USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 777 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 0 THR OG1 : rot 90:sc= 0.285 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.804 (180deg=-0.804) USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 LYS NZ :NH3+ 135:sc= -1.26 (180deg=-2.96!) USER MOD Single : A -8 TYR OH : rot -148:sc= 0.737 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -1.02 F(o=-2.7!,f=-1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 140:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 104:sc= 0.372 USER MOD Single : A 36 SER OG : rot 83:sc= 0.37 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0.444 (180deg=0.437) USER MOD Single : A 57 HIS : no HE2:sc= 0.233 K(o=0.23,f=-1.2) USER MOD Single : A 59 ASN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= 0.488 (180deg=-0.233) USER MOD Single : A 63 ASN : amide:sc= 0.00539 K(o=0.0054,f=-1.7!) USER MOD Single : A 69 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.23) USER MOD Single : A 73 MET CE :methyl -138:sc= -2.34! (180deg=-2.75) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc=-0.000932 USER MOD Single : A -13 GLY N :NH3+ -120:sc= 0.0812 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -13 1.809 -6.246 1.047 1.00 0.00 N ATOM 2 CA GLY A -13 2.353 -5.383 -0.034 1.00 0.00 C ATOM 3 C GLY A -13 1.440 -4.205 -0.345 1.00 0.00 C ATOM 4 O GLY A -13 0.378 -4.054 0.275 1.00 0.00 O ATOM 0 H1 GLY A -13 2.480 -6.272 1.841 1.00 0.00 H new ATOM 0 H2 GLY A -13 0.900 -5.861 1.374 1.00 0.00 H new ATOM 0 H3 GLY A -13 1.666 -7.210 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A -13 3.335 -5.012 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A -13 2.494 -5.979 -0.936 1.00 0.00 H new ATOM 10 N GLY A -12 1.867 -3.367 -1.306 1.00 0.00 N ATOM 11 CA GLY A -12 1.089 -2.201 -1.742 1.00 0.00 C ATOM 12 C GLY A -12 1.409 -1.803 -3.174 1.00 0.00 C ATOM 13 O GLY A -12 1.216 -0.641 -3.563 1.00 0.00 O ATOM 0 H GLY A -12 2.754 -3.480 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A -12 0.025 -2.423 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A -12 1.293 -1.361 -1.078 1.00 0.00 H new ATOM 17 N GLY A -11 1.897 -2.788 -3.958 1.00 0.00 N ATOM 18 CA GLY A -11 2.284 -2.576 -5.350 1.00 0.00 C ATOM 19 C GLY A -11 1.085 -2.577 -6.281 1.00 0.00 C ATOM 20 O GLY A -11 0.125 -3.321 -6.055 1.00 0.00 O ATOM 0 H GLY A -11 2.030 -3.746 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A -11 2.811 -1.626 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A -11 2.981 -3.357 -5.655 1.00 0.00 H new