -3.261 6.639 1.00 1.00 O ATOM 603 CB ILE A 42 0.436 -3.094 6.736 1.00 1.00 C ATOM 604 CG1 ILE A 42 -0.888 -3.635 6.153 1.00 1.00 C ATOM 605 CG2 ILE A 42 0.937 -1.906 5.893 1.00 1.00 C ATOM 606 CD1 ILE A 42 -0.707 -4.165 4.716 1.00 1.00 C ATOM 0 H ILE A 42 0.048 -5.129 8.046 1.00 1.00 H new ATOM 0 HA ILE A 42 1.680 -4.617 5.808 1.00 1.00 H new ATOM 0 HB ILE A 42 0.269 -2.733 7.751 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -1.266 -4.434 6.790 1.00 1.00 H new ATOM 0 HG13 ILE A 42 -1.637 -2.843 6.157 1.00 1.00 H new ATOM 0 HG21 ILE A 42 0.173 -1.129 5.869 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.849 -1.505 6.335 1.00 1.00 H new ATOM 0 HG23 ILE A 42 1.144 -2.242 4.877 1.00 1.00 H new ATOM 0 HD11 ILE A 42 -1.661 -4.536 4.342 1.00 1.00 H new ATOM 0 HD12 ILE A 42 -0.354 -3.359 4.073 1.00 1.00 H new ATOM 0 HD13 ILE A 42 0.023 -4.975 4.716 1.00 1.00 H new ATOM 618 N VAL A 43 2.882 -3.640 8.706 1.00 1.00 N ATOM 619 CA VAL A 43 4.079 -3.114 9.338 1.00 1.00 C ATOM 620 C VAL A 43 5.295 -3.946 8.964 1.00 1.00 C ATOM 621 O VAL A 43 6.350 -3.392 8.660 1.00 1.00 O ATOM 622 CB VAL A 43 3.902 -3.128 10.853 1.00 1.00 C ATOM 623 CG1 VAL A 43 5.131 -2.521 11.539 1.00 1.00 C ATOM 624 CG2 VAL A 43 2.644 -2.337 11.232 1.00 1.00 C ATOM 0 H VAL A 43 2.167 -3.972 9.353 1.00 1.00 H new ATOM 0 HA VAL A 43 4.235 -2.093 8.991 1.00 1.00 H new ATOM 0 HB VAL A 43 3.793 -4.160 11.187 1.00 1.00 H new ATOM 0 HG11 VAL A 43 4.990 -2.538 12.620 1.00 1.00 H new ATOM 0 HG12 VAL A 43 6.016 -3.101 11.279 1.00 1.00 H new ATOM 0 HG13 VAL A 43 5.262 -1.491 11.206 1.00 1.00 H new ATOM 0 HG21 VAL A 43 2.520 -2.348 12.315 1.00 1.00 H new ATOM 0 HG22 VAL A 43 2.745 -1.307 10.889 1.00 1.00 H new ATOM 0 HG23 VAL A 43 1.772 -2.792 10.762 1.00 1.00 H new ATOM 634 N SER A 44 5.173 -5.273 8.996 1.00 1.00 N ATOM 635 CA SER A 44 6.305 -6.125 8.659 1.00 1.00 C ATOM 636 C SER A 44 6.794 -5.829 7.256 1.00 1.00 C ATOM 637 O SER A 44 7.995 -5.758 6.994 1.00 1.00 O ATOM 638 CB SER A 44 5.866 -7.583 8.746 1.00 1.00 C ATOM 639 OG SER A 44 4.754 -7.801 7.883 1.00 1.00 O ATOM 0 H SER A 44 4.319 -5.770 9.247 1.00 1.00 H new ATOM 0 HA SER A 44 7.119 -5.933 9.358 1.00 1.00 H new ATOM 0 HB2 SER A 44 6.690 -8.239 8.466 1.00 1.00 H new ATOM 0 HB3 SER A 44 5.596 -7.831 9.773 1.00 1.00 H new ATOM 0 HG SER A 44 3.997 -7.254 8.180 1.00 1.00 H new ATOM 645 N TYR A 45 5.854 -5.681 6.346 1.00 1.00 N ATOM 646 CA TYR A 45 6.218 -5.411 4.964 1.00 1.00 C ATOM 647 C TYR A 45 7.051 -4.123 4.904 1.00 1.00 C ATOM 648 O TYR A 45 8.166 -4.118 4.379 1.00 1.00 O ATOM 649 CB TYR A 45 4.918 -5.328 4.084 1.00 1.00 C ATOM 650 CG TYR A 45 4.861 -4.032 3.266 1.00 1.00 C ATOM 651 CD1 TYR A 45 5.850 -3.763 2.309 1.00 1.00 C ATOM 652 CD2 TYR A 45 3.847 -3.096 3.496 1.00 1.00 C ATOM 653 CE1 TYR A 45 5.819 -2.565 1.592 1.00 1.00 C ATOM 654 CE2 TYR A 45 3.819 -1.901 2.778 1.00 1.00 C ATOM 655 CZ TYR A 45 4.806 -1.633 1.827 1.00 1.00 C ATOM 656 OH TYR A 45 4.781 -0.455 1.113 1.00 1.00 O ATOM 0 H TYR A 45 4.852 -5.741 6.528 1.00 1.00 H new ATOM 0 HA TYR A 45 6.830 -6.219 4.562 1.00 1.00 H new ATOM 0 HB2 TYR A 45 4.881 -6.184 3.410 1.00 1.00 H new ATOM 0 HB3 TYR A 45 4.040 -5.390 4.727 1.00 1.00 H new ATOM 0 HD1 TYR A 45 6.635 -4.482 2.127 1.00 1.00 H new ATOM 0 HD2 TYR A 45 3.083 -3.300 4.232 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.580 -2.359 0.854 1.00 1.00 H new ATOM 0 HE2 TYR A 45 3.033 -1.182 2.957 1.00 1.00 H new ATOM 0 HH TYR A 45 4.130 -0.528 0.384 1.00 1.00 H new ATOM 666 N VAL A 46 6.488 -3.021 5.397 1.00 1.00 N ATOM 667 CA VAL A 46 7.178 -1.740 5.338 1.00 1.00 C ATOM 668 C VAL A 46 8.578 -1.865 5.932 1.00 1.00 C ATOM 669 O VAL A 46 9.540 -1.303 5.409 1.00 1.00 O ATOM 670 CB VAL A 46 6.359 -0.671 6.089 1.00 1.00 C ATOM 671 CG1 VAL A 46 7.125 0.654 6.110 1.00 1.00 C ATOM 672 CG2 VAL A 46 5.010 -0.456 5.383 1.00 1.00 C ATOM 0 H VAL A 46 5.568 -2.991 5.836 1.00 1.00 H new ATOM 0 HA VAL A 46 7.277 -1.435 4.296 1.00 1.00 H new ATOM 0 HB VAL A 46 6.190 -1.013 7.110 1.00 1.00 H new ATOM 0 HG11 VAL A 46 6.540 1.404 6.642 1.00 1.00 H new ATOM 0 HG12 VAL A 46 8.081 0.514 6.615 1.00 1.00 H new ATOM 0 HG13 VAL A 46 7.301 0.989 5.088 1.00 1.00 H new ATOM 0 HG21 VAL A 46 4.436 0.300 5.918 1.00 1.00 H new ATOM 0 HG22 VAL A 46 5.184 -0.123 4.360 1.00 1.00 H new ATOM 0 HG23 VAL A 46 4.453 -1.393 5.370 1.00 1.00 H new ATOM 682 N ARG A 47 8.680 -2.607 7.018 1.00 1.00 N ATOM 683 CA ARG A 47 9.956 -2.804 7.681 1.00 1.00 C ATOM 684 C ARG A 47 10.954 -3.474 6.730 1.00 1.00 C ATOM 685 O ARG A 47 12.140 -3.151 6.742 1.00 1.00 O ATOM 686 CB ARG A 47 9.754 -3.670 8.938 1.00 1.00 C ATOM 687 CG ARG A 47 8.947 -2.895 10.033 1.00 1.00 C ATOM 688 CD ARG A 47 9.897 -2.197 11.023 1.00 1.00 C ATOM 689 NE ARG A 47 10.680 -1.192 10.315 1.00 1.00 N ATOM 690 CZ ARG A 47 11.867 -0.782 10.750 1.00 1.00 C ATOM 691 NH1 ARG A 47 12.368 -1.267 11.859 1.00 1.00 N ATOM 692 NH2 ARG A 47 12.528 0.106 10.058 1.00 1.00 N ATOM 0 H ARG A 47 7.894 -3.084 7.461 1.00 1.00 H new ATOM 0 HA ARG A 47 10.359 -1.835 7.974 1.00 1.00 H new ATOM 0 HB2 ARG A 47 9.225 -4.585 8.672 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.723 -3.967 9.338 1.00 1.00 H new ATOM 0 HG2 ARG A 47 8.301 -2.156 9.560 1.00 1.00 H new ATOM 0 HG3 ARG A 47 8.299 -3.587 10.571 1.00 1.00 H new ATOM 0 HD2 ARG A 47 9.325 -1.730 11.825 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.558 -2.929 11.487 1.00 1.00 H new ATOM 0 HE ARG