USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 795 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 Single : A 1 GLY N :NH3+ -104:sc= 0.0534 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 15:sc= 1.11 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 18 THR OG1 : rot -77:sc= -0.516 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 23 SER OG : rot 77:sc= 0.247 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.228 (180deg=-0.602) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.028) USER MOD Single : A 39 MET CE :methyl -172:sc= -0.044 (180deg=-0.198) USER MOD Single : A 42 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.98 X(o=-2,f=-1.6!) USER MOD Single : A 56 GLN : amide:sc=-0.00149 X(o=-0.0015,f=0) USER MOD Single : A 57 MET CE :methyl -105:sc= -3.02! (180deg=-6.39!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.6) USER MOD Single : A 76 MET CE :methyl 165:sc= -1.03 (180deg=-1.48) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= -2.85 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.516 K(o=-0.52,f=-2.7!) USER MOD Single : A 83 MET CE :methyl -171:sc= -0.275 (180deg=-0.392) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.108) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -159:sc= 0.566 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.227 -7.646 0.574 1.00 0.00 N ATOM 2 CA GLY A 1 -35.826 -7.537 0.941 1.00 0.00 C ATOM 3 C GLY A 1 -34.920 -7.874 -0.245 1.00 0.00 C ATOM 4 O GLY A 1 -35.309 -8.632 -1.133 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.627 -6.695 0.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.313 -8.182 -0.313 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.746 -8.140 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.615 -6.526 1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.610 -8.210 1.771 1.00 0.00 H new ATOM 8 N SER A 2 -33.729 -7.293 -0.223 1.00 0.00 N ATOM 9 CA SER A 2 -32.765 -7.522 -1.286 1.00 0.00 C ATOM 10 C SER A 2 -31.479 -6.744 -1.002 1.00 0.00 C ATOM 11 O SER A 2 -31.335 -5.599 -1.427 1.00 0.00 O ATOM 12 CB SER A 2 -33.339 -7.119 -2.646 1.00 0.00 C ATOM 13 OG SER A 2 -33.107 -8.115 -3.639 1.00 0.00 O ATOM 0 H SER A 2 -33.410 -6.664 0.514 1.00 0.00 H new ATOM 0 HA SER A 2 -32.538 -8.588 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.411 -6.945 -2.550 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.891 -6.178 -2.964 1.00 0.00 H new ATOM 0 HG SER A 2 -33.490 -7.822 -4.492 1.00 0.00 H new ATOM 19 N SER A 3 -30.576 -7.398 -0.284 1.00 0.00 N ATOM 20 CA SER A 3 -29.307 -6.782 0.062 1.00 0.00 C ATOM 21 C SER A 3 -28.280 -7.861 0.410 1.00 0.00 C ATOM 22 O SER A 3 -28.641 -8.936 0.885 1.00 0.00 O ATOM 23 CB SER A 3 -29.468 -5.806 1.229 1.00 0.00 C ATOM 24 OG SER A 3 -28.847 -4.551 0.965 1.00 0.00 O ATOM 0 H SER A 3 -30.699 -8.348 0.067 1.00 0.00 H new ATOM 0 HA SER A 3 -28.954 -6.218 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.528 -5.651 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.035 -6.243 2.129 1.00 0.00 H new ATOM 0 HG SER A 3 -28.973 -3.955 1.733 1.00 0.00 H new ATOM 30 N GLY A 4 -27.020 -7.536 0.160 1.00 0.00 N ATOM 31 CA GLY A 4 -25.938 -8.465 0.441 1.00 0.00 C ATOM 32 C GLY A 4 -24.620 -7.968 -0.157 1.00 0.00 C ATOM 33 O GLY A 4 -24.615 -7.070 -0.998 1.00 0.00 O ATOM 0 H GLY A 4 -26.724 -6.643 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.829 -8.587 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.180 -9.446 0.032 1.00 0.00 H new ATOM 37 N SER A 5 -23.534 -8.573 0.302 1.00 0.00 N ATOM 38 CA SER A 5 -22.213 -8.203 -0.177 1.00 0.00 C ATOM 39 C SER A 5 -21.206 -9.303 0.164 1.00 0.00 C ATOM 40 O SER A 5 -21.104 -9.721 1.317 1.00 0.00 O ATOM 41 CB SER A 5 -21.764 -6.869 0.421 1.00 0.00 C ATOM 42 OG SER A 5 -22.391 -5.760 -0.217 1.00 0.00 O ATOM 0 H SER A 5 -23.542 -9.317 1.000 1.00 0.00 H new ATOM 0 HA SER A 5 -22.262 -8.087 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.995 -6.853 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.682 -6.776 0.329 1.00 0.00 H new ATOM 0 HG SER A 5 -23.153 -6.075 -0.747 1.00 0.00 H new ATOM 48 N SER A 6 -20.487 -9.742 -0.859 1.00 0.00 N ATOM 49 CA SER A 6 -19.491 -10.785 -0.682 1.00 0.00 C ATOM 50 C SER A 6 -18.487 -10.752 -1.835 1.00 0.00 C ATOM 51 O SER A 6 -18.721 -11.349 -2.884 1.00 0.00 O ATOM 52 CB SER A 6 -20.149 -12.164 -0.591 1.00 0.00 C ATOM 53 OG SER A 6 -19.836 -12.825 0.632 1.00 0.00 O ATOM 0 H SER A 6 -20.575 -9.394 -1.814 1.00 0.00 H new ATOM 0 HA SER A 6 -18.965 -10.600 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.230 -12.056 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.821 -12.778 -1.429 1.00 0.00 H new ATOM 0 HG SER A 6 -20.276 -13.701 0.653 1.00 0.00 H new ATOM 59 N GLY A 7 -17.390 -10.047 -1.601 1.00 0.00 N ATOM 60 CA GLY A 7 -16.348 -9.927 -2.608 1.00 0.00 C ATOM 61 C GLY A 7 -14.960 -10.055 -1.978 1.00 0.00 C ATOM 62 O GLY A 7 -14.573 -9.235 -1.147 1.00 0.00 O ATOM 0 H GLY A 7 -17.200 -9.553 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.480 -10.699 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.435 -8.965 -3.113 1.00 0.00 H new ATOM 66 N GLU A 8 -14.248 -11.091 -2.398 1.00 0.00 N ATOM 67 CA GLU A 8 -12.911 -11.337 -1.885 1.00 0.00 C ATOM 68 C GLU A 8 -11.862 -10.779 -2.849 1.00 0.00 C ATOM 69 O GLU A 8 -12.159 -10.524 -4.015 1.00 0.00 O ATOM 70 CB GLU A 8 -12.686 -12.830 -1.635 1.00 0.00 C ATOM 71 CG GLU A 8 -13.100 -13.215 -0.213 1.00 0.00 C ATOM 72 CD GLU A 8 -12.986 -14.726 0.001 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.881 -15.162 0.390 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.006 -15.411 -0.231 1.00 0.00 O ATOM 0 H GLU A 8 -14.572 -11.769 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.809 -10.822 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.259 -13.414 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.635 -13.074 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.469 -12.693 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.126 -12.894 -0.030 1.00 0.00 H new ATOM 81 N GLY A 9 -10.657 -10.606 -2.327 1.00 0.00 N ATOM 82 CA GLY A 9 -9.562 -10.083 -3.126 1.00 0.00 C ATOM 83 C GLY A 9 -8.821 -8.971 -2.381 1.00 0.00 C ATOM 84 O GLY A 9 -9.434 -8.191 -1.654 1.00 0.00 O ATOM 0 H GLY A 9 -10.415 -10.819 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.868 -10.888 -3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.948 -9.699 -4.070 1.00 0.00 H new ATOM 88 N TYR A 10 -7.513 -8.934 -2.587 1.00 0.00 N ATOM 89 CA TYR A 10 -6.682 -7.931 -1.944 1.00 0.00 C ATOM 90 C TYR A 10 -5.848 -7.167 -2.974 1.00 0.00 C ATOM 91 O TYR A 10 -6.008 -5.958 -3.135 1.00 0.00 O ATOM 92 CB TYR A 10 -5.742 -8.696 -1.011 1.00 0.00 C ATOM 93 CG TYR A 10 -6.416 -9.219 0.260 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.312 -8.422 0.943 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.128 -10.487 0.722 1.00 0.00 C ATOM 96 CE1 TYR A 10 -7.947 -8.914 2.139 1.00 0.00 C ATOM 97 CE2 TYR A 10 -6.762 -10.979 1.918 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.640 -10.168 2.567 1.00 0.00 C ATOM 99 OH TYR A 10 -8.239 -10.632 3.696 1.00 0.00 O ATOM 0 H TYR A 10 -7.008 -9.583 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.299 -7.206 -1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.313 -9.537 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.916 -8.043 -0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.537 -7.430 0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.427 -11.110 0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.650 -8.301 2.683 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.545 -11.969 2.291 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.926 -11.542 3.882 1.00 0.00 H new ATOM 109 N GLU A 11 -4.975 -7.904 -3.646 1.00 0.00 N ATOM 110 CA GLU A 11 -4.116 -7.312 -4.656 1.00 0.00 C ATOM 111 C GLU A 11 -4.899 -6.296 -5.490 1.00 0.00 C ATOM 112 O GLU A 11 -4.516 -5.131 -5.576 1.00 0.00 O ATOM 113 CB GLU A 11 -3.493 -8.389 -5.546 1.00 0.00 C ATOM 114 CG GLU A 11 -2.513 -9.256 -4.754 1.00 0.00 C ATOM 115 CD GLU A 11 -3.086 -10.655 -4.516 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.014 -10.754 -3.684 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.585 -11.593 -5.172 1.00 0.00 O ATOM 0 H GLU A 11 -4.845 -8.906 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.303 -6.789 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.278 -9.015 -5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.975 -7.920 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.570 -9.333 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.293 -8.782 -3.798 1.00 0.00 H new ATOM 124 N GLN A 12 -5.982 -6.776 -6.084 1.00 0.00 N ATOM 125 CA GLN A 12 -6.822 -5.925 -6.908 1.00 0.00 C ATOM 126 C GLN A 12 -7.006 -4.558 -6.246 1.00 0.00 C ATOM 127 O GLN A 12 -6.542 -3.544 -6.766 1.00 0.00 O ATOM 128 CB GLN A 12 -8.174 -6.587 -7.181 1.00 0.00 C ATOM 129 CG GLN A 12 -8.897 -5.902 -8.342 1.00 0.00 C ATOM 130 CD GLN A 12 -10.411 -6.097 -8.238 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.914 -7.203 -8.133 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.106 -4.963 -8.273 1.00 0.00 N ATOM 0 H GLN A 12 -6.297 -7.743 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.325 -5.779 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.026 -7.642 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.793 -6.541 -6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.663 -4.837 -8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.539 -6.308 -9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.621 -4.070 -8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.124 -4.986 -8.210 1.00 0.00 H new ATOM 141 N ASP A 13 -7.683 -4.574 -5.107 1.00 0.00 N ATOM 142 CA ASP A 13 -7.933 -3.348 -4.368 1.00 0.00 C ATOM 143 C ASP A 13 -6.630 -2.556 -4.246 1.00 0.00 C ATOM 144 O ASP A 13 -6.497 -1.479 -4.826 1.00 0.00 O ATOM 145 CB ASP A 13 -8.437 -3.650 -2.955 1.00 0.00 C ATOM 146 CG ASP A 13 -9.956 -3.601 -2.786 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.573 -2.737 -3.446 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.467 -4.428 -2.000 1.00 0.00 O ATOM 0 H ASP A 13 -8.066 -5.416 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.690 -2.778 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.086 -4.640 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.987 -2.937 -2.265 1.00 0.00 H new ATOM 153 N PHE A 14 -5.701 -3.120 -3.489 1.00 0.00 N ATOM 154 CA PHE A 14 -4.413 -2.479 -3.284 1.00 0.00 C ATOM 155 C PHE A 14 -3.888 -1.873 -4.586 1.00 0.00 C ATOM 156 O PHE A 14 -3.623 -0.673 -4.655 1.00 0.00 O ATOM 157 CB PHE A 14 -3.443 -3.566 -2.814 1.00 0.00 C ATOM 158 CG PHE A 14 -2.002 -3.082 -2.643 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.136 -3.141 -3.691 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.586 -2.592 -1.444 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.202 -2.692 -3.532 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.248 -2.143 -1.286 1.00 0.00 C ATOM 163 CZ PHE A 14 0.617 -2.202 -2.333 1.00 0.00 C ATOM 0 H PHE A 14 -5.814 -4.013 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.510 -1.675 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.796 -3.967 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.457 -4.386 -3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.466 -3.529 -4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.273 -2.544 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.890 -2.740 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.082 -1.755 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.634 -1.860 -2.213 1.00 0.00 H new ATOM 173 N ALA A 15 -3.754 -2.729 -5.589 1.00 0.00 N ATOM 174 CA ALA A 15 -3.266 -2.292 -6.886 1.00 0.00 C ATOM 175 C ALA A 15 -3.963 -0.986 -7.275 1.00 0.00 C ATOM 176 O ALA A 15 -3.304 -0.003 -7.608 1.00 0.00 O ATOM 177 CB ALA A 15 -3.490 -3.401 -7.916 1.00 0.00 C ATOM 0 H ALA A 15 -3.975 -3.723 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.195 -2.095 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.124 -3.073 -8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.951 -4.297 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.555 -3.624 -7.985 1.00 0.00 H new ATOM 183 N VAL A 16 -5.286 -1.020 -7.219 1.00 0.00 N ATOM 184 CA VAL A 16 -6.079 0.149 -7.561 1.00 0.00 C ATOM 185 C VAL A 16 -5.652 1.325 -6.681 1.00 0.00 C ATOM 186 O VAL A 16 -5.456 2.435 -7.173 1.00 0.00 O ATOM 187 CB VAL A 16 -7.569 -0.177 -7.443 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.402 1.102 -7.327 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.038 -1.033 -8.621 1.00 0.00 C ATOM 0 H VAL A 16 -5.829 -1.838 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.905 0.439 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.715 -0.755 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.457 0.843 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.094 1.657 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.248 1.718 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.101 -1.250 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.872 -0.492 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.476 -1.967 -8.638 1.00 0.00 H new ATOM 199 N LEU A 17 -5.520 1.042 -5.393 1.00 0.00 N ATOM 200 CA LEU A 17 -5.120 2.063 -4.439 1.00 0.00 C ATOM 201 C LEU A 17 -3.766 2.640 -4.855 1.00 0.00 C ATOM 202 O LEU A 17 -3.678 3.798 -5.260 1.00 0.00 O ATOM 203 CB LEU A 17 -5.139 1.502 -3.016 1.00 0.00 C ATOM 204 CG LEU A 17 -6.486 1.555 -2.292 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.519 0.570 -1.123 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.815 2.982 -1.849 1.00 0.00 C ATOM 0 H LEU A 17 -5.683 0.120 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.832 2.888 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.809 0.464 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.408 2.049 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.263 1.249 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.487 0.628 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.362 -0.442 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.731 0.821 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.777 2.991 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.040 3.340 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.862 3.632 -2.722 1.00 0.00 H new ATOM 218 N THR A 18 -2.743 1.806 -4.741 1.00 0.00 N ATOM 219 CA THR A 18 -1.397 2.219 -5.100 1.00 0.00 C ATOM 220 C THR A 18 -1.424 3.097 -6.352 1.00 0.00 C ATOM 221 O THR A 18 -0.808 4.161 -6.383 1.00 0.00 O ATOM 222 CB THR A 18 -0.542 0.960 -5.259 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.306 0.129 -6.128 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.443 0.152 -3.963 1.00 0.00 C ATOM 0 H THR A 18 -2.819 0.846 -4.405 1.00 0.00 H new ATOM 0 HA THR A 18 -0.952 2.835 -4.319 1.00 0.00 H new ATOM 0 HB THR A 18 0.458 1.240 -5.590 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.036 -0.288 -5.624 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.174 -0.731 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.007 0.767 -3.184 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.440 -0.157 -3.650 1.00 0.00 H new ATOM 232 N ALA A 19 -2.145 2.618 -7.356 1.00 0.00 N ATOM 233 CA ALA A 19 -2.261 3.346 -8.608 1.00 0.00 C ATOM 234 C ALA A 19 -2.899 4.711 -8.342 1.00 0.00 C ATOM 235 O ALA A 19 -2.248 5.744 -8.495 1.00 0.00 O ATOM 236 CB ALA A 19 -3.063 2.513 -9.610 1.00 0.00 C ATOM 0 H ALA A 19 -2.654 1.735 -7.327 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.277 3.521 -9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.150 3.059 -10.549 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.553 1.566 -9.787 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.058 2.320 -9.209 1.00 0.00 H new ATOM 242 N GLU A 20 -4.163 4.672 -7.949 1.00 0.00 N ATOM 243 CA GLU A 20 -4.895 5.893 -7.660 1.00 0.00 C ATOM 244 C GLU A 20 -4.047 6.829 -6.797 1.00 0.00 C ATOM 245 O GLU A 20 -4.117 8.049 -6.944 1.00 0.00 O ATOM 246 CB GLU A 20 -6.232 5.584 -6.983 1.00 0.00 C ATOM 247 CG GLU A 20 -7.355 6.442 -7.569 1.00 0.00 C ATOM 248 CD GLU A 20 -7.766 5.936 -8.953 1.00 0.00 C ATOM 249 OE1 GLU A 20 -6.847 5.587 -9.726 1.00 0.00 O ATOM 250 OE2 GLU A 20 -8.990 5.908 -9.208 1.00 0.00 O ATOM 0 H GLU A 20 -4.699 3.814 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.110 6.396 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.472 4.528 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.152 5.766 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.216 6.426 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.026 7.479 -7.640 1.00 0.00 H new ATOM 257 N ILE A 21 -3.265 6.224 -5.916 1.00 0.00 N ATOM 258 CA ILE A 21 -2.404 6.988 -5.030 1.00 0.00 C ATOM 259 C ILE A 21 -1.262 7.605 -5.841 1.00 0.00 C ATOM 260 O ILE A 21 -1.153 8.826 -5.936 1.00 0.00 O ATOM 261 CB ILE A 21 -1.929 6.119 -3.863 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.094 5.758 -2.939 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.785 6.796 -3.105 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.667 4.724 -1.896 1.00 0.00 C ATOM 0 H ILE A 21 -3.210 5.213 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.957 7.812 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.538 5.186 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.457 6.656 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.922 5.364 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.466 6.158 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.053 6.960 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.126 7.753 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.514 4.485 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.327 3.819 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.855 5.130 -1.292 1.00 0.00 H new ATOM 276 N THR A 22 -0.441 6.731 -6.406 1.00 0.00 N ATOM 277 CA THR A 22 0.688 7.175 -7.206 1.00 0.00 C ATOM 278 C THR A 22 0.294 8.380 -8.062 1.00 0.00 C ATOM 279 O THR A 22 0.992 9.393 -8.073 1.00 0.00 O ATOM 280 CB THR A 22 1.183 5.982 -8.026 1.00 0.00 C ATOM 281 OG1 THR A 22 2.519 5.781 -7.574 1.00 0.00 O ATOM 282 CG2 THR A 22 1.338 6.317 -9.511 1.00 0.00 C ATOM 0 H THR A 22 -0.535 5.719 -6.326 1.00 0.00 H new ATOM 0 HA THR A 22 1.509 7.519 -6.577 1.00 0.00 H new ATOM 0 HB THR A 22 0.489 5.150 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.916 5.024 -8.053 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.692 5.437 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.375 6.627 -9.917 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.058 7.127 -9.628 1.00 0.00 H new ATOM 290 N SER A 23 -0.823 8.231 -8.759 1.00 0.00 N ATOM 291 CA SER A 23 -1.318 9.294 -9.616 1.00 0.00 C ATOM 292 C SER A 23 -1.505 10.577 -8.804 1.00 0.00 C ATOM 293 O SER A 23 -0.958 11.622 -9.153 1.00 0.00 O ATOM 294 CB SER A 23 -2.634 8.894 -10.286 1.00 0.00 C ATOM 295 OG SER A 23 -2.548 7.616 -10.911 1.00 0.00 O ATOM 0 H SER A 23 -1.399 7.389 -8.747 1.00 0.00 H new ATOM 0 HA SER A 23 -0.582 9.472 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.430 8.881 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.905 9.644 -11.029 1.00 0.00 H new ATOM 0 HG SER A 23 -2.591 6.914 -10.228 1.00 0.00 H new ATOM 301 N LYS A 24 -2.279 10.456 -7.736 1.00 0.00 N ATOM 302 CA LYS A 24 -2.544 11.593 -6.871 1.00 0.00 C ATOM 303 C LYS A 24 -1.218 12.172 -6.376 1.00 0.00 C ATOM 304 O LYS A 24 -1.087 13.385 -6.218 1.00 0.00 O ATOM 305 CB LYS A 24 -3.501 11.197 -5.744 1.00 0.00 C ATOM 306 CG LYS A 24 -4.911 10.948 -6.284 1.00 0.00 C ATOM 307 CD LYS A 24 -5.733 10.110 -5.303 1.00 0.00 C ATOM 308 CE LYS A 24 -7.174 9.949 -5.793 1.00 0.00 C ATOM 309 NZ LYS A 24 -8.100 9.819 -4.646 1.00 0.00 N ATOM 0 H LYS A 24 -2.731 9.588 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.050 12.383 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.133 10.298 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.530 11.986 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.410 11.901 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.851 10.436 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.274 9.129 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.730 10.585 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.456 10.809 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.251 9.069 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.073 9.711 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.840 8.984 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.039 10.670 -4.052 1.00 0.00 H new ATOM 323 N ILE A 25 -0.267 11.279 -6.146 1.00 0.00 N ATOM 324 CA ILE A 25 1.044 11.686 -5.672 1.00 0.00 C ATOM 325 C ILE A 25 1.718 12.556 -6.736 1.00 0.00 C ATOM 326 O ILE A 25 2.449 13.490 -6.407 1.00 0.00 O ATOM 327 CB ILE A 25 1.870 10.465 -5.264 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.359 9.872 -3.949 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.360 10.807 -5.197 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.010 8.516 -3.669 1.00 0.00 C ATOM 0 H ILE A 25 -0.379 10.274 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 25 0.952 12.294 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 25 1.750 9.700 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.573 10.558 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.276 9.757 -3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.924 9.921 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.700 11.147 -6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.519 11.597 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.629 8.117 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.774 7.825 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.091 8.639 -3.600 1.00 0.00 H new ATOM 342 N ALA A 26 1.448 12.219 -7.988 1.00 0.00 N ATOM 343 CA ALA A 26 2.019 12.958 -9.102 1.00 0.00 C ATOM 344 C ALA A 26 1.209 14.236 -9.329 1.00 0.00 C ATOM 345 O ALA A 26 1.638 15.124 -10.063 1.00 0.00 O ATOM 346 CB ALA A 26 2.057 12.063 -10.342 1.00 0.00 C ATOM 0 H ALA A 26 0.841 11.444 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 26 3.045 13.253 -8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.485 12.617 -11.178 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.669 11.184 -10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.044 11.749 -10.595 1.00 0.00 H new ATOM 352 N ARG A 27 0.053 14.288 -8.685 1.00 0.00 N ATOM 353 CA ARG A 27 -0.821 15.442 -8.808 1.00 0.00 C ATOM 354 C ARG A 27 -0.592 16.407 -7.643 1.00 0.00 C ATOM 355 O ARG A 27 -0.931 17.586 -7.733 1.00 0.00 O ATOM 356 CB ARG A 27 -2.292 15.020 -8.829 1.00 0.00 C ATOM 357 CG ARG A 27 -2.869 15.117 -10.243 1.00 0.00 C ATOM 358 CD ARG A 27 -4.289 15.686 -10.217 1.00 0.00 C ATOM 359 NE ARG A 27 -5.070 15.149 -11.353 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.612 13.924 -11.380 1.00 0.00 C ATOM 361 NH1 ARG A 27 -5.461 13.102 -10.333 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.305 13.521 -12.454 1.00 0.00 N ATOM 0 H ARG A 27 -0.299 13.549 -8.076 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.584 15.939 -9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.386 13.998 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.866 15.654 -8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.230 15.751 -10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.877 14.130 -10.705 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.776 15.428 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.255 16.774 -10.271 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.204 15.749 -12.167 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.934 13.409 -9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.873 12.169 -10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.420 14.147 -13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.717 12.588 -12.474 1.00 0.00 H new ATOM 376 N VAL A 28 -0.017 15.872 -6.576 1.00 0.00 N ATOM 377 CA VAL A 28 0.262 16.671 -5.395 1.00 0.00 C ATOM 378 C VAL A 28 1.031 17.928 -5.806 1.00 0.00 C ATOM 379 O VAL A 28 0.653 19.039 -5.437 1.00 0.00 O ATOM 380 CB VAL A 28 1.005 15.828 -4.357 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.148 16.623 -3.722 1.00 0.00 C ATOM 382 CG2 VAL A 28 0.044 15.302 -3.289 1.00 0.00 C ATOM 0 H VAL A 28 0.264 14.894 