ATOM 24 N ARG A -10 1.133 -1.732 -7.322 1.00 0.00 N ATOM 25 CA ARG A -10 0.040 -1.591 -8.294 1.00 0.00 C ATOM 26 C ARG A -10 0.179 -2.663 -9.382 1.00 0.00 C ATOM 27 O ARG A -10 0.723 -2.416 -10.461 1.00 0.00 O ATOM 28 CB ARG A -10 0.022 -0.157 -8.891 1.00 0.00 C ATOM 29 CG ARG A -10 -0.171 0.954 -7.836 1.00 0.00 C ATOM 30 CD ARG A -10 -0.327 2.352 -8.458 1.00 0.00 C ATOM 31 NE ARG A -10 -1.483 2.425 -9.374 1.00 0.00 N ATOM 32 CZ ARG A -10 -2.062 3.549 -9.817 1.00 0.00 C ATOM 33 NH1 ARG A -10 -1.620 4.744 -9.445 1.00 0.00 N ATOM 34 NH2 ARG A -10 -3.091 3.468 -10.646 1.00 0.00 N ATOM 0 H ARG A -10 1.932 -1.127 -7.513 1.00 0.00 H new ATOM 0 HA ARG A -10 -0.916 -1.740 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A -10 0.958 0.017 -9.422 1.00 0.00 H new ATOM 0 HB3 ARG A -10 -0.779 -0.090 -9.627 1.00 0.00 H new ATOM 0 HG2 ARG A -10 -1.053 0.729 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A -10 0.683 0.957 -7.159 1.00 0.00 H new ATOM 0 HD2 ARG A -10 -0.446 3.090 -7.665 1.00 0.00 H new ATOM 0 HD3 ARG A -10 0.582 2.611 -9.001 1.00 0.00 H new ATOM 0 HE ARG A -10 -1.876 1.541 -9.698 1.00 0.00 H new ATOM 0 HH11 ARG A -10 -0.825 4.819 -8.810 1.00 0.00 H new ATOM 0 HH12 ARG A -10 -2.075 5.587 -9.794 1.00 0.00 H new ATOM 0 HH21 ARG A -10 -3.437 2.555 -10.942 1.00 0.00 H new ATOM 0 HH22 ARG A -10 -3.538 4.318 -10.988 1.00 0.00 H new ATOM 48 N ASP A -9 -0.248 -3.882 -9.035 1.00 0.00 N ATOM 49 CA ASP A -9 -0.257 -5.038 -9.948 1.00 0.00 C ATOM 50 C ASP A -9 -1.614 -5.111 -10.663 1.00 0.00 C ATOM 51 O ASP A -9 -2.618 -4.600 -10.145 1.00 0.00 O ATOM 52 CB ASP A -9 0.039 -6.348 -9.172 1.00 0.00 C ATOM 53 CG ASP A -9 1.236 -6.202 -8.208 1.00 0.00 C ATOM 54 OD1 ASP A -9 2.365 -5.956 -8.691 1.00 0.00 O ATOM 55 OD2 ASP A -9 1.049 -6.306 -6.970 1.00 0.00 O ATOM 0 H ASP A -9 -0.601 -4.100 -8.103 1.00 0.00 H new ATOM 0 HA ASP A -9 0.527 -4.915 -10.695 1.00 0.00 H new ATOM 0 HB2 ASP A -9 -0.846 -6.640 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A -9 0.243 -7.150 -9.882 1.00 0.00 H new ATOM 60 N TYR A -8 -1.645 -5.742 -11.850 1.00 0.00 N ATOM 61 CA TYR A -8 -2.820 -5.689 -12.756 1.00 0.00 C ATOM 62 C TYR A -8 -3.342 -7.091 -13.095 1.00 0.00 C ATOM 63 O TYR A -8 -3.940 -7.303 -14.155 1.00 0.00 O ATOM 64 CB TYR A -8 -2.435 -4.920 -14.045 1.00 0.00 C ATOM 65 CG TYR A -8 -1.872 -3.510 -13.805 1.00 0.00 C ATOM 66 CD1 TYR A -8 -2.718 -2.402 -13.692 1.00 0.00 C ATOM 67 CD2 TYR A -8 -0.494 -3.290 -13.691 1.00 0.00 C ATOM 68 CE1 TYR A -8 -2.216 -1.131 -13.487 1.00 0.00 C ATOM 69 CE2 TYR A -8 0.009 -2.017 -13.484 1.00 0.00 C