A 47 10.304 -0.790 9.456 1.00 1.00 H new ATOM 0 HH11 ARG A 47 11.847 -1.963 12.393 1.00 1.00 H new ATOM 0 HH12 ARG A 47 13.279 -0.949 12.189 1.00 1.00 H new ATOM 0 HH21 ARG A 47 12.132 0.477 9.194 1.00 1.00 H new ATOM 0 HH22 ARG A 47 13.440 0.429 10.381 1.00 1.00 H new ATOM 706 N GLU A 48 10.475 -4.402 5.909 1.00 1.00 N ATOM 707 CA GLU A 48 11.361 -5.084 4.975 1.00 1.00 C ATOM 708 C GLU A 48 11.972 -4.075 4.014 1.00 1.00 C ATOM 709 O GLU A 48 13.181 -4.073 3.776 1.00 1.00 O ATOM 710 CB GLU A 48 10.570 -6.139 4.180 1.00 1.00 C ATOM 711 CG GLU A 48 11.513 -6.990 3.310 1.00 1.00 C ATOM 712 CD GLU A 48 12.372 -7.899 4.187 1.00 1.00 C ATOM 713 OE1 GLU A 48 12.111 -7.965 5.378 1.00 1.00 O ATOM 714 OE2 GLU A 48 13.275 -8.523 3.652 1.00 1.00 O ATOM 0 H GLU A 48 9.499 -4.695 5.871 1.00 1.00 H new ATOM 0 HA GLU A 48 12.156 -5.577 5.535 1.00 1.00 H new ATOM 0 HB2 GLU A 48 10.022 -6.783 4.868 1.00 1.00 H new ATOM 0 HB3 GLU A 48 9.831 -5.646 3.548 1.00 1.00 H new ATOM 0 HG2 GLU A 48 10.930 -7.592 2.613 1.00 1.00 H new ATOM 0 HG3 GLU A 48 12.153 -6.340 2.713 1.00 1.00 H new ATOM 721 N LYS A 49 11.115 -3.226 3.457 1.00 1.00 N ATOM 722 CA LYS A 49 11.538 -2.211 2.500 1.00 1.00 C ATOM 723 C LYS A 49 11.922 -0.931 3.228 1.00 1.00 C ATOM 724 O LYS A 49 11.778 -0.827 4.444 1.00 1.00 O ATOM 725 CB LYS A 49 10.397 -1.930 1.497 1.00 1.00 C ATOM 726 CG LYS A 49 9.699 -3.233 1.063 1.00 1.00 C ATOM 727 CD LYS A 49 10.684 -4.139 0.327 1.00 1.00 C ATOM 728 CE LYS A 49 9.964 -5.387 -0.168 1.00 1.00 C ATOM 729 NZ LYS A 49 10.920 -6.220 -0.948 1.00 1.00 N ATOM 0 H LYS A 49 10.114 -3.222 3.655 1.00 1.00 H new ATOM 0 HA LYS A 49 12.408 -2.577 1.956 1.00 1.00 H new ATOM 0 HB2 LYS A 49 9.668 -1.258 1.951 1.00 1.00 H new ATOM 0 HB3 LYS A 49 10.798 -1.420 0.621 1.00 1.00 H new ATOM 0 HG2 LYS A 49 9.301 -3.750 1.937 1.00 1.00 H new ATOM 0 HG3 LYS A 49 8.852 -3.003 0.416 1.00 1.00 H new ATOM 0 HD2 LYS A 49 11.125 -3.605 -0.514 1.00 1.00 H new ATOM 0 HD3 LYS A 49 11.502 -4.419 0.991 1.00 1.00 H new ATOM 0 HE2 LYS A 49 9.571 -5.955 0.676 1.00 1.00 H new ATOM 0 HE3 LYS A 49 9.113 -5.109 -0.789 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 10.437 -7.075 -1.290 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 11.274 -5.674 -1.759 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 11.718 -6.494 -0.340 1.00 1.00 H new ATOM 743 N GLN A 50 12.423 0.036 2.470 1.00 1.00 N ATOM 744 CA GLN A 50 12.835 1.304 3.052 1.00 1.00 C ATOM 745 C GLN A 50 12.801 2.426 2.033 1.00 1.00 C ATOM 746 O GLN A 50 13.374 2.285 0.957 1.00 1.00 O ATOM 747 CB GLN A 50 14.274 1.200 3.588 1.00 1.00 C ATOM 748 CG GLN A 50 15.281 1.069 2.411 1.00 1.00 C ATOM 749 CD GLN A 50 16.630 0.550 2.891 1.00 1.00 C ATOM 750 OE1 GLN A 50 16.891 0.517 4.089 1.00 1.00 O ATOM 751 NE2 GLN A 50 17.513 0.150 2.007 1.00 1.00 N ATOM 0 H GLN A 50 12.553 -0.033 1.461 1.00 1.00 H new ATOM 0 HA GLN A 50 12.135 1.526 3.857 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.512 2.082 4.183 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.362 0.337 4.248 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.877 0.393 1.657 1.00 1.00 H new ATOM 0 HG3 GLN A 50 15.412 2.039 1.932 1.00 1.00 H new ATOM 0 HE21 GLN A 50 17.289 0.180 1.012 1.00 1.00 H new ATOM 0 HE22 GLN A 50 18.424 -0.191 2.314 1.00 1.00 H new ATOM 760 N ALA A 51 12.064 3.489 2.396 1.00 1.00 N ATOM 761 CA ALA A 51 11.866 4.710 1.554 1.00 1.00 C ATOM 762 C ALA A 51 12.677 4.601 0.252 1.00 1.00 C ATOM 763 O ALA A 51 13.894 4.432 0.308 1.00 1.00 O ATOM 764 CB ALA A 51 12.320 5.954 2.336 1.00 1.00 C ATOM 0 H ALA A 51 11.577 3.538 3.291 1.00 1.00 H new ATOM 0 HA ALA A 51 10.808 4.796 1.305 1.00 1.00 H new ATOM 0 HB1 ALA A 51 12.175 6.843 1.722 1.00 1.00 H new ATOM 0 HB2 ALA A 51 11.732 6.044 3.249 1.00 1.00 H new ATOM 0 HB3 ALA A 51 13.375 5.858 2.592 1.00 1.00 H new ATOM 770 N GLY A 52 12.028 4.727 -0.910 1.00 1.00 N ATOM 771 CA GLY A 52 12.740 4.621 -2.196 1.00 1.00 C ATOM 772 C GLY A 52 12.460 3.252 -2.828 1.00 1.00 C ATOM 773 O GLY A 52 12.852 2.991 -3.963 1.00 1.00 O ATOM 0 H GLY A 52 11.026 4.900 -0.991 1.00 1.00 H new ATOM 0 HA2 GLY A 52 12.417 5.416 -2.868 1.00 1.00 H new ATOM 0 HA3 GLY A 52 13.811 4.749 -2.042 1.00 1.00 H new ATOM 777 N ASP A 53 11.770 2.378 -2.080 1.00 1.00 N ATOM 778 CA ASP A 53 11.437 1.039 -2.585 1.00 1.00 C ATOM 779 C ASP A 53 10.170 1.078 -3.435 1.00 1.00 C ATOM 780 O ASP A 53 9.540 2.125 -3.581 1.00 1.00 O ATOM 781 CB ASP A 53 11.238 0.067 -1.427 1.00 1.00 C ATOM 782 CG ASP A 53 11.111 -1.362 -1.962 1.00 1.00 C ATOM 783 OD1 ASP A 53 12.136 -1.980 -2.198 1.00 1.00 O ATOM 784 OD2 ASP A 53 9.993 -1.814 -2.127 1.00 1.00 O ATOM 0 H ASP A 53 11.436 2.571 -1.136 1.00 1.00 H new ATOM 0 HA ASP A 53 12.268 0.700 -3.203 1.00 1.00 H new ATOM 0 HB2 ASP A 53 12.079 0.133 -0.737 1.00 1.00 H new ATOM 0 HB3 ASP A 53 10.343 0.335 -0.865 1.00 1.00 H new ATOM 789 N ARG A 54 9.805 -0.079 -3.995 1.00 1.00 N ATOM 790 CA ARG A 54 8.612 -0.200 -4.842 1.00 1.00 C ATOM 791 C ARG A 54 7.993 -1.576 -4.656 1.00 1.00 C ATOM 792 O ARG A 54 8.668 -2.586 -4.852 1.00 1.00 O ATOM 793 CB ARG A 54 8.992 -0.020 -6.324 1.00 1.00 C ATOM 794 CG ARG A 54 9.942 1.164 -6.464 1.00 1.00 C ATOM 795 CD ARG A 54 10.215 1.433 -7.943 1.00 1.00 C ATOM 796 NE ARG A 54 8.992 1.876 -8.594 1.00 1.00 N ATOM 797 CZ ARG A 54 8.954 2.127 -9.899 1.00 1.00 C ATOM 798 NH1 ARG A 54 10.034 1.987 -10.624 1.00 1.00 N ATOM 799 NH2 ARG A 54 7.837 