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.666 16.997 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 28 1.438 14.970 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.660 16.001 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.854 16.927 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.746 17.509 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.597 14.706 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.431 16.142 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.720 14.683 -3.760 1.00 0.00 H new ATOM 392 N PRO A 29 2.124 17.706 -6.584 1.00 0.00 N ATOM 393 CA PRO A 29 2.949 18.808 -7.048 1.00 0.00 C ATOM 394 C PRO A 29 2.257 19.572 -8.179 1.00 0.00 C ATOM 395 O PRO A 29 2.814 20.527 -8.719 1.00 0.00 O ATOM 396 CB PRO A 29 4.257 18.165 -7.479 1.00 0.00 C ATOM 397 CG PRO A 29 3.952 16.689 -7.677 1.00 0.00 C ATOM 398 CD PRO A 29 2.601 16.404 -7.040 1.00 0.00 C ATOM 0 HA PRO A 29 3.124 19.557 -6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.628 18.614 -8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.029 18.306 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.934 16.442 -8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.727 16.074 -7.220 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.911 15.959 -7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.694 15.704 -6.210 1.00 0.00 H new ATOM 406 N ARG A 30 1.054 19.123 -8.504 1.00 0.00 N ATOM 407 CA ARG A 30 0.280 19.752 -9.561 1.00 0.00 C ATOM 408 C ARG A 30 -1.097 20.164 -9.037 1.00 0.00 C ATOM 409 O ARG A 30 -2.011 20.422 -9.819 1.00 0.00 O ATOM 410 CB ARG A 30 0.104 18.808 -10.751 1.00 0.00 C ATOM 411 CG ARG A 30 1.434 18.581 -11.473 1.00 0.00 C ATOM 412 CD ARG A 30 1.306 17.475 -12.522 1.00 0.00 C ATOM 413 NE ARG A 30 0.774 18.034 -13.785 1.00 0.00 N ATOM 414 CZ ARG A 30 1.458 18.859 -14.589 1.00 0.00 C ATOM 415 NH1 ARG A 30 2.705 19.226 -14.267 1.00 0.00 N ATOM 416 NH2 ARG A 30 0.894 19.317 -15.715 1.00 0.00 N ATOM 0 H ARG A 30 0.596 18.331 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 30 0.826 20.636 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.294 17.854 -10.407 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.625 19.225 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.754 19.506 -11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.204 18.313 -10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.279 17.016 -12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.645 16.690 -12.155 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.173 17.775 -14.061 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.134 18.877 -13.410 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.226 19.854 -14.879 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.056 19.038 -15.960 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.415 19.945 -16.327 1.00 0.00 H new ATOM 430 N LEU A 31 -1.202 20.214 -7.717 1.00 0.00 N ATOM 431 CA LEU A 31 -2.452 20.590 -7.080 1.00 0.00 C ATOM 432 C LEU A 31 -2.246 21.880 -6.283 1.00 0.00 C ATOM 433 O LEU A 31 -1.122 22.205 -5.902 1.00 0.00 O ATOM 434 CB LEU A 31 -2.997 19.431 -6.243 1.00 0.00 C ATOM 435 CG LEU A 31 -3.709 18.321 -7.018 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.910 17.083 -6.142 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.027 18.824 -7.611 1.00 0.00 C ATOM 0 H LEU A 31 -0.442 20.000 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.214 20.797 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.169 18.987 -5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.691 19.836 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.073 18.025 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.418 16.309 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.941 16.711 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.514 17.346 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.513 18.015 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.681 19.164 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.827 19.652 -8.291 1.00 0.00 H new ATOM 449 N PRO A 32 -3.376 22.598 -6.048 1.00 0.00 N ATOM 450 CA PRO A 32 -3.330 23.845 -5.304 1.00 0.00 C ATOM 451 C PRO A 32 -3.144 23.584 -3.808 1.00 0.00 C ATOM 452 O PRO A 32 -3.250 22.445 -3.355 1.00 0.00 O ATOM 453 CB PRO A 32 -4.641 24.544 -5.626 1.00 0.00 C ATOM 454 CG PRO A 32 -5.568 23.466 -6.162 1.00 0.00 C ATOM 455 CD PRO A 32 -4.724 22.243 -6.484 1.00 0.00 C ATOM 0 HA PRO A 32 -2.482 24.470 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.062 25.014 -4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.492 25.333 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.332 23.219 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.087 23.817 -7.054 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.090 21.360 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.748 22.014 -7.549 1.00 0.00 H new ATOM 463 N PRO A 33 -2.863 24.686 -3.062 1.00 0.00 N ATOM 464 CA PRO A 33 -2.661 24.587 -1.627 1.00 0.00 C ATOM 465 C PRO A 33 -3.992 24.392 -0.898 1.00 0.00 C ATOM 466 O PRO A 33 -4.025 24.307 0.328 1.00 0.00 O ATOM 467 CB PRO A 33 -1.955 25.876 -1.239 1.00 0.00 C ATOM 468 CG PRO A 33 -2.203 26.847 -2.383 1.00 0.00 C ATOM 469 CD PRO A 33 -2.730 26.050 -3.565 1.00 0.00 C ATOM 0 HA PRO A 33 -2.063 23.720 -1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.347 26.269 -0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.888 25.708 -1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.922 27.611 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.282 27.364 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.688 26.440 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.044 26.095 -4.411 1.00 0.00 H new ATOM 477 N ASP A 34 -5.056 24.327 -1.684 1.00 0.00 N ATOM 478 CA ASP A 34 -6.386 24.143 -1.129 1.00 0.00 C ATOM 479 C ASP A 34 -6.799 22.677 -1.278 1.00 0.00 C ATOM 480 O ASP A 34 -7.528 22.145 -0.443 1.00 0.00 O ATOM 481 CB ASP A 34 -7.415 25.001 -1.869 1.00 0.00 C ATOM 482 CG ASP A 34 -7.754 26.331 -1.192 1.00 0.00 C ATOM 483 OD1 ASP A 34 -6.796 27.073 -0.888 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.964 26.575 -0.995 1.00 0.00 O ATOM 0 H ASP A 34 -5.024 24.398 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.357 24.438 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.041 25.206 -2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.333 24.424 -1.983 1.00 0.00 H new ATOM 489 N GLU A 35 -6.314 22.065 -2.349 1.00 0.00 N ATOM 490 CA GLU A 35 -6.622 20.671 -2.618 1.00 0.00 C ATOM 491 C GLU A 35 -5.422 19.786 -2.277 1.00 0.00 C ATOM 492 O GLU A 35 -5.576 18.589 -2.040 1.00 0.00 O ATOM 493 CB GLU A 35 -7.051 20.476 -4.074 1.00 0.00 C ATOM 494 CG GLU A 35 -8.576 20.480 -4.201 1.00 0.00 C ATOM 495 CD GLU A 35 -9.123 19.054 -4.294 1.00 0.00 C ATOM 496 OE1 GLU A 35 -8.990 18.329 -3.285 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.660 18.721 -5.373 1.00 0.00 O ATOM 0 H GLU A 35 -5.710 22.509 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.458 20.375 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.629 21.270 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.653 19.534 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.015 20.986 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.869 21.044 -5.086 1.00 0.00 H new ATOM 504 N LYS A 36 -4.253 20.409 -2.264 1.00 0.00 N ATOM 505 CA LYS A 36 -3.027 19.693 -1.955 1.00 0.00 C ATOM 506 C LYS A 36 -3.049 19.261 -0.488 1.00 0.00 C ATOM 507 O LYS A 36 -2.954 18.072 -0.186 1.00 0.00 O ATOM 508 CB LYS A 36 -1.806 20.535 -2.330 1.00 0.00 C ATOM 509 CG LYS A 36 -0.507 19.801 -1.988 1.00 0.00 C ATOM 510 CD LYS A 36 0.709 20.563 -2.517 1.00 0.00 C ATOM 511 CE LYS A 36 2.010 19.942 -2.006 1.00 0.00 C ATOM 512 NZ LYS A 36 3.076 20.057 -3.027 1.00 0.00 N ATOM 0 H LYS A 36 -4.129 21.402 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.955 18.785 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.830 20.762 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.840 21.487 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.425 19.684 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.528 18.799 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.702 20.555 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.653 21.606 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.322 20.441 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.847 18.893 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.004 20.090 -2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.038 19.235 -3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.936 20.927 -3.579 1.00 0.00 H new ATOM 526 N LYS A 37 -3.174 20.249 0.385 1.00 0.00 N ATOM 527 CA LYS A 37 -3.210 19.986 1.814 1.00 0.00 C ATOM 528 C LYS A 37 -4.030 18.721 2.074 1.00 0.00 C ATOM 529 O LYS A 37 -3.552 17.791 2.723 1.00 0.00 O ATOM 530 CB LYS A 37 -3.717 21.214 2.572 1.00 0.00 C ATOM 531 CG LYS A 37 -2.724 21.638 3.656 1.00 0.00 C ATOM 532 CD LYS A 37 -2.720 23.158 3.832 1.00 0.00 C ATOM 533 CE LYS A 37 -2.743 23.538 5.314 1.00 0.00 C ATOM 534 NZ LYS A 37 -1.376 23.500 5.879 1.00 0.00 N ATOM 0 H LYS A 37 -3.252 21.234 0.131 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.205 19.799 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.873 22.037 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.683 20.993 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.985 21.160 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.723 21.296 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.834 23.580 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.586 23.588 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.165 24.536 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.389 22.852 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.409 23.760 6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.987 22.540 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.770 24.173 5.367 1.00 0.00 H new ATOM 548 N GLN A 38 -5.249 18.726 1.556 1.00 0.00 N ATOM 549 CA GLN A 38 -6.139 17.590 1.724 1.00 0.00 C ATOM 550 C GLN A 38 -5.588 16.369 0.984 1.00 0.00 C ATOM 551 O GLN A 38 -5.548 15.271 1.536 1.00 0.00 O ATOM 552 CB GLN A 38 -7.554 17.927 1.249 1.00 0.00 C ATOM 553 CG GLN A 38 -8.071 19.198 1.926 1.00 0.00 C ATOM 554 CD GLN A 38 -8.381 18.945 3.403 1.00 0.00 C ATOM 555 OE1 GLN A 38 -9.450 18.485 3.770 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.389 19.271 4.227 1.00 0.00 N ATOM 0 H GLN A 38 -5.642 19.499 1.019 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.195 17.351 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.556 18.060 0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.223 17.095 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.327 19.990 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.970 19.546 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.520 19.652 3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.498 19.140 5.233 1.00 0.00 H new ATOM 565 N MET A 39 -5.177 16.604 -0.253 1.00 0.00 N ATOM 566 CA MET A 39 -4.630 15.537 -1.075 1.00 0.00 C ATOM 567 C MET A 39 -3.471 14.836 -0.363 1.00 0.00 C ATOM 568 O MET A 39 -3.448 13.611 -0.264 1.00 0.00 O ATOM 569 CB MET A 39 -4.139 16.116 -2.403 1.00 0.00 C ATOM 570 CG MET A 39 -3.551 15.020 -3.295 1.00 0.00 C ATOM 571 SD MET A 39 -4.730 13.694 -3.490 1.00 0.00 S ATOM 572 CE MET A 39 -5.587 14.255 -4.952 1.00 0.00 C ATOM 0 H MET A 39 -5.212 17.517 -0.706 1.00 0.00 H new ATOM 0 HA MET A 39 -5.416 14.804 -1.257 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.966 16.605 -2.918 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.385 16.880 -2.214 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.291 15.433 -4.270 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.630 14.637 -2.856 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.452 13.617 -5.134 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.919 15.283 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.914 14.208 -5.808 1.00 0.00 H new ATOM 582 N VAL A 40 -2.536 15.645 0.114 1.00 0.00 N ATOM 583 CA VAL A 40 -1.376 15.118 0.813 1.00 0.00 C ATOM 584 C VAL A 40 -1.843 14.262 1.992 1.00 