ATOM 70 CZ TYR A -8 -0.857 -0.942 -13.384 1.00 0.00 C ATOM 71 OH TYR A -8 -0.358 0.326 -13.180 1.00 0.00 O ATOM 0 H TYR A -8 -0.870 -6.298 -12.211 1.00 0.00 H new ATOM 0 HA TYR A -8 -3.628 -5.165 -12.245 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -1.696 -5.504 -14.593 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -3.316 -4.842 -14.682 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -3.786 -2.543 -13.767 1.00 0.00 H new ATOM 0 HD2 TYR A -8 0.186 -4.125 -13.766 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -2.888 -0.289 -13.408 1.00 0.00 H new ATOM 0 HE2 TYR A -8 1.075 -1.863 -13.401 1.00 0.00 H new ATOM 0 HH TYR A -8 0.518 0.406 -13.612 1.00 0.00 H new ATOM 81 N LYS A -7 -3.107 -8.042 -12.187 1.00 0.00 N ATOM 82 CA LYS A -7 -3.508 -9.444 -12.366 1.00 0.00 C ATOM 83 C LYS A -7 -3.510 -10.164 -11.014 1.00 0.00 C ATOM 84 O LYS A -7 -2.490 -10.171 -10.321 1.00 0.00 O ATOM 85 CB LYS A -7 -2.572 -10.196 -13.377 1.00 0.00 C ATOM 86 CG LYS A -7 -1.042 -10.035 -13.117 1.00 0.00 C ATOM 87 CD LYS A -7 -0.401 -8.782 -13.779 1.00 0.00 C ATOM 88 CE LYS A -7 -0.245 -8.876 -15.297 1.00 0.00 C ATOM 89 NZ LYS A -7 -1.533 -8.771 -16.034 1.00 0.00 N ATOM 0 H LYS A -7 -2.631 -7.863 -11.303 1.00 0.00 H new ATOM 0 HA LYS A -7 -4.515 -9.450 -12.784 1.00 0.00 H new ATOM 0 HB2 LYS A -7 -2.818 -11.258 -13.353 1.00 0.00 H new ATOM 0 HB3 LYS A -7 -2.792 -9.840 -14.384 1.00 0.00 H new ATOM 0 HG2 LYS A -7 -0.873 -9.988 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A -7 -0.529 -10.925 -13.482 1.00 0.00 H new ATOM 0 HD2 LYS A -7 -1.011 -7.910 -13.543 1.00 0.00 H new ATOM 0 HD3 LYS A -7 0.580 -8.614 -13.335 1.00 0.00 H new ATOM 0 HE2 LYS A -7 0.423 -8.084 -15.635 1.00 0.00 H new ATOM 0 HE3 LYS A -7 0.231 -9.824 -15.547 1.00 0.00 H new ATOM 0 HZ1 LYS A -7 -1.419 -8.126 -16.842 1.00 0.00 H new ATOM 0 HZ2 LYS A -7 -1.814 -9.711 -16.378 1.00 0.00 H new ATOM 0 HZ3 LYS A -7 -2.268 -8.402 -15.398 1.00 0.00 H new ATOM 103 N ASP A -6 -4.681 -10.708 -10.643 1.00 0.00 N ATOM 104 CA ASP A -6 -4.857 -11.634 -9.501 1.00 0.00 C ATOM 105 C ASP A -6 -4.364 -11.007 -8.151 1.00 0.00 C ATOM 106 O ASP A -6 -4.163 -9.794 -8.062 1.00 0.00 O ATOM 107 CB ASP A -6 -4.154 -12.995 -9.844 1.00 0.00 C ATOM 108 CG ASP A -6 -4.701 -14.193 -9.056 1.00 0.00 C ATOM 109 OD1 ASP A -6 -5.867 -14.570 -9.277 1.00 0.00 O ATOM 110 OD2 ASP A -6 -3.979 -14.746 -8.208 1.00 0.00 O ATOM 0 H ASP A -6 -5.553 -10.515 -11.136 1.00 0.00 H new ATOM 0 HA ASP A -6 -5.919 -11.825 -9.346 1.00 0.00 H new ATOM 0 HB2 ASP A -6 -4.266 -13.192 -10.910 1.00 0.00 H new