2.516 -10.457 1.00 1.00 N ATOM 0 H ARG A 54 10.321 -0.951 -3.877 1.00 1.00 H new ATOM 0 HA ARG A 54 7.899 0.572 -4.555 1.00 1.00 H new ATOM 0 HB2 ARG A 54 9.465 -0.926 -6.702 1.00 1.00 H new ATOM 0 HB3 ARG A 54 8.096 0.146 -6.923 1.00 1.00 H new ATOM 0 HG2 ARG A 54 9.508 2.048 -5.998 1.00 1.00 H new ATOM 0 HG3 ARG A 54 10.877 0.956 -5.944 1.00 1.00 H new ATOM 0 HD2 ARG A 54 10.990 2.192 -8.048 1.00 1.00 H new ATOM 0 HD3 ARG A 54 10.588 0.529 -8.424 1.00 1.00 H new ATOM 0 HE ARG A 54 8.146 1.997 -8.038 1.00 1.00 H new ATOM 0 HH11 ARG A 54 10.905 1.685 -10.188 1.00 1.00 H new ATOM 0 HH12 ARG A 54 10.005 2.180 -11.625 1.00 1.00 H new ATOM 0 HH21 ARG A 54 6.996 2.627 -9.891 1.00 1.00 H new ATOM 0 HH22 ARG A 54 7.807 2.709 -11.458 1.00 1.00 H new ATOM 813 N VAL A 55 6.711 -1.618 -4.272 1.00 1.00 N ATOM 814 CA VAL A 55 6.014 -2.894 -4.057 1.00 1.00 C ATOM 815 C VAL A 55 4.657 -2.927 -4.775 1.00 1.00 C ATOM 816 O VAL A 55 3.846 -2.002 -4.691 1.00 1.00 O ATOM 817 CB VAL A 55 5.814 -3.135 -2.543 1.00 1.00 C ATOM 818 CG1 VAL A 55 7.150 -3.520 -1.876 1.00 1.00 C ATOM 819 CG2 VAL A 55 5.270 -1.848 -1.915 1.00 1.00 C ATOM 0 H VAL A 55 6.138 -0.791 -4.105 1.00 1.00 H new ATOM 0 HA VAL A 55 6.633 -3.687 -4.477 1.00 1.00 H new ATOM 0 HB VAL A 55 5.111 -3.954 -2.393 1.00 1.00 H new ATOM 0 HG11 VAL A 55 6.990 -3.686 -0.811 1.00 1.00 H new ATOM 0 HG12 VAL A 55 7.534 -4.432 -2.332 1.00 1.00 H new ATOM 0 HG13 VAL A 55 7.871 -2.714 -2.014 1.00 1.00 H new ATOM 0 HG21 VAL A 55 5.122 -1.999 -0.846 1.00 1.00 H new ATOM 0 HG22 VAL A 55 5.982 -1.037 -2.072 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.318 -1.590 -2.380 1.00 1.00 H new ATOM 829 N ARG A 56 4.446 -4.025 -5.482 1.00 1.00 N ATOM 830 CA ARG A 56 3.213 -4.252 -6.227 1.00 1.00 C ATOM 831 C ARG A 56 2.125 -4.608 -5.226 1.00 1.00 C ATOM 832 O ARG A 56 2.217 -5.614 -4.524 1.00 1.00 O ATOM 833 CB ARG A 56 3.410 -5.399 -7.240 1.00 1.00 C ATOM 834 CG ARG A 56 4.123 -4.887 -8.505 1.00 1.00 C ATOM 835 CD ARG A 56 5.498 -4.308 -8.148 1.00 1.00 C ATOM 836 NE ARG A 56 6.222 -5.232 -7.277 1.00 1.00 N ATOM 837 CZ ARG A 56 6.847 -6.306 -7.766 1.00 1.00 C ATOM 838 NH1 ARG A 56 6.809 -6.551 -9.050 1.00 1.00 N ATOM 839 NH2 ARG A 56 7.490 -7.117 -6.963 1.00 1.00 N ATOM 0 H ARG A 56 5.122 -4.785 -5.557 1.00 1.00 H new ATOM 0 HA ARG A 56 2.933 -3.358 -6.784 1.00 1.00 H new ATOM 0 HB2 ARG A 56 3.995 -6.198 -6.784 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.443 -5.825 -7.508 1.00 1.00 H new ATOM 0 HG2 ARG A 56 4.239 -5.702 -9.219 1.00 1.00 H new ATOM 0 HG3 ARG A 56 3.514 -4.123 -8.989 1.00 1.00 H new ATOM 0 HD2 ARG A 56 6.072 -4.127 -9.057 1.00 1.00 H new ATOM 0 HD3 ARG A 56 5.378 -3.346 -7.650 1.00 1.00 H new ATOM 0 HE ARG A 56 6.250 -5.052 -6.273 1.00 1.00 H new ATOM 0 HH11 ARG A 56 6.303 -5.923 -9.674 1.00 1.00 H new ATOM 0 HH12 ARG A 56 7.285 -7.370 -9.427 1.00 1.00 H new ATOM 0 HH21 ARG A 56 7.514 -6.929 -5.961 1.00 1.00 H new ATOM 0 HH22 ARG A 56 7.966 -7.936 -7.340 1.00 1.00 H new ATOM 853 N VAL A 57 1.104 -3.760 -5.152 1.00 1.00 N ATOM 854 CA VAL A 57 -0.010 -3.957 -4.215 1.00 1.00 C ATOM 855 C VAL A 57 -1.226 -4.478 -4.962 1.00 1.00 C ATOM 856 O VAL A 57 -1.564 -3.966 -6.014 1.00 1.00 O ATOM 857 CB VAL A 57 -0.344 -2.623 -3.523 1.00 1.00 C ATOM 858 CG1 VAL A 57 -1.628 -2.763 -2.669 1.00 1.00 C ATOM 859 CG2 VAL A 57 0.839 -2.215 -2.635 1.00 1.00 C ATOM 0 H VAL A 57 1.020 -2.924 -5.730 1.00 1.00 H new ATOM 0 HA VAL A 57 0.278 -4.688 -3.459 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.520 -1.857 -4.278 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.850 -1.811 -2.187 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.462 -3.048 -3.310 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.477 -3.529 -1.908 1.00 1.00 H new ATOM 0 HG21 VAL A 57 0.613 -1.271 -2.140 1.00 1.00 H new ATOM 0 HG22 VAL A 57 1.013 -2.986 -1.884 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.732 -2.098 -3.249 1.00 1.00 H new ATOM 869 N THR A 58 -1.886 -5.492 -4.400 1.00 1.00 N ATOM 870 CA THR A 58 -3.082 -6.086 -5.008 1.00 1.00 C ATOM 871 C THR A 58 -4.332 -5.572 -4.301 1.00 1.00 C ATOM 872 O THR A 58 -4.394 -5.574 -3.073 1.00 1.00 O ATOM 873 CB THR A 58 -3.018 -7.611 -4.853 1.00 1.00 C ATOM 874 OG1 THR A 58 -1.761 -8.075 -5.326 1.00 1.00 O ATOM 875 CG2 THR A 58 -4.142 -8.269 -5.660 1.00 1.00 C ATOM 0 H THR A 58 -1.611 -5.923 -3.518 1.00 1.00 H new ATOM 0 HA THR A 58 -3.122 -5.814 -6.063 1.00 1.00 H new ATOM 0 HB THR A 58 -3.138 -7.872 -3.801 1.00 1.00 H new ATOM 0 HG1 THR A 58 -1.714 -9.049 -5.228 1.00 1.00 H new ATOM 0 HG21 THR A 58 -4.088 -9.351 -5.543 1.00 1.00 H new ATOM 0 HG22 THR A 58 -5.106 -7.913 -5.298 1.00 1.00 H new ATOM 0 HG23 THR A 58 -4.032 -8.012 -6.713 1.00 1.00 H new ATOM 883 N PHE A 59 -5.340 -5.159 -5.071 1.00 1.00 N ATOM 884 CA PHE A 59 -6.598 -4.675 -4.482 1.00 1.00 C ATOM 885 C PHE A 59 -7.769 -5.052 -5.396 1.00 1.00 C ATOM 886 O PHE A 59 -7.584 -5.158 -6.607 1.00 1.00 O ATOM 887 CB PHE A 59 -6.560 -3.146 -4.313 1.00 1.00 C ATOM 888 CG PHE A 59 -6.713 -2.454 -5.667 1.00 1.00 C ATOM 889 CD1 PHE A 59 -5.588 -2.147 -6.448 1.00 1.00 C ATOM 890 CD2 PHE A 59 -7.996 -2.114 -6.130 1.00 1.00 C ATOM 891 CE1 PHE A 59 -5.754 -1.489 -7.681 1.00 1.00 C ATOM 892 CE2 PHE A 59 -8.153 -1.467 -7.356 1.00 1.00 C ATOM 893 CZ PHE A 59 -7.035 -1.148 -8.130 1.00 1.00 C ATOM 0 H PHE A 59 -5.316 -5.148 -6.091 1.00 1.00 H new ATOM 0 HA PHE A 59 -6.726 -5.137 -3.503 