0.00 C ATOM 585 O VAL A 40 -1.089 13.431 2.497 1.00 0.00 O ATOM 586 CB VAL A 40 -0.454 16.264 1.235 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.590 15.785 2.245 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.216 16.905 0.017 1.00 0.00 C ATOM 0 H VAL A 40 -2.558 16.661 0.030 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.792 14.475 0.154 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.066 17.024 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.232 16.619 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.088 15.397 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.195 14.997 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.866 17.717 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.808 16.156 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.548 17.300 -0.653 1.00 0.00 H new ATOM 598 N ALA A 41 -3.083 14.494 2.396 1.00 0.00 N ATOM 599 CA ALA A 41 -3.659 13.754 3.506 1.00 0.00 C ATOM 600 C ALA A 41 -4.471 12.577 2.962 1.00 0.00 C ATOM 601 O ALA A 41 -4.452 11.488 3.534 1.00 0.00 O ATOM 602 CB ALA A 41 -4.503 14.697 4.366 1.00 0.00 C ATOM 0 H ALA A 41 -3.705 15.184 1.975 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.874 13.347 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.935 14.142 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.873 15.499 4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.303 15.124 3.761 1.00 0.00 H new ATOM 608 N ASN A 42 -5.166 12.836 1.864 1.00 0.00 N ATOM 609 CA ASN A 42 -5.983 11.812 1.237 1.00 0.00 C ATOM 610 C ASN A 42 -5.104 10.613 0.876 1.00 0.00 C ATOM 611 O ASN A 42 -5.557 9.471 0.919 1.00 0.00 O ATOM 612 CB ASN A 42 -6.625 12.332 -0.051 1.00 0.00 C ATOM 613 CG ASN A 42 -8.051 11.799 -0.208 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.745 11.517 0.755 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.447 11.677 -1.471 1.00 0.00 N ATOM 0 H ASN A 42 -5.180 13.741 1.393 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.765 11.527 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.640 13.422 -0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.024 12.030 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.383 11.329 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.815 11.931 -2.230 1.00 0.00 H new ATOM 622 N VAL A 43 -3.861 10.915 0.529 1.00 0.00 N ATOM 623 CA VAL A 43 -2.914 9.876 0.161 1.00 0.00 C ATOM 624 C VAL A 43 -2.431 9.161 1.425 1.00 0.00 C ATOM 625 O VAL A 43 -2.126 7.971 1.390 1.00 0.00 O ATOM 626 CB VAL A 43 -1.770 10.478 -0.659 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.569 9.531 -0.700 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.237 10.833 -2.072 1.00 0.00 C ATOM 0 H VAL A 43 -3.488 11.864 0.495 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.393 9.129 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.454 11.399 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.230 9.982 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.214 9.349 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.866 8.586 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.406 11.259 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.592 9.933 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.047 11.560 -2.016 1.00 0.00 H new ATOM 638 N GLU A 44 -2.378 9.919 2.511 1.00 0.00 N ATOM 639 CA GLU A 44 -1.938 9.372 3.783 1.00 0.00 C ATOM 640 C GLU A 44 -2.886 8.261 4.240 1.00 0.00 C ATOM 641 O GLU A 44 -2.463 7.308 4.892 1.00 0.00 O ATOM 642 CB GLU A 44 -1.829 10.470 4.843 1.00 0.00 C ATOM 643 CG GLU A 44 -0.576 11.320 4.624 1.00 0.00 C ATOM 644 CD GLU A 44 0.281 11.371 5.891 1.00 0.00 C ATOM 645 OE1 GLU A 44 1.050 10.407 6.094 1.00 0.00 O ATOM 646 OE2 GLU A 44 0.147 12.372 6.627 1.00 0.00 O ATOM 0 H GLU A 44 -2.632 10.906 2.536 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.945 8.943 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.714 11.105 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.799 10.021 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.009 10.907 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.864 12.331 4.335 1.00 0.00 H new ATOM 653 N LYS A 45 -4.152 8.422 3.881 1.00 0.00 N ATOM 654 CA LYS A 45 -5.163 7.445 4.246 1.00 0.00 C ATOM 655 C LYS A 45 -5.068 6.243 3.305 1.00 0.00 C ATOM 656 O LYS A 45 -4.832 5.120 3.748 1.00 0.00 O ATOM 657 CB LYS A 45 -6.548 8.094 4.276 1.00 0.00 C ATOM 658 CG LYS A 45 -7.219 7.891 5.637 1.00 0.00 C ATOM 659 CD LYS A 45 -6.475 8.656 6.734 1.00 0.00 C ATOM 660 CE LYS A 45 -7.081 8.369 8.109 1.00 0.00 C ATOM 661 NZ LYS A 45 -8.188 9.309 8.394 1.00 0.00 N ATOM 0 H LYS A 45 -4.500 9.215 3.341 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.987 7.074 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.459 9.160 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.172 7.665 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.254 8.230 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.242 6.829 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.422 8.373 6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.518 9.726 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.449 7.344 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.313 8.459 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.588 9.100 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.827 10.284 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.928 9.204 7.671 1.00 0.00 H new ATOM 675 N GLN A 46 -5.256 6.519 2.022 1.00 0.00 N ATOM 676 CA GLN A 46 -5.194 5.474 1.015 1.00 0.00 C ATOM 677 C GLN A 46 -3.900 4.670 1.162 1.00 0.00 C ATOM 678 O GLN A 46 -3.853 3.493 0.810 1.00 0.00 O ATOM 679 CB GLN A 46 -5.317 6.061 -0.393 1.00 0.00 C ATOM 680 CG GLN A 46 -6.784 6.253 -0.780 1.00 0.00 C ATOM 681 CD GLN A 46 -7.590 6.827 0.387 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.579 8.017 0.657 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.286 5.918 1.063 1.00 0.00 N ATOM 0 H GLN A 46 -5.451 7.451 1.658 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.037 4.800 1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.797 7.018 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.831 5.400 -1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.853 6.922 -1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.211 5.298 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.251 4.938 0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.855 6.201 1.861 1.00 0.00 H new ATOM 692 N LEU A 47 -2.882 5.338 1.684 1.00 0.00 N ATOM 693 CA LEU A 47 -1.592 4.701 1.883 1.00 0.00 C ATOM 694 C LEU A 47 -1.695 3.697 3.032 1.00 0.00 C ATOM 695 O LEU A 47 -1.525 2.496 2.829 1.00 0.00 O ATOM 696 CB LEU A 47 -0.499 5.754 2.082 1.00 0.00 C ATOM 697 CG LEU A 47 0.141 6.306 0.807 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.054 7.493 1.121 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.876 5.204 0.041 1.00 0.00 C ATOM 0 H LEU A 47 -2.925 6.315 1.975 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.304 4.140 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.923 6.587 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.287 5.321 2.701 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.653 6.674 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.496 7.866 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.472 8.286 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.846 7.174 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.322 5.623 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.660 4.783 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.171 4.419 -0.234 1.00 0.00 H new ATOM 711 N GLU A 48 -1.973 4.226 4.215 1.00 0.00 N ATOM 712 CA GLU A 48 -2.101 3.391 5.397 1.00 0.00 C ATOM 713 C GLU A 48 -3.127 2.281 5.154 1.00 0.00 C ATOM 714 O GLU A 48 -2.980 1.173 5.668 1.00 0.00 O ATOM 715 CB GLU A 48 -2.478 4.227 6.621 1.00 0.00 C ATOM 716 CG GLU A 48 -3.949 4.643 6.570 1.00 0.00 C ATOM 717 CD GLU A 48 -4.407 5.209 7.916 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.891 6.287 8.283 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.261 4.550 8.547 1.00 0.00 O ATOM 0 H GLU A 48 -2.113 5.223 4.380 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.134 2.929 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.290 3.654 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.847 5.115 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.092 5.391 5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.565 3.783 6.305 1.00 0.00 H new ATOM 726 N GLU A 49 -4.141 2.618 4.372 1.00 0.00 N ATOM 727 CA GLU A 49 -5.191 1.664 4.056 1.00 0.00 C ATOM 728 C GLU A 49 -4.623 0.501 3.240 1.00 0.00 C ATOM 729 O GLU A 49 -5.146 -0.611 3.290 1.00 0.00 O ATOM 730 CB GLU A 49 -6.343 2.344 3.313 1.00 0.00 C ATOM 731 CG GLU A 49 -7.039 3.374 4.205 1.00 0.00 C ATOM 732 CD GLU A 49 -8.534 3.073 4.328 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.885 2.319 5.262 1.00 0.00 O ATOM 734 OE2 GLU A 49 -9.291 3.602 3.486 1.00 0.00 O ATOM 0 H GLU A 49 -4.258 3.538 3.948 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.588 1.267 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.964 2.832 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.064 1.594 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.581 3.372 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.898 4.373 3.791 1.00 0.00 H new ATOM 741 N ALA A 50 -3.559 0.798 2.507 1.00 0.00 N ATOM 742 CA ALA A 50 -2.914 -0.209 1.682 1.00 0.00 C ATOM 743 C ALA A 50 -1.793 -0.876 2.481 1.00 0.00 C ATOM 744 O ALA A 50 -1.422 -2.015 2.206 1.00 0.00 O ATOM 745 CB ALA A 50 -2.406 0.437 0.392 1.00 0.00 C ATOM 0 H ALA A 50 -3.128 1.722 2.468 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.624 -0.986 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.922 -0.318 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.245 0.870 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.689 1.221 0.636 1.00 0.00 H new ATOM 751 N ARG A 51 -1.284 -0.136 3.456 1.00 0.00 N ATOM 752 CA ARG A 51 -0.213 -0.641 4.298 1.00 0.00 C ATOM 753 C ARG A 51 -0.645 -1.937 4.987 1.00 0.00 C ATOM 754 O ARG A 51 0.120 -2.899 5.044 1.00 0.00 O ATOM 755 CB ARG A 51 0.184 0.385 5.360 1.00 0.00 C ATOM 756 CG ARG A 51 1.129 1.439 4.779 1.00 0.00 C ATOM 757 CD ARG A 51 2.382 1.588 5.644 1.00 0.00 C ATOM 758 NE ARG A 51 3.449 0.690 5.148 1.00 0.00 N ATOM 759 CZ ARG A 51 4.584 0.433 5.812 1.00 0.00 C ATOM 760 NH1 ARG A 51 4.807 1.005 7.003 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.496 -0.395 5.285 1.00 0.00 N ATOM 0 H ARG A 51 -1.594 0.809 3.681 1.00 0.00 H new ATOM 0 HA ARG A 51 0.648 -0.835 3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.709 0.870 5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.667 -0.120 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.414 1.158 3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.613 2.397 4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.727 2.622 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.148 1.350 6.682 1.00 0.00 H new ATOM 0 HE ARG A 51 3.312 0.238 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.113 1.636 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.671 0.810 7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.326 -0.830 4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.360 -0.590 5.791 1.00 0.00 H new ATOM 775 N GLU A 52 -1.870 -1.921 5.492 1.00 0.00 N ATOM 776 CA GLU A 52 -2.413 -3.083 6.175 1.00 0.00 C ATOM 777 C GLU A 52 -2.533 -4.260 5.205 1.00 0.00 C ATOM 778 O GLU A 52 -2.334 -5.411 5.592 1.00 0.00 O ATOM 779 CB GLU A 52 -3.764 -2.761 6.816 1.00 0.00 C ATOM 780 CG GLU A 52 -4.858 -2.631 5.754 1.00 0.00 C ATOM 781 CD GLU A 52 -6.240 -2.528 6.401 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.810 -3.600 6.697 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.696 -1.379 6.586 1.00 0.00 O ATOM 0 H GLU A 52 -2.502 -1.122 5.442 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.727 -3.364 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.031 -3.546 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.690 -1.833 7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.672 -1.749 