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -7.359 -2.828 -3.643 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -5.619 -2.849 -3.850 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -4.600 -2.414 -6.104 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -8.864 -2.355 -5.534 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -4.890 -1.247 -8.282 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -9.142 -1.212 -7.708 1.00 1.00 H new ATOM 0 HZ PHE A 59 -7.159 -0.639 -9.074 1.00 1.00 H new ATOM 903 N ILE A 60 -8.967 -5.269 -4.822 1.00 1.00 N ATOM 904 CA ILE A 60 -10.156 -5.654 -5.600 1.00 1.00 C ATOM 905 C ILE A 60 -11.154 -4.506 -5.664 1.00 1.00 C ATOM 906 O ILE A 60 -11.469 -3.872 -4.656 1.00 1.00 O ATOM 907 CB ILE A 60 -10.817 -6.911 -4.938 1.00 1.00 C ATOM 908 CG1 ILE A 60 -10.172 -8.199 -5.498 1.00 1.00 C ATOM 909 CG2 ILE A 60 -12.347 -6.970 -5.192 1.00 1.00 C ATOM 910 CD1 ILE A 60 -8.645 -8.172 -5.307 1.00 1.00 C ATOM 0 H ILE A 60 -9.136 -5.184 -3.820 1.00 1.00 H new ATOM 0 HA ILE A 60 -9.854 -5.893 -6.619 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.651 -6.833 -3.864 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.591 -9.070 -4.994 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.409 -8.299 -6.557 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.761 -7.858 -4.714 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.819 -6.080 -4.776 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.536 -7.013 -6.265 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.212 -9.088 -5.708 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.228 -7.313 -5.832 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.412 -8.096 -4.245 1.00 1.00 H new ATOM 922 N ARG A 61 -11.678 -4.283 -6.869 1.00 1.00 N ATOM 923 CA ARG A 61 -12.677 -3.257 -7.111 1.00 1.00 C ATOM 924 C ARG A 61 -13.761 -3.805 -8.050 1.00 1.00 C ATOM 925 O ARG A 61 -13.484 -4.205 -9.179 1.00 1.00 O ATOM 926 CB ARG A 61 -11.994 -2.017 -7.710 1.00 1.00 C ATOM 927 CG ARG A 61 -13.043 -1.028 -8.257 1.00 1.00 C ATOM 928 CD ARG A 61 -12.398 0.337 -8.516 1.00 1.00 C ATOM 929 NE ARG A 61 -12.130 0.989 -7.240 1.00 1.00 N ATOM 930 CZ ARG A 61 -13.109 1.584 -6.557 1.00 1.00 C ATOM 931 NH1 ARG A 61 -14.321 1.610 -7.049 1.00 1.00 N ATOM 932 NH2 ARG A 61 -12.862 2.130 -5.395 1.00 1.00 N ATOM 0 H ARG A 61 -11.418 -4.812 -7.702 1.00 1.00 H new ATOM 0 HA ARG A 61 -13.155 -2.969 -6.175 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -11.387 -1.527 -6.949 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -11.319 -2.319 -8.511 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -13.473 -1.416 -9.180 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -13.861 -0.923 -7.544 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -11.472 0.215 -9.077 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -13.059 0.956 -9.123 1.00 1.00 H new ATOM 0 HE ARG A 61 -11.182 0.990 -6.865 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -14.514 1.176 -7.952 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -15.073 2.064 -6.530 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -11.919 2.102 -5.008 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -13.613 2.584 -4.875 1.00 1.00 H new ATOM 946 N ASP A 62 -14.997 -3.793 -7.565 1.00 1.00 N ATOM 947 CA ASP A 62 -16.139 -4.260 -8.348 1.00 1.00 C ATOM 948 C ASP A 62 -15.895 -5.668 -8.881 1.00 1.00 C ATOM 949 O ASP A 62 -16.246 -5.959 -10.020 1.00 1.00 O ATOM 950 CB ASP A 62 -16.393 -3.315 -9.534 1.00 1.00 C ATOM 951 CG ASP A 62 -16.890 -1.959 -9.045 1.00 1.00 C ATOM 952 OD1 ASP A 62 -17.270 -1.870 -7.891 1.00 1.00 O ATOM 953 OD2 ASP A 62 -16.885 -1.030 -9.836 1.00 1.00 O ATOM 0 H ASP A 62 -15.236 -3.464 -6.630 1.00 1.00 H new ATOM 0 HA ASP A 62 -17.009 -4.272 -7.692 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -15.474 -3.186 -10.106 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -17.128 -3.757 -10.206 1.00 1.00 H new ATOM 958 N ARG A 63 -15.291 -6.523 -8.057 1.00 1.00 N ATOM 959 CA ARG A 63 -14.995 -7.901 -8.435 1.00 1.00 C ATOM 960 C ARG A 63 -13.896 -7.966 -9.491 1.00 1.00 C ATOM 961 O ARG A 63 -13.631 -9.034 -10.046 1.00 1.00 O ATOM 962 CB ARG A 63 -16.247 -8.619 -8.942 1.00 1.00 C ATOM 963 CG ARG A 63 -17.406 -8.471 -7.940 1.00 1.00 C ATOM 964 CD ARG A 63 -17.128 -9.267 -6.654 1.00 1.00 C ATOM 965 NE ARG A 63 -18.344 -9.366 -5.863 1.00 1.00 N ATOM 966 CZ ARG A 63 -18.346 -9.983 -4.688 1.00 1.00 C ATOM 967 NH1 ARG A 63 -17.241 -10.509 -4.222 1.00 1.00 N ATOM 968 NH2 ARG A 63 -19.453 -10.062 -4.002 1.00 1.00 N ATOM 0 H ARG A 63 -14.995 -6.280 -7.112 1.00 1.00 H new ATOM 0 HA ARG A 63 -14.642 -8.409 -7.537 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.541 -8.208 -9.908 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -16.028 -9.675 -9.098 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -17.549 -7.418 -7.697 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -18.332 -8.821 -8.396 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -16.764 -10.263 -6.904 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -16.345 -8.778 -6.075 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.208 -8.955 -6.216 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -16.378 -10.445 -4.762 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -17.243 -10.983 -3.319 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -20.311 -9.651 -4.369 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -19.460 -10.535 -3.098 1.00 1.00 H new ATOM 982 N LYS A 64 -13.242 -6.827 -9.747 1.00 1.00 N ATOM 983 CA LYS A 64 -12.143 -6.759 -10.718 1.00 1.00 C ATOM 984 C LYS A 64 -10.821 -6.534 -9.987 1.00 1.00 C ATOM 985 O LYS A 64 -10.549 -5.443 -9.490 1.00 1.00 O ATOM 986 CB LYS A 64 -12.377 -5.605 -11.706 1.00 1.00 C ATOM 987 CG LYS A 64 -13.794 -5.688 -12.299 1.00 1.00 C ATOM 988 CD LYS A 64 -13.921 -4.747 -13.506 1.00 1.00 C ATOM 989 CE LYS A 64 -13.773 -3.278 -13.075 1.00 1.00 C ATOM 990 NZ LYS A 64 -14.225 -2.389 -14.184 1.00 1.00 N ATOM 0 H LYS A 64 -13.455 -5.938 -9.294 1.00 1.00 H new ATOM 0 HA LYS A 64 -12.104 -7.700 -11.267 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -12.244 -4.650 -11.198 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.638 -5.647 -12.506 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -14.009 -6.712 -12.603 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -14.530 -5.420 -11.541 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -13.158 -4.992 -14.245 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -14.889 -4.894 -13.986 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -14.364 -3.089 -12.179 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -12.734 -3.064 -12.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -14.126 -1.395 -13.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -13.643 -2.564 -15.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -15.222 -2.588 -14.404 1.00 1.00 H new ATOM 1004 N GLN A 65 -10.008 -7.583 -9.921 1.00 1.00 N ATOM 1005 CA GLN A 65 -8.717 -7.517 -9.250 1.00 1.00 C ATOM 1006 C GLN A 65 -7.690 -6.776 -10.099 1.00 1.00 C ATOM 1007 O GLN A 65 -7.478 -7.106 -11.264 1.00 1.00 O ATOM 1008 CB GLN A 65 -8.223 -8.942 -8.963 1.00 1.00 C ATOM 1009 CG GLN A 65 -7.905 -9.701 -10.293 1.00 1.00 C ATOM 1010 CD GLN A 65 -6.428 -9.558 -10.688 1.00 1.00 C ATOM 1011 OE1 GLN A 65 -5.932 -10.322 -11.519 1.00 1.00 O ATOM 1012 NE2 GLN A 65 -5.696 -8.630 -10.138 1.00 1.00 N ATOM 0 H GLN A 65 -10.223 -8.494 -10.327 1.00 1.00 H new ATOM 0 HA GLN A 65 -8.840 -6.969 -8.316 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -7.330 -8.903 -8.339 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -8.981 -9.487 -8.401 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -8.150 -10.757 -10.177 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -8.535 -9.313 -11.093 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -6.106 -7.998 -9.451 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -4.713 -8.536 -10.395 1.00 1.00 H new ATOM 1021 N HIS A 66 -7.046 -5.776 -9.491 1.00 1.00 N ATOM 1022 CA HIS A 66 -6.016 -4.977 -10.168 1.00 1.00 C ATOM 1023 C HIS A 66 -4.878 -4.637 -9.209 1.00 1.00 C ATOM 1024 O HIS A 66 -5.095 -4.412 -8.018 1.00 1.00 O ATOM 1025 CB HIS A 66 -6.614 -3.677 -10.699 1.00 1.00 C ATOM 1026 CG HIS A 66 -7.681 -3.982 -11.707 1.00 1.00 C ATOM 1027 ND1 HIS A 66 -7.394 -4.395 -12.998 1.00 1.00 N ATOM 1028 CD2 HIS A 66 -9.043 -3.923 -11.623 1.00 1.00 C ATOM 1029 CE1 HIS A 66 -8.567 -4.565 -13.636 1.00 1.00 C ATOM 1030 NE2 HIS A 66 -9.605 -4.289 -12.843 1.00 1.00 N ATOM 0 H HIS A 66 -7.220 -5.498 -8.525 1.00 1.00 H new ATOM 0 HA HIS A 66 -5.628 -5.570 -10.996 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -7.033 -3.097 -9.877 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -5.834 -3.067 -11.155 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -6.465 -4.543 -13.392 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -9.600 -3.636 -10.743 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -8.657 -4.885 -14.663 1.00 1.00 H new ATOM 1039 N GLU A 67 -3.661 -4.607 -9.754 1.00 1.00 N ATOM 1040 CA GLU A 67 -2.454 -4.300 -8.992 1.00 1.00 C ATOM 1041 C GLU A 67 -2.164 -2.800 -9.030 1.00 1.00 C ATOM 1042 O GLU A 67 -2.343 -2.145 -10.059 1.00 1.00 O ATOM 1043 CB GLU A 67 -1.254 -5.056 -9.584 1.00 1.00 C ATOM 1044 CG GLU A 67 -1.425 -6.562 -9.374 1.00 1.00 C ATOM 1045 CD GLU A 67 -0.279 -7.323 -10.044 1.00 1.00 C ATOM 1046 OE1 GLU A 67 0.603 -6.678 -10.589 1.00 1.00 O ATOM 1047 OE2 GLU A 67 -0.302 -8.542 -10.004 1.00 1.00 O ATOM 0 H GLU A 67 -3.486 -4.796 -10.741 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.613 -4.610 -7.959 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.166 -4.837 -10.648 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.332 -4.718 -9.111 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.447 -6.788 -8.308 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.379 -6.888 -9.788 1.00 1.00 H new ATOM 1054 N ALA A 68 -1.719 -2.272 -7.888 1.00 1.00 N ATOM 1055 CA ALA A 68 -1.393 -0.846 -7.735 1.00 1.00 C ATOM 1056 C ALA A 68 0.084 -0.660 -7.401 1.00 1.00 C ATOM 1057 O ALA A 68 0.612 -1.263 -6.466 1.00 1.00 O ATOM 1058 CB ALA A 68 -2.243 -0.236 -6.615 1.00 1.00 C ATOM 0 H ALA A 68 -1.573 -2.819 -7.040 1.00 1.00 H new ATOM 0 HA ALA A 68 -1.607 -0.344 -8.679 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -1.997 0.820 -6.506 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.299 -0.339 -6.863 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.038 -0.755 -5.679 1.00 1.00 H new ATOM 1064 N GLU A 69 0.740 0.161 -8.212 1.00 1.00 N ATOM 1065 CA GLU A 69 2.171 0.437 -8.047 1.00 1.00 C ATOM 1066 C GLU A 69 2.379 1.471 -6.937 1.00 1.00 C ATOM 1067 O GLU A 69 2.155 2.665 -7.140 1.00 1.00 O ATOM 1068 CB GLU A 69 2.770 0.970 -9.360 