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.828 -3.493 5.088 1.00 0.00 H new ATOM 790 N LEU A 53 -2.858 -3.932 3.963 1.00 0.00 N ATOM 791 CA LEU A 53 -3.008 -4.948 2.935 1.00 0.00 C ATOM 792 C LEU A 53 -1.729 -5.785 2.862 1.00 0.00 C ATOM 793 O LEU A 53 -1.759 -6.992 3.092 1.00 0.00 O ATOM 794 CB LEU A 53 -3.402 -4.308 1.603 1.00 0.00 C ATOM 795 CG LEU A 53 -4.872 -4.443 1.203 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.388 -3.151 0.566 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.084 -5.655 0.293 1.00 0.00 C ATOM 0 H LEU A 53 -3.022 -2.977 3.645 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.821 -5.629 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.153 -3.248 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.790 -4.748 0.816 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.457 -4.613 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.436 -3.274 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.294 -2.331 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.803 -2.926 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.138 -5.728 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.485 -5.541 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.780 -6.561 0.817 1.00 0.00 H new ATOM 809 N LEU A 54 -0.636 -5.109 2.539 1.00 0.00 N ATOM 810 CA LEU A 54 0.651 -5.775 2.432 1.00 0.00 C ATOM 811 C LEU A 54 0.862 -6.669 3.656 1.00 0.00 C ATOM 812 O LEU A 54 1.505 -7.713 3.563 1.00 0.00 O ATOM 813 CB LEU A 54 1.768 -4.751 2.219 1.00 0.00 C ATOM 814 CG LEU A 54 1.722 -3.972 0.903 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.133 -3.683 0.387 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.870 -4.703 -0.137 1.00 0.00 C ATOM 0 H LEU A 54 -0.615 -4.107 2.348 1.00 0.00 H new ATOM 0 HA LEU A 54 0.672 -6.423 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.741 -4.037 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.725 -5.269 2.278 1.00 0.00 H new ATOM 0 HG LEU A 54 1.245 -3.010 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.072 -3.128 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.676 -3.091 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.658 -4.623 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.854 -4.128 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.296 -5.688 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.147 -4.814 0.239 1.00 0.00 H new ATOM 828 N GLU A 55 0.307 -6.226 4.774 1.00 0.00 N ATOM 829 CA GLU A 55 0.426 -6.973 6.015 1.00 0.00 C ATOM 830 C GLU A 55 -0.473 -8.211 5.978 1.00 0.00 C ATOM 831 O GLU A 55 -0.041 -9.307 6.331 1.00 0.00 O ATOM 832 CB GLU A 55 0.094 -6.091 7.220 1.00 0.00 C ATOM 833 CG GLU A 55 1.364 -5.491 7.827 1.00 0.00 C ATOM 834 CD GLU A 55 1.108 -4.990 9.250 1.00 0.00 C ATOM 835 OE1 GLU A 55 0.165 -4.185 9.407 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.862 -5.424 10.148 1.00 0.00 O ATOM 0 H GLU A 55 -0.226 -5.360 4.847 1.00 0.00 H new ATOM 0 HA GLU A 55 1.460 -7.302 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.580 -5.291 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.430 -6.680 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.155 -6.241 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.714 -4.667 7.205 1.00 0.00 H new ATOM 843 N GLN A 56 -1.707 -7.993 5.547 1.00 0.00 N ATOM 844 CA GLN A 56 -2.671 -9.078 5.459 1.00 0.00 C ATOM 845 C GLN A 56 -2.272 -10.053 4.349 1.00 0.00 C ATOM 846 O GLN A 56 -2.319 -11.267 4.540 1.00 0.00 O ATOM 847 CB GLN A 56 -4.084 -8.538 5.233 1.00 0.00 C ATOM 848 CG GLN A 56 -4.615 -7.846 6.490 1.00 0.00 C ATOM 849 CD GLN A 56 -5.278 -8.853 7.432 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.357 -9.361 7.179 1.00 0.00 O ATOM 851 NE2 GLN A 56 -4.573 -9.110 8.531 1.00 0.00 N ATOM 0 H GLN A 56 -2.062 -7.082 5.255 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.671 -9.617 6.406 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.079 -7.834 4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.749 -9.355 4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.797 -7.344 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.335 -7.077 6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.675 -8.649 8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.930 -9.768 9.224 1.00 0.00 H new ATOM 860 N MET A 57 -1.890 -9.485 3.215 1.00 0.00 N ATOM 861 CA MET A 57 -1.484 -10.289 2.075 1.00 0.00 C ATOM 862 C MET A 57 -0.278 -11.164 2.423 1.00 0.00 C ATOM 863 O MET A 57 -0.218 -12.328 2.031 1.00 0.00 O ATOM 864 CB MET A 57 -1.128 -9.371 0.904 1.00 0.00 C ATOM 865 CG MET A 57 -2.360 -8.612 0.408 1.00 0.00 C ATOM 866 SD MET A 57 -2.130 -8.116 -1.291 1.00 0.00 S ATOM 867 CE MET A 57 -1.472 -6.474 -1.048 1.00 0.00 C ATOM 0 H MET A 57 -1.853 -8.477 3.061 1.00 0.00 H new ATOM 0 HA MET A 57 -2.314 -10.940 1.799 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.360 -8.662 1.213 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.708 -9.961 0.090 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.245 -9.243 0.495 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.532 -7.734 1.031 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.241 -5.736 -1.278 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.157 -6.358 -0.011 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.616 -6.324 -1.706 1.00 0.00 H new ATOM 877 N ASP A 58 0.652 -10.570 3.156 1.00 0.00 N ATOM 878 CA ASP A 58 1.853 -11.281 3.561 1.00 0.00 C ATOM 879 C ASP A 58 1.512 -12.237 4.706 1.00 0.00 C ATOM 880 O ASP A 58 2.068 -13.331 4.792 1.00 0.00 O ATOM 881 CB ASP A 58 2.925 -10.310 4.060 1.00 0.00 C ATOM 882 CG ASP A 58 4.326 -10.910 4.198 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.539 -11.995 3.615 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.153 -10.270 4.883 1.00 0.00 O ATOM 0 H ASP A 58 0.598 -9.604 3.480 1.00 0.00 H new ATOM 0 HA ASP A 58 2.232 -11.824 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.974 -9.463 3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.617 -9.918 5.029 1.00 0.00 H new ATOM 889 N LEU A 59 0.599 -11.791 5.556 1.00 0.00 N ATOM 890 CA LEU A 59 0.178 -12.594 6.691 1.00 0.00 C ATOM 891 C LEU A 59 -0.733 -13.722 6.203 1.00 0.00 C ATOM 892 O LEU A 59 -1.156 -14.567 6.989 1.00 0.00 O ATOM 893 CB LEU A 59 -0.460 -11.710 7.765 1.00 0.00 C ATOM 894 CG LEU A 59 0.497 -10.809 8.548 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.246 -9.621 9.162 1.00 0.00 C ATOM 896 CD2 LEU A 59 1.267 -11.609 9.600 1.00 0.00 C ATOM 0 H LEU A 59 0.139 -10.884 5.481 1.00 0.00 H new ATOM 0 HA LEU A 59 1.040 -13.063 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.212 -11.081 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.983 -12.353 8.473 1.00 0.00 H new ATOM 0 HG LEU A 59 1.231 -10.404 7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.458 -8.997 9.713 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.709 -9.033 8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.017 -9.985 9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.940 -10.944 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.564 -12.062 10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.847 -12.391 9.110 1.00 0.00 H new ATOM 908 N GLU A 60 -1.007 -13.699 4.907 1.00 0.00 N ATOM 909 CA GLU A 60 -1.860 -14.709 4.304 1.00 0.00 C ATOM 910 C GLU A 60 -1.039 -15.618 3.387 1.00 0.00 C ATOM 911 O GLU A 60 -1.092 -16.841 3.510 1.00 0.00 O ATOM 912 CB GLU A 60 -3.019 -14.064 3.541 1.00 0.00 C ATOM 913 CG GLU A 60 -4.053 -13.480 4.506 1.00 0.00 C ATOM 914 CD GLU A 60 -5.326 -14.328 4.523 1.00 0.00 C ATOM 915 OE1 GLU A 60 -6.162 -14.116 3.618 1.00 0.00 O ATOM 916 OE2 GLU A 60 -5.435 -15.169 5.442 1.00 0.00 O ATOM 0 H GLU A 60 -0.653 -12.997 4.257 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.287 -15.318 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.638 -13.277 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.494 -14.806 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.631 -13.430 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.296 -12.459 4.211 1.00 0.00 H new ATOM 923 N VAL A 61 -0.298 -14.986 2.489 1.00 0.00 N ATOM 924 CA VAL A 61 0.533 -15.723 1.552 1.00 0.00 C ATOM 925 C VAL A 61 1.348 -16.770 2.314 1.00 0.00 C ATOM 926 O VAL A 61 1.769 -17.773 1.740 1.00 0.00 O ATOM 927 CB VAL A 61 1.405 -14.753 0.751 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.774 -15.367 0.451 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.703 -14.323 -0.539 1.00 0.00 C ATOM 0 H VAL A 61 -0.256 -13.972 2.390 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.086 -16.255 0.830 1.00 0.00 H new ATOM 0 HB VAL A 61 1.563 -13.863 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.374 -14.658 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.281 -15.601 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.644 -16.280 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.344 -13.634 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.501 -15.200 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.237 -13.828 -0.294 1.00 0.00 H new ATOM 939 N ARG A 62 1.547 -16.500 3.596 1.00 0.00 N ATOM 940 CA ARG A 62 2.304 -17.406 4.442 1.00 0.00 C ATOM 941 C ARG A 62 1.610 -18.767 4.518 1.00 0.00 C ATOM 942 O ARG A 62 2.230 -19.799 4.269 1.00 0.00 O ATOM 943 CB ARG A 62 2.458 -16.840 5.856 1.00 0.00 C ATOM 944 CG ARG A 62 3.643 -15.875 5.934 1.00 0.00 C ATOM 945 CD ARG A 62 3.963 -15.517 7.387 1.00 0.00 C ATOM 946 NE ARG A 62 5.428 -15.533 7.601 1.00 0.00 N ATOM 947 CZ ARG A 62 6.029 -15.089 8.713 1.00 0.00 C ATOM 948 NH1 ARG A 62 5.295 -14.592 9.718 1.00 0.00 N ATOM 949 NH2 ARG A 62 7.363 -15.142 8.820 1.00 0.00 N ATOM 0 H ARG A 62 1.197 -15.667 4.069 1.00 0.00 H new ATOM 0 HA ARG A 62 3.293 -17.523 4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.543 -16.323 6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.601 -17.656 6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.517 -16.328 5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.416 -14.968 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.563 -14.531 7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.481 -16.226 8.060 1.00 0.00 H new ATOM 0 HE ARG A 62 6.016 -15.905 6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.279 -14.552 9.636 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.752 -14.254 10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.921 -15.520 8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.821 -14.804 9.667 1.00 0.00 H new ATOM 963 N GLU A 63 0.331 -18.725 4.863 1.00 0.00 N ATOM 964 CA GLU A 63 -0.455 -19.942 4.975 1.00 0.00 C ATOM 965 C GLU A 63 -0.638 -20.583 3.598 1.00 0.00 C ATOM 966 O GLU A 63 -0.719 -21.806 3.484 1.00 0.00 O ATOM 967 CB GLU A 63 -1.807 -19.663 5.635 1.00 0.00 C ATOM 968 CG GLU A 63 -2.856 -19.273 4.592 1.00 0.00 C ATOM 969 CD GLU A 63 -4.124 -18.741 5.262 1.00 0.00 C ATOM 970 OE1 GLU A 63 -4.021 -18.358 6.447 1.00 0.00 O ATOM 971 OE2 GLU A 63 -5.168 -18.730 4.574 1.00 0.00 O ATOM 0 H GLU A 63 -0.180 -17.867 5.069 1.00 0.00 H new ATOM 0 HA GLU A 63 0.084 -20.643 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.140 -20.548 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.700 -18.862 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.447 -18.514 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.101 -20.139 3.977 1.00 0.00 H new ATOM 978 N ILE A 64 -0.699 -19.730 2.586 1.00 0.00 N ATOM 979 CA ILE A 64 -0.872 -20.198 1.222 1.00 0.00 C ATOM 980 C ILE A 64 0.150 -21.300 0.932 1.00 0.00 C ATOM 981 O ILE A 64 1.292 -21.227 1.384 1.00 0.00 O ATOM 982 CB ILE A 64 -0.807 -19.026 0.241 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.932 -18.024 0.508 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.813 -19.521 -1.207 1.00 0.00 C ATOM 985 CD1 ILE A 64 -2.181 -17.139 -0.715 1.00 0.00 C ATOM 0 H ILE A 64 -0.632 -18.717 2.684 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.861 -20.637 1.093 1.00 0.00 H new ATOM 0 HB ILE A 64 0.136 -18.502 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.846 -18.559 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.674 -17.402 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.766 -18.668 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.050 -20.165 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.727 -20.084 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.985 -16.436 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.272 -16.587 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.463 -17.762 -1.564 1.00 0.00 H new ATOM 997 N PRO A 65 -0.309 -22.321 0.160 1.00 0.00 N ATOM 998 CA PRO A 65 0.552 -23.436 -0.196 1.00 0.00 C ATOM 999 C PRO A 65 1.559 -23.029 -1.273 1.00 0.00 C ATOM 1000 O PRO A 65 1.398 -21.996 -1.920 1.00 0.00 O ATOM 1001 CB PRO A 65 -0.395 -24.534 -0.652 1.00 0.00 C ATOM 1002 CG PRO A 65 -1.709 -23.843 -0.977 1.00 0.00 C ATOM 1003 CD PRO A 65 -1.655 -22.441 -0.393 1.00 0.00 C ATOM 0 HA PRO A 65 1.164 -23.778 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.000 -25.052 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.530 -25.282 0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.862 -23.802 -2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.547 -24.399 -0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.838 -21.686 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.413 -22.304 0.378 1.00 0.00 H new ATOM 1011 N PRO A 66 2.604 -23.885 -1.435 1.00 0.00 N ATOM 1012 CA PRO A 66 3.638 -23.625 -2.423 1.00 0.00 C ATOM 1013 C PRO A 66 3.132 -23.918 -3.836 1.00 0.00 C ATOM 1014 O PRO A 66 3.876 -23.782 -4.807 1.00 0.00 O ATOM 1015 CB PRO A 66 4.804 -24.509 -2.013 1.00 0.00 C ATOM 1016 CG PRO A 66 4.221 -25.569 -1.094 1.00 0.00 C ATOM 1017 CD PRO A 66 2.828 -25.118 -0.686 1.00 0.00 C ATOM 0 HA PRO A 66 3.940 -22.578 -2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.274 -24.964 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.573 -23.929 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.177 -26.532 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.852 -25.701 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.080 -25.872 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.766 -24.945 0.388 1.00 0.00 H new ATOM 1025 N GLN A 67 1.870 -24.316 -3.908 1.00 0.00 N ATOM 1026 CA GLN A 67 1.256 -24.630 -5.187 1.00 0.00 C ATOM 1027 C GLN A 67 0.389 -23.462 -5.661 1.00 0.00 C ATOM 1028 O GLN A 67 0.032 -23.386 -6.836 1.00 0.00 O ATOM 1029 CB GLN A 67 0.438 -25.920 -5.100 1.00 0.00 C ATOM 1030 CG GLN A 67 1.350 -27.149 -5.096 1.00 0.00 C ATOM 1031 CD GLN A 67 0.834 -28.218 -6.061 1.00 0.00 C ATOM 1032 OE1 GLN A 67 1.409 -28.479 -7.105 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -0.280 -28.821 -5.655 1.00 0.00 N ATOM 0 H GLN A 67 1.256 -24.428 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 67 2.048 -24.789 -5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.168 -25.910 -4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.250 -25.976 -5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.361 -26.857 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.407 -27.561 -4.088 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.711 -28.554 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.704 -29.550 -6.229 1.00 0.00 H new ATOM 1042 N SER A 68 0.076 -22.581 -4.723 1.00 0.00 N ATOM 1043 CA SER A 68 -0.742 -21.420 -5.030 1.00 0.00 C ATOM 1044 C SER A 68 0.081 -20.141 -4.866 1.00 0.00 C ATOM 1045 O SER A 68 -0.064 -19.200 -5.646 1.00 0.00 O ATOM 1046 CB SER A 68 -1.984 -21.369 -4.138 1.00 0.00 C ATOM 1047 OG SER A 68 -2.982 -20.497 -4.661 1.00 0.00 O ATOM 0 H SER A 68 0.374 -22.648 -3.750 1.00 0.00 H new ATOM 0 HA SER A 68 -1.074 -21.501 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.397 -22.372 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.700 -21.037 -3.139 1.00 0.00 H new ATOM 0 HG SER A 68 -3.759 -20.493 -4.064 1.00 0.00 H new ATOM 1053 N ARG A 69 0.928 -20.147 -3.847 1.00 0.00 N ATOM 1054 CA ARG A 69 1.775 -18.999 -3.571 1.00 0.00 C ATOM 1055 C ARG A 69 2.292 -18.394 -4.878 1.00 0.00 C ATOM 1056 O ARG A 69 2.545 -17.193 -4.953 1.00 0.00 O ATOM 1057 CB ARG A 69 2.965 -19.391 -2.693 1.00 0.00 C ATOM 1058 CG ARG A 69 3.098 -18.446 -1.497 1.00 0.00 C ATOM 1059 CD ARG A 69 4.459 -18.611 -0.816 1.00 0.00 C ATOM 1060 NE ARG A 69 5.016 -17.285 -0.470 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.951 -17.084 0.469 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.439 -18.123 1.160 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.398 -15.846 0.716 1.00 0.00 N ATOM 0 H ARG A 69 1.046 -20.929 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 69 1.172 -18.263 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.840 -20.415 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.881 -19.367 -3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.976 -17.415 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.302 -18.647 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.353 -19.216 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.144 -19.141 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 69 4.666 -16.472 -0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.099 -19.066 0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.151 -17.971 1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.027 -15.055 0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.110 -15.694 1.431 1.00 0.00 H new ATOM 1077 N GLY A 70 2.434 -19.254 -5.875 1.00 0.00 N ATOM 1078 CA GLY A 70 2.917 -18.820 -7.175 1.00 0.00 C ATOM 1079 C GLY A 70 2.377 -17.431 -7.524 1.00 0.00 C ATOM 1080 O GLY A 70 1.253 -17.089 -7.162 1.00 0.00 O ATOM 0 H GLY A 70 2.223 -20.250 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.007 -18.801 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.611 -19.536 -7.938 1.00 0.00 H new ATOM 1084 N MET A 71 3.204 -16.669 -8.224 1.00 0.00 N ATOM 1085 CA MET A 71 2.824 -15.325 -8.626 1.00 0.00 C ATOM 1086 C MET A 71 2.747 -14.392 -7.416 1.00 0.00 C ATOM 1087 O MET A 71 3.450 -13.384 -7.360 1.00 0.00 O ATOM 1088 CB MET A 71 1.464 -15.367 -9.327 1.00 0.00 C ATOM 1089 CG MET A 71 1.600 -15.018 -10.810 1.00 0.00 C ATOM 1090 SD MET A 71 1.139 -16.421 -11.812 1.00 0.00 S ATOM 1091 CE MET A 71 1.717 -15.866 -13.407 1.00 0.00 C ATOM 0 H MET A 71 4.136 -16.956 -8.523 1.00 0.00 H new ATOM 0 HA MET A 71 3.583 -14.942 -9.309 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.028 -16.360 -9.222 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.781 -14.666 -8.846 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.966 -14.165 -11.051 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.626 -14.725 -11.030 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.507 -16.629 -14.156 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.206 -14.942 -13.678 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.791 -15.687 -13.363 1.00 0.00 H new ATOM 1101 N TYR A 72 1.887 -14.761 -6.479 1.00 0.00 N ATOM 1102 CA TYR A 72 1.709 -13.970 -5.273 1.00 0.00 C ATOM 1103 C TYR A 72 3.057 -13.502 -4.721 1.00 0.00 C ATOM 1104 O TYR A 72 3.199 -12.348 -4.317 1.00 0.00 O ATOM 1105 CB TYR A 72 1.047 -14.898 -4.253 1.00 0.00 C ATOM 1106 CG TYR A 72 0.002 -14.211 -3.372 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.159 -12.886 -3.021 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.098 -14.917 -2.929 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.826 -12.239 -2.192 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.083 -14.270 -2.101 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.898 -12.963 -1.773 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.827 -12.353 -0.990 1.00 0.00 O ATOM 0 H TYR A 72 1.305 -15.597 -6.530 1.00 0.00 H new ATOM 0 HA TYR A 72 1.110 -13.083 -5.480 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.574 -15.725 -4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.819 -15.329 -3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.020 -12.334 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.220 -15.954 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.715 -11.202 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.949 -14.810 -1.748 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.537 -12.991 -0.768 1.00 0.00 H new ATOM 1122 N SER A 73 4.011 -14.420 -4.721 1.00 0.00 N ATOM 1123 CA SER A 73 5.342 -14.116 -4.224 1.00 0.00 C ATOM 1124 C SER A 73 5.996 -13.046 -5.101 1.00 0.00 C ATOM 1125 O SER A 73 6.265 -11.939 -4.638 1.00 0.00 O ATOM 1126 CB SER A 73 6.215 -15.372 -4.181 1.00 0.00 C ATOM 1127 OG SER A 73 6.085 -16.070 -2.945 1.00 0.00 O ATOM 0 H SER A 73 3.889 -15.375 -5.057 1.00 0.00 H new ATOM 0 HA SER A 73 5.248 -13.737 -3.207 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.939 -16.034 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.258 -15.094 -4.333 1.00 0.00 H new ATOM 0 HG SER A 73 6.656 -16.866 -2.957 1.00 0.00 H new ATOM 1133 N ASN A 74 6.232 -13.415 -6.352 1.00 0.00 N ATOM 1134 CA ASN A 74 6.849 -12.500 -7.297 1.00 0.00 C ATOM 1135 C ASN A 74 6.208 -11.118 -7.156 1.00 0.00 C ATOM 1136 O ASN A 74 6.886 -10.100 -7.284 1.00 0.00 O ATOM 1137 CB ASN A 74 6.641 -12.974 -8.737 1.00 0.00 C ATOM 1138 CG ASN A 74 7.001 -11.871 -9.735 1.00 0.00 C ATOM 1139 OD1 ASN A 74 7.853 -11.033 -9.492 1.00 0.00 O ATOM 1140 ND2 ASN A 74 6.305 -11.917 -10.867 1.00 0.00 N ATOM 0 H ASN A 74 6.007 -14.334 -6.732 1.00 0.00 H new ATOM 0 HA ASN A 74 7.917 -12.461 -7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.255 -13.855 -8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.602 -13.273 -8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.471 -11.223 -11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.606 -12.646 -11.006 1.00 0.00 H new ATOM 1147 N ARG A 75 4.910 -11.128 -6.894 1.00 0.00 N ATOM 1148 CA ARG A 75 4.170 -9.887 -6.734 1.00 0.00 C ATOM 1149 C ARG A 75 4.504 -9.239 -5.389 1.00 0.00 C ATOM 1150 O ARG A 75 4.868 -8.066 -5.335 1.00 0.00 O ATOM 1151 CB ARG A 75 2.661 -10.132 -6.814 1.00 0.00 C ATOM 1152 CG ARG A 75 2.105 -9.687 -8.168 1.00 0.00 C ATOM 1153 CD ARG A 75 0.639 -10.099 -8.320 1.00 0.00 C ATOM 1154 NE ARG A 75 0.277 -10.164 -9.753 1.00 0.00 N ATOM 1155 CZ ARG A 75 0.113 -9.089 -10.536 1.00 0.00 C ATOM 1156 NH1 ARG A 75 0.278 -7.859 -10.029 1.00 0.00 N ATOM 1157 NH2 ARG A 75 -0.215 -9.243 -11.826 1.00 0.00 N ATOM 0 H ARG A 75 4.351 -11.975 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 75 4.462 -9.220 -7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.452 -11.191 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.158 -9.589 -6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.194 -8.605 -8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.696 -10.128 -8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.475 -11.069 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.003 -9.384 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 75 0.144 -11.085 -10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.528 -7.741 -9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.153 -7.041 -10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.340 -10.179 -12.212 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.340 -8.424 -12.422 1.00 0.00 H new ATOM 1171 N MET A 76 4.368 -10.032 -4.336 1.00 0.00 N ATOM 1172 CA MET A 76 4.652 -9.550 -2.995 1.00 0.00 C ATOM 1173 C MET A 76 5.888 -8.649 -2.986 1.00 0.00 C ATOM 1174 O MET A 76 5.887 -7.595 -2.352 1.00 0.00 O ATOM 1175 CB MET A 76 4.881 -10.741 -2.063 1.00 0.00 C ATOM 1176 CG MET A 76 3.562 -11.227 -1.459 1.00 0.00 C ATOM 1177 SD MET A 76 3.437 -10.698 0.242 1.00 0.00 S ATOM 1178 CE MET A 76 2.082 -9.544 0.109 1.00 0.00 C ATOM 0 H MET A 76 4.065 -11.005 -4.384 1.00 0.00 H new ATOM 0 HA MET A 76 3.798 -8.966 -2.650 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.353 -11.554 -2.615 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.567 -10.456 -1.265 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.723 -10.834 -2.033 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.505 -12.314 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.696 -9.320 1.103 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.432 -8.624 -0.360 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.289 -9.982 -0.498 1.00 0.00 H new ATOM 1188 N ARG A 77 6.913 -9.097 -3.696 1.00 0.00 N ATOM 1189 CA ARG