1.00 1.00 C ATOM 1069 CG GLU A 69 4.307 0.985 -9.275 1.00 1.00 C ATOM 1070 CD GLU A 69 4.858 -0.440 -9.323 1.00 1.00 C ATOM 1071 OE1 GLU A 69 4.077 -1.350 -9.551 1.00 1.00 O ATOM 1072 OE2 GLU A 69 6.053 -0.602 -9.132 1.00 1.00 O ATOM 0 H GLU A 69 0.306 0.651 -8.994 1.00 1.00 H new ATOM 0 HA GLU A 69 2.673 -0.492 -7.778 1.00 1.00 H new ATOM 0 HB2 GLU A 69 2.451 0.345 -10.194 1.00 1.00 H new ATOM 0 HB3 GLU A 69 2.399 1.976 -9.555 1.00 1.00 H new ATOM 0 HG2 GLU A 69 4.717 1.568 -10.099 1.00 1.00 H new ATOM 0 HG3 GLU A 69 4.622 1.472 -8.352 1.00 1.00 H new ATOM 1079 N LEU A 70 2.798 0.990 -5.762 1.00 1.00 N ATOM 1080 CA LEU A 70 3.036 1.853 -4.591 1.00 1.00 C ATOM 1081 C LEU A 70 4.527 1.942 -4.282 1.00 1.00 C ATOM 1082 O LEU A 70 5.272 0.969 -4.418 1.00 1.00 O ATOM 1083 CB LEU A 70 2.263 1.304 -3.366 1.00 1.00 C ATOM 1084 CG LEU A 70 0.818 1.867 -3.323 1.00 1.00 C ATOM 1085 CD1 LEU A 70 0.829 3.403 -3.012 1.00 1.00 C ATOM 1086 CD2 LEU A 70 0.095 1.569 -4.666 1.00 1.00 C ATOM 0 H LEU A 70 2.982 0.001 -5.592 1.00 1.00 H new ATOM 0 HA LEU A 70 2.675 2.856 -4.817 1.00 1.00 H new ATOM 0 HB2 LEU A 70 2.232 0.215 -3.409 1.00 1.00 H new ATOM 0 HB3 LEU A 70 2.789 1.572 -2.450 1.00 1.00 H new ATOM 0 HG LEU A 70 0.270 1.374 -2.520 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -0.195 3.776 -2.987 1.00 1.00 H new ATOM 0 HD12 LEU A 70 1.302 3.575 -2.045 1.00 1.00 H new ATOM 0 HD13 LEU A 70 1.387 3.927 -3.788 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -0.919 1.967 -4.629 1.00 1.00 H new ATOM 0 HD22 LEU A 70 0.640 2.039 -5.485 1.00 1.00 H new ATOM 0 HD23 LEU A 70 0.056 0.492 -4.827 1.00 1.00 H new ATOM 1098 N VAL A 71 4.940 3.142 -3.867 1.00 1.00 N ATOM 1099 CA VAL A 71 6.334 3.431 -3.524 1.00 1.00 C ATOM 1100 C VAL A 71 6.429 3.976 -2.104 1.00 1.00 C ATOM 1101 O VAL A 71 5.633 4.822 -1.689 1.00 1.00 O ATOM 1102 CB VAL A 71 6.921 4.451 -4.509 1.00 1.00 C ATOM 1103 CG1 VAL A 71 6.850 3.879 -5.927 1.00 1.00 C ATOM 1104 CG2 VAL A 71 6.131 5.766 -4.453 1.00 1.00 C ATOM 0 H VAL A 71 4.316 3.942 -3.759 1.00 1.00 H new ATOM 0 HA VAL A 71 6.904 2.504 -3.587 1.00 1.00 H new ATOM 0 HB VAL A 71 7.957 4.651 -4.237 1.00 1.00 H new ATOM 0 HG11 VAL A 71 7.266 4.600 -6.631 1.00 1.00 H new ATOM 0 HG12 VAL A 71 7.423 2.953 -5.975 1.00 1.00 H new ATOM 0 HG13 VAL A 71 5.811 3.677 -6.186 1.00 1.00 H new ATOM 0 HG21 VAL A 71 6.560 6.479 -5.157 1.00 1.00 H new ATOM 0 HG22 VAL A 71 5.090 5.577 -4.717 1.00 1.00 H new ATOM 0 HG23 VAL A 71 6.181 6.178 -3.445 1.00 1.00 H new ATOM 1114 N LEU A 72 7.384 3.451 -1.350 1.00 1.00 N ATOM 1115 CA LEU A 72 7.569 3.853 0.036 1.00 1.00 C ATOM 1116 C LEU A 72 8.138 5.255 0.123 1.00 1.00 C ATOM 1117 O LEU A 72 9.137 5.566 -0.527 1.00 1.00 O ATOM 1118 CB LEU A 72 8.545 2.873 0.707 1.00 1.00 C ATOM 1119 CG LEU A 72 7.840 1.551 1.076 1.00 1.00 C ATOM 1120 CD1 LEU A 72 6.816 1.754 2.233 1.00 1.00 C ATOM 1121 CD2 LEU A 72 7.138 0.962 -0.167 1.00 1.00 C ATOM 0 H LEU A 72 8.044 2.744 -1.676 1.00 1.00 H new ATOM 0 HA LEU A 72 6.602 3.841 0.538 1.00 1.00 H new ATOM 0 HB2 LEU A 72 9.379 2.669 0.036 1.00 1.00 H new ATOM 0 HB3 LEU A 72 8.963 3.329 1.605 1.00 1.00 H new ATOM 0 HG LEU A 72 8.598 0.850 1.425 1.00 1.00 H new ATOM 0 HD11 LEU A 72 6.338 0.803 2.467 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.334 2.127 3.116 1.00 1.00 H new ATOM 0 HD13 LEU A 72 6.058 2.475 1.926 1.00 1.00 H new ATOM 0 HD21 LEU A 72 6.643 0.029 0.103 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.398 1.672 -0.537 1.00 1.00 H new ATOM 0 HD23 LEU A 72 7.877 0.769 -0.945 1.00 1.00 H new ATOM 1133 N LYS A 73 7.495 6.108 0.934 1.00 1.00 N ATOM 1134 CA LYS A 73 7.946 7.486 1.109 1.00 1.00 C ATOM 1135 C LYS A 73 7.881 7.882 2.608 1.00 1.00 C ATOM 1136 O LYS A 73 6.931 7.511 3.303 1.00 1.00 O ATOM 1137 CB LYS A 73 7.059 8.420 0.272 1.00 1.00 C ATOM 1138 CG LYS A 73 5.580 8.019 0.422 1.00 1.00 C ATOM 1139 CD LYS A 73 4.686 9.130 -0.148 1.00 1.00 C ATOM 1140 CE LYS A 73 5.031 9.393 -1.625 1.00 1.00 C ATOM 1141 NZ LYS A 73 3.922 10.147 -2.260 1.00 1.00 N ATOM 0 H LYS A 73 6.665 5.864 1.475 1.00 1.00 H new ATOM 0 HA LYS A 73 8.979 7.575 0.774 1.00 1.00 H new ATOM 0 HB2 LYS A 73 7.199 9.452 0.594 1.00 1.00 H new ATOM 0 HB3 LYS A 73 7.353 8.371 -0.776 1.00 1.00 H new ATOM 0 HG2 LYS A 73 5.392 7.082 -0.102 1.00 1.00 H new ATOM 0 HG3 LYS A 73 5.343 7.850 1.472 1.00 1.00 H new ATOM 0 HD2 LYS A 73 3.638 8.844 -0.058 1.00 1.00 H new ATOM 0 HD3 LYS A 73 4.818 10.044 0.431 1.00 1.00 H new ATOM 0 HE2 LYS A 73 5.960 9.959 -1.698 1.00 1.00 H new ATOM 0 HE3 LYS A 73 5.190 8.449 -2.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 3.975 10.038 -3.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 3.011 9.778 -1.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 4.002 11.154 -2.014 1.00 1.00 H new ATOM 1155 N PRO A 74 8.862 8.612 3.118 1.00 1.00 N ATOM 1156 CA PRO A 74 8.895 9.041 4.548 1.00 1.00 C ATOM 1157 C PRO A 74 7.900 10.157 4.846 1.00 1.00 C ATOM 1158 O PRO A 74 7.346 10.773 3.937 1.00 1.00 O ATOM 1159 CB PRO A 74 10.353 9.498 4.744 1.00 1.00 C ATOM 1160 CG PRO A 74 10.752 10.017 3.400 1.00 1.00 C ATOM 1161 CD PRO A 74 10.046 9.098 2.399 1.00 1.00 C ATOM 0 HA PRO A 74 8.603 8.243 5.231 1.00 1.00 H new ATOM 0 HB2 PRO A 74 10.430 10.270 5.509 1.00 1.00 H new ATOM 0 HB3 PRO A 74 10.991 8.673 5.059 1.00 1.00 H new ATOM 0 HG2 PRO A 74 10.444 11.054 3.269 1.00 1.00 H new ATOM 0 HG3 PRO A 74 11.834 9.987 3.270 1.00 1.00 H new ATOM 0 HD2 PRO A 74 9.767 9.637 1.494 1.00 1.00 H new ATOM 0 HD3 PRO A 74 10.691 8.274 2.093 1.00 1.00 H new ATOM 1169 N PHE A 75 7.673 10.398 6.141 1.00 1.00 N ATOM 1170 CA PHE A 75 6.736 11.432 6.594 1.00 1.00 C ATOM 1171 C PHE A 75 7.496 12.727 6.950 1.00 1.00 C ATOM 1172 O PHE A 75 8.676 12.677 7.309 1.00 1.00 O ATOM 1173 CB PHE A 75 5.954 10.898 7.830 1.00 1.00 C ATOM 1174 CG PHE A 75 4.692 10.185 7.379 1.00 1.00 C ATOM 1175 CD1 PHE A 75 4.803 8.938 6.766 1.00 1.00 C ATOM 1176 CD2 PHE A 75 3.428 10.775 7.551 1.00 1.00 C ATOM 1177 CE1 PHE A 75 3.657 8.276 6.322 1.00 1.00 C ATOM 1178 CE2 PHE A 75 2.282 10.112 7.102 1.00 1.00 C ATOM 1179 CZ PHE A 75 2.398 8.863 6.486 1.00 1.00 C ATOM 0 H PHE A 75 8.128 9.888 6.898 1.00 1.00 H new ATOM 0 HA PHE A 75 6.033 11.665 5.794 1.00 1.00 H new ATOM 0 HB2 PHE A 75 6.583 10.215 8.401 1.00 1.00 H new ATOM 0 HB3 PHE A 75 5.697 11.724 8.493 1.00 1.00 H new ATOM 0 HD1 PHE A 75 5.774 8.485 6.635 1.00 1.00 H new ATOM 0 HD2 PHE A 75 3.342 11.739 8.029 1.00 1.00 H new ATOM 0 HE1 PHE A 75 3.743 7.308 5.851 1.00 1.00 H new ATOM 0 HE2 PHE A 75 1.310 10.564 7.231 1.00 1.00 H new ATOM 0 HZ PHE A 75 1.514 8.350 6.136 1.00 1.00 H new ATOM 1189 N PRO A 76 6.847 13.876 6.855 1.00 1.00 N ATOM 1190 CA PRO A 76 7.488 15.198 7.176 1.00 1.00 C ATOM 1191 C PRO A 76 7.883 15.314 8.652 1.00 1.00 C ATOM 1192 O PRO A 76 9.065 15.294 8.992 1.00 1.00 O ATOM 1193 CB PRO A 76 6.404 16.236 6.788 1.00 1.00 C ATOM 1194 CG PRO A 76 5.103 15.480 6.838 1.00 1.00 C ATOM 1195 CD PRO A 76 5.440 14.043 6.429 1.00 1.00 C ATOM 0 HA PRO A 76 8.424 15.342 6.637 1.00 1.00 H new ATOM 0 HB2 PRO A 76 6.398 17.078 7.481 1.00 1.00 H new ATOM 0 HB3 PRO A 76 6.586 16.643 5.793 1.00 1.00 H new ATOM 0 HG2 PRO A 76 4.671 15.511 7.838 1.00 1.00 H new ATOM 0 HG3 PRO A 76 4.370 15.918 6.160 1.00 1.00 H new ATOM 0 HD2 PRO A 76 4.785 13.323 6.920 1.00 1.00 H new ATOM 0 HD3 PRO A 76 5.327 13.896 5.355 1.00 1.00 H new ATOM 1203 N HIS A 77 6.886 15.436 9.520 1.00 1.00 N ATOM 1204 CA HIS A 77 7.143 15.557 10.952 1.00 1.00 C ATOM 1205 C HIS A 77 7.701 14.250 11.519 1.00 1.00 C ATOM 1206 O HIS A 77 7.805 14.087 12.733 1.00 1.00 O ATOM 1207 CB HIS A 77 5.848 15.927 11.682 1.00 1.00 C ATOM 1208 CG HIS A 77 4.815 14.851 11.475 1.00 1.00 C ATOM 1209 ND1 HIS A 77 3.585 14.864 12.119 1.00 1.00 N ATOM 1210 CD2 HIS A 77 4.816 13.724 10.699 1.00 1.00 C ATOM 1211 CE1 HIS A 77 2.906 13.772 11.717 1.00 1.00 C ATOM 1212 NE2 HIS A 77 3.612 13.044 10.851 1.00 1.00 N ATOM 0 H HIS A 77 5.899 15.454 9.262 1.00 1.00 H new ATOM 0 HA HIS A 77 7.884 16.342 11.103 1.00 1.00 H new ATOM 0 HB2 HIS A 77 6.044 16.054 12.747 1.00 1.00 H new ATOM 0 HB3 HIS A 77 5.471 16.880 11.311 1.00 1.00 H new ATOM 0 HD2 HIS A 77 5.630 13.409 10.063 1.00 1.00 H new ATOM 0 HE1 HIS A 77 1.912 13.518 12.055 1.00 1.00 H new ATOM 0 HE2 HIS A 77 3.330 12.175 10.397 1.00 1.00 H new ATOM 1221 N HIS A 78 8.057 13.325 10.627 1.00 1.00 N ATOM 1222 CA HIS A 78 8.604 12.034 11.021 1.00 1.00 C ATOM 1223 C HIS A 78 9.398 11.456 9.845 1.00 1.00 C ATOM 1224 O HIS A 78 8.926 10.539 9.170 1.00 1.00 O ATOM 1225 CB HIS A 78 7.459 11.091 11.402 1.00 1.00 C ATOM 1226 CG HIS A 78 6.810 11.578 12.669 1.00 1.00 C ATOM 1227 ND1 HIS A 78 5.482 11.973 12.722 1.00 1.00 N ATOM 1228 CD2 HIS A 78 7.301 11.743 13.939 1.00 1.00 C ATOM 1229 CE1 HIS A 78 5.224 12.352 13.987 1.00 1.00 C ATOM 1230 NE2 HIS A 78 6.299 12.232 14.770 1.00 1.00 N ATOM 0 H HIS A 78 7.974 13.452 9.618 1.00 1.00 H new ATOM 0 HA HIS A 78 9.263 12.150 11.881 1.00 1.00 H new ATOM 0 HB2 HIS A 78 6.725 11.049 10.597 1.00 1.00 H new ATOM 0 HB3 HIS A 78 7.838 10.078 11.541 1.00 1.00 H new ATOM 0 HD1 HIS A 78 4.822 11.976 11.945 1.00 1.00 H new ATOM 0 HD2 HIS A 78 8.313 11.526 14.247 1.00 1.00 H new ATOM 0 HE1 HIS A 78 4.264 12.710 14.328 1.00 1.00 H new ATOM 1239 N PRO A 79 10.576 11.993 9.571 1.00 1.00 N ATOM 1240 CA PRO A 79 11.417 11.528 8.433 1.00 1.00 C ATOM 1241 C PRO A 79 12.088 10.190 8.725 1.00 1.00 C ATOM 1242 O PRO A 79 12.617 9.554 7.816 1.00 1.00 O ATOM 1243 CB PRO A 79 12.453 12.658 8.241 1.00 1.00 C ATOM 1244 CG PRO A 79 12.576 13.305 9.593 1.00 1.00 C ATOM 1245 CD PRO A 79 11.224 13.094 10.313 1.00 1.00 C ATOM 0 HA PRO A 79 10.827 11.348 7.534 1.00 1.00 H new ATOM 0 HB2 PRO A 79 13.411 12.262 7.904 1.00 1.00 H new ATOM 0 HB3 PRO A 79 12.122 13.374 7.489 1.00 1.00 H new ATOM 0 HG2 PRO A 79 13.391 12.859 10.163 1.00 1.00 H new ATOM 0 HG3 PRO A 79 12.800 14.367 9.494 1.00 1.00 H new ATOM 0 HD2 PRO A 79 11.369 12.834 11.362 1.00 1.00 H new ATOM 0 HD3 PRO A 79 10.617 13.999 10.290 1.00 1.00 H new ATOM 1253 N ASN A 80 12.083 9.757 9.988 1.00 1.00 N ATOM 1254 CA ASN A 80 12.711 8.495 10.361 1.00 1.00 C ATOM 1255 C ASN A 80 11.695 7.358 10.295 1.00 1.00 C ATOM 1256 O ASN A 80 11.964 6.258 10.777 1.00 1.00 O ATOM 1257 CB ASN A 80 13.225 8.625 11.801 1.00 1.00 C ATOM 1258 CG ASN A 80 14.409 9.586 11.853 1.00 1.00 C ATOM 1259 OD1 ASN A 80 15.052 9.832 10.834 1.00 1.00 O ATOM 1260 ND2 ASN A 80 14.734 10.151 12.986 1.00 1.00 N ATOM 0 H ASN A 80 11.653 10.261 10.763 1.00 1.00 H new ATOM 0 HA ASN A 80 13.529 8.275 9.675 1.00 1.00 H new ATOM 0 HB2 ASN A 80 12.426 8.985 12.449 1.00 1.00 H new ATOM 0 HB3 ASN A 80 13.524 7.647 12.178 1.00 1.00 H new ATOM 0 HD21 ASN A 80 15.522 10.797 13.026 1.00 1.00 H new ATOM 0 HD22 ASN A 80 14.199 9.946 13.830 1.00 1.00 H new ATOM 1267 N GLN A 81 10.526 7.620 9.695 1.00 1.00 N ATOM 