A 77 8.153 -8.344 -3.778 1.00 0.00 C ATOM 1190 C ARG A 77 7.920 -7.015 -4.498 1.00 0.00 C ATOM 1191 O ARG A 77 8.390 -5.971 -4.048 1.00 0.00 O ATOM 1192 CB ARG A 77 9.231 -9.137 -4.521 1.00 0.00 C ATOM 1193 CG ARG A 77 10.395 -9.483 -3.591 1.00 0.00 C ATOM 1194 CD ARG A 77 11.335 -8.288 -3.421 1.00 0.00 C ATOM 1195 NE ARG A 77 11.616 -8.064 -1.986 1.00 0.00 N ATOM 1196 CZ ARG A 77 12.397 -7.081 -1.517 1.00 0.00 C ATOM 1197 NH1 ARG A 77 12.981 -6.227 -2.368 1.00 0.00 N ATOM 1198 NH2 ARG A 77 12.595 -6.954 -0.198 1.00 0.00 N ATOM 0 H ARG A 77 6.910 -9.972 -4.220 1.00 0.00 H new ATOM 0 HA ARG A 77 8.494 -8.155 -2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.800 -10.052 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.597 -8.556 -5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 77 10.010 -9.788 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.948 -10.331 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 77 12.266 -8.468 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.884 -7.396 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 77 11.188 -8.698 -1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.831 -6.325 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.576 -5.479 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.151 -7.606 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.189 -6.206 0.159 1.00 0.00 H new ATOM 1212 N SER A 78 7.196 -7.096 -5.605 1.00 0.00 N ATOM 1213 CA SER A 78 6.895 -5.912 -6.391 1.00 0.00 C ATOM 1214 C SER A 78 6.148 -4.890 -5.533 1.00 0.00 C ATOM 1215 O SER A 78 6.629 -3.776 -5.328 1.00 0.00 O ATOM 1216 CB SER A 78 6.071 -6.269 -7.630 1.00 0.00 C ATOM 1217 OG SER A 78 6.779 -6.002 -8.837 1.00 0.00 O ATOM 0 H SER A 78 6.809 -7.964 -5.976 1.00 0.00 H new ATOM 0 HA SER A 78 7.836 -5.476 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.801 -7.324 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.140 -5.701 -7.622 1.00 0.00 H new ATOM 0 HG SER A 78 6.220 -6.245 -9.605 1.00 0.00 H new ATOM 1223 N TYR A 79 4.984 -5.304 -5.054 1.00 0.00 N ATOM 1224 CA TYR A 79 4.165 -4.438 -4.223 1.00 0.00 C ATOM 1225 C TYR A 79 5.024 -3.682 -3.207 1.00 0.00 C ATOM 1226 O TYR A 79 5.106 -2.456 -3.248 1.00 0.00 O ATOM 1227 CB TYR A 79 3.202 -5.360 -3.473 1.00 0.00 C ATOM 1228 CG TYR A 79 2.116 -5.976 -4.357 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.496 -5.210 -5.323 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.755 -7.297 -4.187 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.474 -5.790 -6.155 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.732 -7.877 -5.019 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.142 -7.095 -5.962 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.824 -7.642 -6.747 1.00 0.00 O ATOM 0 H TYR A 79 4.588 -6.228 -5.226 1.00 0.00 H new ATOM 0 HA TYR A 79 3.646 -3.699 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.773 -6.162 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.727 -4.796 -2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.777 -4.176 -5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.239 -7.896 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.018 -5.202 -6.916 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.440 -8.910 -4.897 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.823 -7.201 -7.622 1.00 0.00 H new ATOM 1244 N LYS A 80 5.643 -4.446 -2.319 1.00 0.00 N ATOM 1245 CA LYS A 80 6.493 -3.864 -1.294 1.00 0.00 C ATOM 1246 C LYS A 80 7.340 -2.750 -1.912 1.00 0.00 C ATOM 1247 O LYS A 80 7.302 -1.609 -1.452 1.00 0.00 O ATOM 1248 CB LYS A 80 7.317 -4.950 -0.600 1.00 0.00 C ATOM 1249 CG LYS A 80 6.665 -5.377 0.717 1.00 0.00 C ATOM 1250 CD LYS A 80 6.423 -6.887 0.745 1.00 0.00 C ATOM 1251 CE LYS A 80 5.039 -7.210 1.312 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.104 -7.360 2.783 1.00 0.00 N ATOM 0 H LYS A 80 5.573 -5.463 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 80 5.887 -3.408 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.415 -5.813 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.324 -4.580 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.304 -5.092 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.719 -4.851 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.510 -7.292 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.190 -7.371 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.339 -6.416 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.661 -8.128 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.157 -7.579 3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.757 -8.133 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.444 -6.474 3.208 1.00 0.00 H new ATOM 1266 N GLN A 81 8.084 -3.119 -2.944 1.00 0.00 N ATOM 1267 CA GLN A 81 8.939 -2.165 -3.629 1.00 0.00 C ATOM 1268 C GLN A 81 8.173 -0.869 -3.906 1.00 0.00 C ATOM 1269 O GLN A 81 8.599 0.208 -3.491 1.00 0.00 O ATOM 1270 CB GLN A 81 9.496 -2.760 -4.924 1.00 0.00 C ATOM 1271 CG GLN A 81 10.911 -3.301 -4.714 1.00 0.00 C ATOM 1272 CD GLN A 81 11.924 -2.160 -4.600 1.00 0.00 C ATOM 1273 OE1 GLN A 81 11.956 -1.419 -3.631 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.746 -2.060 -5.640 1.00 0.00 N ATOM 0 H GLN A 81 8.112 -4.066 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 81 9.784 -1.933 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.844 -3.562 -5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.506 -1.998 -5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.941 -3.910 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.183 -3.951 -5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.665 -2.714 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.458 -1.330 -5.659 1.00 0.00 H new ATOM 1283 N GLU A 82 7.057 -1.017 -4.604 1.00 0.00 N ATOM 1284 CA GLU A 82 6.228 0.129 -4.941 1.00 0.00 C ATOM 1285 C GLU A 82 5.738 0.822 -3.668 1.00 0.00 C ATOM 1286 O GLU A 82 6.012 2.002 -3.455 1.00 0.00 O ATOM 1287 CB GLU A 82 5.052 -0.287 -5.826 1.00 0.00 C ATOM 1288 CG GLU A 82 4.280 0.936 -6.322 1.00 0.00 C ATOM 1289 CD GLU A 82 4.617 1.243 -7.783 1.00 0.00 C ATOM 1290 OE1 GLU A 82 4.722 0.267 -8.558 1.00 0.00 O ATOM 1291 OE2 GLU A 82 4.762 2.445 -8.092 1.00 0.00 O ATOM 0 H GLU A 82 6.707 -1.912 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 82 6.833 0.837 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.418 -0.860 -6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.384 -0.941 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.209 0.760 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.521 1.799 -5.701 1.00 0.00 H new ATOM 1298 N MET A 83 5.023 0.059 -2.855 1.00 0.00 N ATOM 1299 CA MET A 83 4.492 0.585 -1.609 1.00 0.00 C ATOM 1300 C MET A 83 5.503 1.511 -0.930 1.00 0.00 C ATOM 1301 O MET A 83 5.278 2.716 -0.830 1.00 0.00 O ATOM 1302 CB MET A 83 4.149 -0.574 -0.670 1.00 0.00 C ATOM 1303 CG MET A 83 2.759 -0.390 -0.058 1.00 0.00 C ATOM 1304 SD MET A 83 2.862 0.648 1.391 1.00 0.00 S ATOM 1305 CE MET A 83 1.453 1.708 1.113 1.00 0.00 C ATOM 0 H MET A 83 4.799 -0.920 -3.035 1.00 0.00 H new ATOM 0 HA MET A 83 3.594 1.161 -1.833 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.187 -1.515 -1.219 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.894 -0.637 0.123 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.087 0.059 -0.790 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.339 -1.360 0.208 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.460 2.520 1.840 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.502 2.122 0.106 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.535 1.130 1.223 1.00 0.00 H new ATOM 1315 N GLY A 84 6.596 0.912 -0.480 1.00 0.00 N ATOM 1316 CA GLY A 84 7.643 1.667 0.187 1.00 0.00 C ATOM 1317 C GLY A 84 8.001 2.926 -0.606 1.00 0.00 C ATOM 1318 O GLY A 84 8.199 3.993 -0.027 1.00 0.00 O ATOM 0 H GLY A 84 6.779 -0.088 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.314 1.945 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.529 1.042 0.304 1.00 0.00 H new ATOM 1322 N LYS A 85 8.073 2.760 -1.919 1.00 0.00 N ATOM 1323 CA LYS A 85 8.403 3.869 -2.797 1.00 0.00 C ATOM 1324 C LYS A 85 7.299 4.926 -2.714 1.00 0.00 C ATOM 1325 O LYS A 85 7.583 6.120 -2.643 1.00 0.00 O ATOM 1326 CB LYS A 85 8.668 3.367 -4.217 1.00 0.00 C ATOM 1327 CG LYS A 85 10.045 3.818 -4.710 1.00 0.00 C ATOM 1328 CD LYS A 85 10.606 2.838 -5.742 1.00 0.00 C ATOM 1329 CE LYS A 85 11.834 3.422 -6.443 1.00 0.00 C ATOM 1330 NZ LYS A 85 11.431 4.467 -7.411 1.00 0.00 N ATOM 0 H LYS A 85 7.908 1.873 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 85 9.328 4.348 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.608 2.279 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.896 3.742 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.970 4.812 -5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.730 3.895 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.874 1.902 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.839 2.603 -6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.515 3.845 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.376 2.630 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.235 4.696 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.639 4.119 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.136 5.321 -6.897 1.00 0.00 H new ATOM 1344 N LEU A 86 6.064 4.447 -2.725 1.00 0.00 N ATOM 1345 CA LEU A 86 4.916 5.335 -2.652 1.00 0.00 C ATOM 1346 C LEU A 86 5.063 6.252 -1.437 1.00 0.00 C ATOM 1347 O LEU A 86 4.653 7.411 -1.476 1.00 0.00 O ATOM 1348 CB LEU A 86 3.615 4.531 -2.661 1.00 0.00 C ATOM 1349 CG LEU A 86 2.965 4.323 -4.031 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.222 2.986 -4.088 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.056 5.499 -4.391 1.00 0.00 C ATOM 0 H LEU A 86 5.833 3.455 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 86 4.874 5.976 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.812 3.553 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.897 5.032 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 86 3.755 4.285 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.769 2.863 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.924 2.172 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.443 2.970 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.607 5.326 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.270 5.594 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.643 6.417 -4.419 1.00 0.00 H new ATOM 1363 N GLU A 87 5.650 5.699 -0.385 1.00 0.00 N ATOM 1364 CA GLU A 87 5.856 6.453 0.840 1.00 0.00 C ATOM 1365 C GLU A 87 6.935 7.518 0.632 1.00 0.00 C ATOM 1366 O GLU A 87 7.063 8.442 1.434 1.00 0.00 O ATOM 1367 CB GLU A 87 6.219 5.525 2.001 1.00 0.00 C ATOM 1368 CG GLU A 87 4.974 4.827 2.553 1.00 0.00 C ATOM 1369 CD GLU A 87 4.927 4.919 4.080 1.00 0.00 C ATOM 1370 OE1 GLU A 87 5.590 4.075 4.720 1.00 0.00 O ATOM 1371 OE2 GLU A 87 4.228 5.832 4.572 1.00 0.00 O ATOM 0 H GLU A 87 5.989 4.738 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 87 4.922 6.954 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.939 4.780 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.700 6.098 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.079 5.283 2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.974 3.781 2.248 1.00 0.00 H new ATOM 1378 N THR A 88 7.683 7.354 -0.449 1.00 0.00 N ATOM 1379 CA THR A 88 8.747 8.290 -0.772 1.00 0.00 C ATOM 1380 C THR A 88 8.271 9.295 -1.824 1.00 0.00 C ATOM 1381 O THR A 88 8.224 10.496 -1.563 1.00 0.00 O ATOM 1382 CB THR A 88 9.969 7.482 -1.213 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.607 7.123 0.010 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.008 8.341 -1.937 1.00 0.00 C ATOM 0 H THR A 88 7.574 6.587 -1.112 1.00 0.00 H new ATOM 0 HA THR A 88 9.029 8.885 0.097 1.00 0.00 H new ATOM 0 HB THR A 88 9.651 6.669 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.410 6.594 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.855 7.719 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.559 8.783 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.352 9.134 -1.272 1.00 0.00 H new ATOM 