1268 CA GLN A 81 9.467 6.605 9.573 1.00 1.00 C ATOM 1269 C GLN A 81 8.978 6.580 8.142 1.00 1.00 C ATOM 1270 O GLN A 81 8.994 7.597 7.451 1.00 1.00 O ATOM 1271 CB GLN A 81 8.291 6.937 10.526 1.00 1.00 C ATOM 1272 CG GLN A 81 8.548 6.345 11.918 1.00 1.00 C ATOM 1273 CD GLN A 81 9.814 6.948 12.517 1.00 1.00 C ATOM 1274 OE1 GLN A 81 9.981 8.170 12.518 1.00 1.00 O ATOM 1275 NE2 GLN A 81 10.725 6.161 13.024 1.00 1.00 N ATOM 0 H GLN A 81 10.289 8.524 9.287 1.00 1.00 H new ATOM 0 HA GLN A 81 9.866 5.628 9.846 1.00 1.00 H new ATOM 0 HB2 GLN A 81 8.168 8.018 10.600 1.00 1.00 H new ATOM 0 HB3 GLN A 81 7.362 6.538 10.120 1.00 1.00 H new ATOM 0 HG2 GLN A 81 7.697 6.544 12.569 1.00 1.00 H new ATOM 0 HG3 GLN A 81 8.649 5.262 11.848 1.00 1.00 H new ATOM 0 HE21 GLN A 81 10.585 5.151 13.022 1.00 1.00 H new ATOM 0 HE22 GLN A 81 11.577 6.557 13.422 1.00 1.00 H new ATOM 1284 N ILE A 82 8.554 5.396 7.711 1.00 1.00 N ATOM 1285 CA ILE A 82 8.066 5.182 6.345 1.00 1.00 C ATOM 1286 C ILE A 82 6.553 4.995 6.352 1.00 1.00 C ATOM 1287 O ILE A 82 5.905 5.096 7.395 1.00 1.00 O ATOM 1288 CB ILE A 82 8.777 3.933 5.711 1.00 1.00 C ATOM 1289 CG1 ILE A 82 10.020 3.528 6.540 1.00 1.00 C ATOM 1290 CG2 ILE A 82 9.230 4.238 4.280 1.00 1.00 C ATOM 1291 CD1 ILE A 82 11.031 4.690 6.672 1.00 1.00 C ATOM 0 H ILE A 82 8.537 4.558 8.293 1.00 1.00 H new ATOM 0 HA ILE A 82 8.301 6.058 5.740 1.00 1.00 H new ATOM 0 HB ILE A 82 8.056 3.115 5.706 1.00 1.00 H new ATOM 0 HG12 ILE A 82 9.705 3.207 7.533 1.00 1.00 H new ATOM 0 HG13 ILE A 82 10.508 2.675 6.069 1.00 1.00 H new ATOM 0 HG21 ILE A 82 9.720 3.360 3.859 1.00 1.00 H new ATOM 0 HG22 ILE A 82 8.364 4.497 3.671 1.00 1.00 H new ATOM 0 HG23 ILE A 82 9.929 5.074 4.290 1.00 1.00 H new ATOM 0 HD11 ILE A 82 11.887 4.362 7.261 1.00 1.00 H new ATOM 0 HD12 ILE A 82 11.367 4.994 5.681 1.00 1.00 H new ATOM 0 HD13 ILE A 82 10.552 5.535 7.167 1.00 1.00 H new ATOM 1303 N GLY A 83 6.002 4.690 5.178 1.00 1.00 N ATOM 1304 CA GLY A 83 4.560 4.449 5.039 1.00 1.00 C ATOM 1305 C GLY A 83 4.064 4.892 3.665 1.00 1.00 C ATOM 1306 O GLY A 83 4.681 5.742 3.022 1.00 1.00 O ATOM 0 H GLY A 83 6.528 4.603 4.309 1.00 1.00 H new ATOM 0 HA2 GLY A 83 4.349 3.389 5.182 1.00 1.00 H new ATOM 0 HA3 GLY A 83 4.020 4.989 5.817 1.00 1.00 H new ATOM 1310 N LEU A 84 2.958 4.302 3.210 1.00 1.00 N ATOM 1311 CA LEU A 84 2.416 4.644 1.899 1.00 1.00 C ATOM 1312 C LEU A 84 1.989 6.113 1.864 1.00 1.00 C ATOM 1313 O LEU A 84 2.762 6.979 1.453 1.00 1.00 O ATOM 1314 CB LEU A 84 1.197 3.732 1.619 1.00 1.00 C ATOM 1315 CG LEU A 84 1.630 2.405 0.991 1.00 1.00 C ATOM 1316 CD1 LEU A 84 2.564 1.669 1.947 1.00 1.00 C ATOM 1317 CD2 LEU A 84 0.386 1.548 0.722 1.00 1.00 C ATOM 0 H LEU A 84 2.429 3.596 3.722 1.00 1.00 H new ATOM 0 HA LEU A 84 3.180 4.494 1.136 1.00 1.00 H new ATOM 0 HB2 LEU A 84 0.662 3.540 2.549 1.00 1.00 H new ATOM 0 HB3 LEU A 84 0.503 4.243 0.952 1.00 1.00 H new ATOM 0 HG LEU A 84 2.154 2.594 0.054 1.00 1.00 H new ATOM 0 HD11 LEU A 84 2.872 0.724 1.499 1.00 1.00 H new ATOM 0 HD12 LEU A 84 3.444 2.283 2.141 1.00 1.00 H new ATOM 0 HD13 LEU A 84 2.044 1.474 2.885 1.00 1.00 H new ATOM 0 HD21 LEU A 84 0.687 0.601 0.274 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -0.134 1.357 1.661 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -0.279 2.077 0.040 1.00 1.00 H new ATOM 1329 N GLY A 85 0.755 6.400 2.280 1.00 1.00 N ATOM 1330 CA GLY A 85 0.268 7.768 2.260 1.00 1.00 C ATOM 1331 C GLY A 85 -1.214 7.828 2.659 1.00 1.00 C ATOM 1332 O GLY A 85 -1.880 8.839 2.443 1.00 1.00 O ATOM 0 H GLY A 85 0.088 5.711 2.629 1.00 1.00 H new ATOM 0 HA2 GLY A 85 0.858 8.378 2.944 1.00 1.00 H new ATOM 0 HA3 GLY A 85 0.398 8.190 1.263 1.00 1.00 H new ATOM 1336 N VAL A 86 -1.726 6.732 3.242 1.00 1.00 N ATOM 1337 CA VAL A 86 -3.138 6.647 3.672 1.00 1.00 C ATOM 1338 C VAL A 86 -3.219 6.689 5.194 1.00 1.00 C ATOM 1339 O VAL A 86 -2.247 6.373 5.880 1.00 1.00 O ATOM 1340 CB VAL A 86 -3.747 5.337 3.155 1.00 1.00 C ATOM 1341 CG1 VAL A 86 -5.265 5.342 3.366 1.00 1.00 C ATOM 1342 CG2 VAL A 86 -3.454 5.205 1.656 1.00 1.00 C ATOM 0 H VAL A 86 -1.184 5.888 3.428 1.00 1.00 H new ATOM 0 HA VAL A 86 -3.693 7.492 3.265 1.00 1.00 H new ATOM 0 HB VAL A 86 -3.310 4.501 3.701 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -5.687 4.408 2.996 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -5.484 5.443 4.429 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -5.705 6.179 2.824 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -3.884 4.276 1.282 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -3.893 6.049 1.124 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -2.376 5.196 1.495 1.00 1.00 H new ATOM 1352 N THR A 87 -4.379 7.094 5.723 1.00 1.00 N ATOM 1353 CA THR A 87 -4.577 7.190 7.162 1.00 1.00 C ATOM 1354 C THR A 87 -4.775 5.809 7.782 1.00 1.00 C ATOM 1355 O THR A 87 -3.789 5.215 8.187 1.00 1.00 O ATOM 1356 CB THR A 87 -5.812 8.053 7.434 1.00 1.00 C ATOM 1357 OG1 THR A 87 -5.683 9.287 6.737 1.00 1.00 O ATOM 1358 CG2 THR A 87 -5.940 8.326 8.936 1.00 1.00 C ATOM 0 H THR A 87 -5.193 7.360 5.169 1.00 1.00 H new ATOM 0 HA THR A 87 -3.691 7.640 7.610 1.00 1.00 H new ATOM 0 HB THR A 87 -6.702 7.526 7.091 1.00 1.00 H new ATOM 0 HG1 THR A 87 -6.472 9.843 6.907 1.00 1.00 H new ATOM 0 HG21 THR A 87 -6.821 8.941 9.120 1.00 1.00 H new ATOM 0 HG22 THR A 87 -6.038 7.381 9.470 1.00 1.00 H new ATOM 0 HG23 THR A 87 -5.052 8.851 9.287 1.00 1.00 H new TER 1366 THR A 87