1392 N ASP A 89 7.931 8.766 -2.990 1.00 0.00 N ATOM 1393 CA ASP A 89 7.462 9.602 -4.082 1.00 0.00 C ATOM 1394 C ASP A 89 6.347 10.518 -3.574 1.00 0.00 C ATOM 1395 O ASP A 89 6.127 11.598 -4.122 1.00 0.00 O ATOM 1396 CB ASP A 89 6.893 8.753 -5.221 1.00 0.00 C ATOM 1397 CG ASP A 89 7.767 8.684 -6.474 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.183 9.768 -6.937 1.00 0.00 O ATOM 1399 OD2 ASP A 89 8.000 7.548 -6.942 1.00 0.00 O ATOM 0 H ASP A 89 7.971 7.769 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 89 8.309 10.180 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.731 7.740 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.917 9.151 -5.498 1.00 0.00 H new ATOM 1404 N PHE A 90 5.672 10.055 -2.532 1.00 0.00 N ATOM 1405 CA PHE A 90 4.585 10.819 -1.944 1.00 0.00 C ATOM 1406 C PHE A 90 5.112 12.075 -1.248 1.00 0.00 C ATOM 1407 O PHE A 90 4.553 13.159 -1.408 1.00 0.00 O ATOM 1408 CB PHE A 90 3.915 9.917 -0.905 1.00 0.00 C ATOM 1409 CG PHE A 90 3.068 10.673 0.121 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.428 11.819 -0.237 1.00 0.00 C ATOM 1411 CD2 PHE A 90 2.955 10.199 1.390 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.642 12.520 0.715 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.169 10.900 2.342 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.529 12.046 1.985 1.00 0.00 C ATOM 0 H PHE A 90 5.857 9.160 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 90 3.887 11.132 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.283 9.194 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.684 9.351 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.518 12.195 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.463 9.289 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.134 13.430 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.079 10.523 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.931 12.579 2.710 1.00 0.00 H new ATOM 1424 N LYS A 91 6.183 11.887 -0.490 1.00 0.00 N ATOM 1425 CA LYS A 91 6.792 12.992 0.231 1.00 0.00 C ATOM 1426 C LYS A 91 7.638 13.822 -0.736 1.00 0.00 C ATOM 1427 O LYS A 91 7.851 15.013 -0.515 1.00 0.00 O ATOM 1428 CB LYS A 91 7.571 12.476 1.443 1.00 0.00 C ATOM 1429 CG LYS A 91 9.079 12.553 1.198 1.00 0.00 C ATOM 1430 CD LYS A 91 9.842 11.684 2.200 1.00 0.00 C ATOM 1431 CE LYS A 91 11.354 11.842 2.023 1.00 0.00 C ATOM 1432 NZ LYS A 91 12.046 10.566 2.312 1.00 0.00 N ATOM 0 H LYS A 91 6.644 10.987 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 91 6.025 13.654 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.311 13.063 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.285 11.445 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.303 12.226 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.412 13.588 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.560 11.961 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.564 10.639 2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.576 12.160 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.724 12.622 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.071 10.691 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.849 10.278 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.705 9.831 1.660 1.00 0.00 H new ATOM 1446 N ARG A 92 8.098 13.160 -1.787 1.00 0.00 N ATOM 1447 CA ARG A 92 8.917 13.822 -2.789 1.00 0.00 C ATOM 1448 C ARG A 92 8.033 14.595 -3.770 1.00 0.00 C ATOM 1449 O ARG A 92 8.528 15.165 -4.741 1.00 0.00 O ATOM 1450 CB ARG A 92 9.763 12.811 -3.564 1.00 0.00 C ATOM 1451 CG ARG A 92 11.019 12.429 -2.777 1.00 0.00 C ATOM 1452 CD ARG A 92 11.898 11.468 -3.580 1.00 0.00 C ATOM 1453 NE ARG A 92 13.237 11.367 -2.957 1.00 0.00 N ATOM 1454 CZ ARG A 92 14.180 10.497 -3.341 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.937 9.646 -4.348 1.00 0.00 N ATOM 1456 NH2 ARG A 92 15.366 10.476 -2.718 1.00 0.00 N ATOM 0 H ARG A 92 7.919 12.172 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 92 9.582 14.513 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.172 11.918 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.048 13.233 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.586 13.327 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.734 11.964 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.432 10.484 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.991 11.820 -4.607 1.00 0.00 H new ATOM 0 HE ARG A 92 13.455 12.000 -2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.034 9.661 -4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.655 8.983 -4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.551 11.123 -1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 92 16.084 9.813 -3.011 1.00 0.00 H new ATOM 1470 N SER A 93 6.739 14.591 -3.482 1.00 0.00 N ATOM 1471 CA SER A 93 5.782 15.284 -4.327 1.00 0.00 C ATOM 1472 C SER A 93 5.182 16.472 -3.571 1.00 0.00 C ATOM 1473 O SER A 93 4.942 17.527 -4.156 1.00 0.00 O ATOM 1474 CB SER A 93 4.675 14.339 -4.796 1.00 0.00 C ATOM 1475 OG SER A 93 4.826 13.977 -6.166 1.00 0.00 O ATOM 0 H SER A 93 6.332 14.119 -2.675 1.00 0.00 H new ATOM 0 HA SER A 93 6.307 15.650 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.682 13.439 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.706 14.816 -4.652 1.00 0.00 H new ATOM 0 HG SER A 93 3.965 13.673 -6.521 1.00 0.00 H new ATOM 1481 N ARG A 94 4.955 16.259 -2.283 1.00 0.00 N ATOM 1482 CA ARG A 94 4.387 17.298 -1.442 1.00 0.00 C ATOM 1483 C ARG A 94 5.452 18.341 -1.094 1.00 0.00 C ATOM 1484 O ARG A 94 5.132 19.413 -0.582 1.00 0.00 O ATOM 1485 CB ARG A 94 3.818 16.711 -0.149 1.00 0.00 C ATOM 1486 CG ARG A 94 4.939 16.246 0.783 1.00 0.00 C ATOM 1487 CD ARG A 94 4.369 15.578 2.036 1.00 0.00 C ATOM 1488 NE ARG A 94 5.411 15.495 3.084 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.157 15.261 4.378 1.00 0.00 C ATOM 1490 NH1 ARG A 94 3.895 15.084 4.792 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.165 15.203 5.259 1.00 0.00 N ATOM 0 H ARG A 94 5.154 15.382 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 94 3.579 17.770 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.207 17.459 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.164 15.871 -0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.588 15.546 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.556 17.098 1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.515 16.146 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.006 14.579 1.793 1.00 0.00 H new ATOM 0 HE ARG A 94 6.383 15.624 2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.127 15.127 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.702 14.906 5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.126 15.337 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.971 15.025 6.244 1.00 0.00 H new ATOM 1505 N ILE A 95 6.696 17.990 -1.386 1.00 0.00 N ATOM 1506 CA ILE A 95 7.809 18.881 -1.110 1.00 0.00 C ATOM 1507 C ILE A 95 8.012 19.820 -2.302 1.00 0.00 C ATOM 1508 O ILE A 95 8.981 20.576 -2.342 1.00 0.00 O ATOM 1509 CB ILE A 95 9.059 18.080 -0.739 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.555 17.257 -1.930 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.806 17.210 0.493 1.00 0.00 C ATOM 1512 CD1 ILE A 95 11.006 16.815 -1.724 1.00 0.00 C ATOM 0 H ILE A 95 6.957 17.100 -1.811 1.00 0.00 H new ATOM 0 HA ILE A 95 7.591 19.506 -0.244 1.00 0.00 H new ATOM 0 HB ILE A 95 9.851 18.782 -0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.919 16.381 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.477 17.848 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.710 16.651 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.534 17.844 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.993 16.514 0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.334 16.232 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.642 17.694 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.076 16.204 -0.824 1.00 0.00 H new ATOM 1524 N ALA A 96 7.082 19.740 -3.242 1.00 0.00 N ATOM 1525 CA ALA A 96 7.146 20.573 -4.431 1.00 0.00 C ATOM 1526 C ALA A 96 6.458 21.910 -4.149 1.00 0.00 C ATOM 1527 O ALA A 96 5.285 21.943 -3.777 1.00 0.00 O ATOM 1528 CB ALA A 96 6.516 19.830 -5.610 1.00 0.00 C ATOM 0 H ALA A 96 6.280 19.111 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 96 8.182 20.785 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.564 20.455 -6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.060 18.902 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.475 19.603 -5.382 1.00 0.00 H new ATOM 1534 N SER A 97 7.215 22.981 -4.337 1.00 0.00 N ATOM 1535 CA SER A 97 6.692 24.317 -4.109 1.00 0.00 C ATOM 1536 C SER A 97 6.489 25.035 -5.444 1.00 0.00 C ATOM 1537 O SER A 97 7.063 26.098 -5.676 1.00 0.00 O ATOM 1538 CB SER A 97 7.626 25.127 -3.207 1.00 0.00 C ATOM 1539 OG SER A 97 6.917 26.085 -2.426 1.00 0.00 O ATOM 0 H SER A 97 8.187 22.950 -4.645 1.00 0.00 H new ATOM 0 HA SER A 97 5.731 24.226 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.168 24.451 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.369 25.637 -3.820 1.00 0.00 H new ATOM 0 HG SER A 97 7.548 26.580 -1.863 1.00 0.00 H new ATOM 1545 N GLY A 98 5.669 24.426 -6.288 1.00 0.00 N ATOM 1546 CA GLY A 98 5.382 24.994 -7.595 1.00 0.00 C ATOM 1547 C GLY A 98 5.733 24.008 -8.710 1.00 0.00 C ATOM 1548 O GLY A 98 5.373 22.834 -8.642 1.00 0.00 O ATOM 0 H GLY A 98 5.194 23.545 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.326 25.258 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.949 25.915 -7.728 1.00 0.00 H new ATOM 1552 N PRO A 99 6.452 24.534 -9.738 1.00 0.00 N ATOM 1553 CA PRO A 99 6.856 23.713 -10.867 1.00 0.00 C ATOM 1554 C PRO A 99 8.014 22.789 -10.486 1.00 0.00 C ATOM 1555 O PRO A 99 7.995 21.601 -10.804 1.00 0.00 O ATOM 1556 CB PRO A 99 7.222 24.702 -11.961 1.00 0.00 C ATOM 1557 CG PRO A 99 7.454 26.032 -11.262 1.00 0.00 C ATOM 1558 CD PRO A 99 6.897 25.920 -9.852 1.00 0.00 C ATOM 0 HA PRO A 99 6.066 23.042 -11.203 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.116 24.380 -12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.423 24.782 -12.698 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.518 26.269 -11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 99 6.962 26.839 -11.804 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.657 26.155 -9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.072 26.615 -9.696 1.00 0.00 H new ATOM 1566 N SER A 100 8.994 23.369 -9.809 1.00 0.00 N ATOM 1567 CA SER A 100 10.158 22.611 -9.381 1.00 0.00 C ATOM 1568 C SER A 100 10.698 21.779 -10.546 1.00 0.00 C ATOM 1569 O SER A 100 10.327 20.617 -10.707 1.00 0.00 O ATOM 1570 CB SER A 100 9.821 21.708 -8.193 1.00 0.00 C ATOM 1571 OG SER A 100 10.967 21.428 -7.393 1.00 0.00 O ATOM 0 H SER A 100 9.006 24.355 -9.546 1.00 0.00 H new ATOM 0 HA SER A 100 10.926 23.315 -9.060 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.058 22.187 -7.579 1.00 0.00 H new ATOM 0 HB3 SER A 100 9.396 20.773 -8.558 1.00 0.00 H new ATOM 0 HG SER A 100 10.710 20.850 -6.644 1.00 0.00 H new ATOM 1577 N SER A 101 11.566 22.405 -11.327 1.00 0.00 N ATOM 1578 CA SER A 101 12.160 21.736 -12.472 1.00 0.00 C ATOM 1579 C SER A 101 13.382 20.928 -12.030 1.00 0.00 C ATOM 1580 O SER A 101 14.032 21.269 -11.043 1.00 0.00 O ATOM 1581 CB SER A 101 12.553 22.742 -13.555 1.00 0.00 C ATOM 1582 OG SER A 101 11.414 23.303 -14.202 1.00 0.00 O ATOM 0 H SER A 101 11.872 23.368 -11.189 1.00 0.00 H new ATOM 0 HA SER A 101 11.418 21.059 -12.895 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.147 23.540 -13.110 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.184 22.250 -14.295 1.00 0.00 H new ATOM 0 HG SER A 101 11.707 23.941 -14.885 1.00 0.00 H new ATOM 1588 N GLY A 102 13.657 19.872 -12.781 1.00 0.00 N ATOM 1589 CA GLY A 102 14.789 19.013 -12.479 1.00 0.00 C ATOM 1590 C GLY A 102 14.328 17.587 -12.171 1.00 0.00 C ATOM 1591 O GLY A 102 14.321 16.729 -13.053 1.00 0.00 O ATOM 0 H GLY A 102 13.115 19.592 -13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 102 15.477 19.002 -13.324 1.00 0.00 H new ATOM 0 HA3 GLY A 102 15.337 19.414 -11.626 1.00 0.00 H new TER 1595 GLY A 102