ATOM 0 HB3 ASP A -6 -3.086 -12.901 -9.648 1.00 0.00 H new ATOM 115 N ASP A -5 -4.234 -11.828 -7.091 1.00 0.00 N ATOM 116 CA ASP A -5 -3.635 -11.415 -5.794 1.00 0.00 C ATOM 117 C ASP A -5 -2.242 -12.060 -5.639 1.00 0.00 C ATOM 118 O ASP A -5 -1.346 -11.492 -5.003 1.00 0.00 O ATOM 119 CB ASP A -5 -4.554 -11.844 -4.616 1.00 0.00 C ATOM 120 CG ASP A -5 -5.949 -11.204 -4.666 1.00 0.00 C ATOM 121 OD1 ASP A -5 -6.804 -11.681 -5.444 1.00 0.00 O ATOM 122 OD2 ASP A -5 -6.203 -10.229 -3.922 1.00 0.00 O ATOM 0 H ASP A -5 -4.541 -12.801 -7.104 1.00 0.00 H new ATOM 0 HA ASP A -5 -3.533 -10.330 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A -5 -4.660 -12.929 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A -5 -4.074 -11.577 -3.675 1.00 0.00 H new ATOM 127 N ASP A -4 -2.087 -13.260 -6.229 1.00 0.00 N ATOM 128 CA ASP A -4 -0.844 -14.061 -6.168 1.00 0.00 C ATOM 129 C ASP A -4 0.286 -13.431 -7.013 1.00 0.00 C ATOM 130 O ASP A -4 1.353 -13.089 -6.485 1.00 0.00 O ATOM 131 CB ASP A -4 -1.143 -15.517 -6.640 1.00 0.00 C ATOM 132 CG ASP A -4 0.112 -16.384 -6.880 1.00 0.00 C ATOM 133 OD1 ASP A -4 0.754 -16.816 -5.899 1.00 0.00 O ATOM 134 OD2 ASP A -4 0.464 -16.634 -8.051 1.00 0.00 O ATOM 0 H ASP A -4 -2.828 -13.708 -6.768 1.00 0.00 H new ATOM 0 HA ASP A -4 -0.496 -14.079 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A -4 -1.769 -16.006 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A -4 -1.721 -15.474 -7.563 1.00 0.00 H new ATOM 139 N ASP A -3 0.040 -13.302 -8.327 1.00 0.00 N ATOM 140 CA ASP A -3 1.067 -12.875 -9.305 1.00 0.00 C ATOM 141 C ASP A -3 1.078 -11.348 -9.496 1.00 0.00 C ATOM 142 O ASP A -3 0.034 -10.715 -9.491 1.00 0.00 O ATOM 143 CB ASP A -3 0.844 -13.589 -10.666 1.00 0.00 C ATOM 144 CG ASP A -3 1.827 -13.125 -11.762 1.00 0.00 C ATOM 145 OD1 ASP A -3 3.057 -13.209 -11.540 1.00 0.00 O ATOM 146 OD2 ASP A -3 1.386 -12.643 -12.824 1.00 0.00 O ATOM 0 H ASP A -3 -0.871 -13.489 -8.745 1.00 0.00 H new ATOM 0 HA ASP A -3 2.040 -13.161 -8.906 1.00 0.00 H new ATOM 0 HB2 ASP A -3 0.947 -14.665 -10.526 1.00 0.00 H new ATOM 0 HB3 ASP A -3 -0.177 -13.407 -11.002 1.00 0.00 H new ATOM 151 N LYS A -2 2.286 -10.778 -9.677 1.00 0.00 N ATOM 152 CA LYS A -2 2.477 -9.340 -9.956 1.00 0.00 C ATOM 153 C LYS A -2 2.467 -9.076 -11.458 1.00 0.00 C ATOM 154 O LYS A -2 1.887 -8.080 -11.879 1.00 0.00 O ATOM 155 CB LYS A -2 3.792 -8.821 -9.312 1.00 0.00 C ATOM 156 CG LYS A -2 5.088 -9.559 -9.722 1.00 0.00 C ATOM 157 CD LYS A -2 6.367 -8.895 -9.150 1.00 0.00 C ATOM 158 CE LYS A -2 6.298 -8.650 -7.627 1.00 0.00 C ATOM 159 NZ LYS A -2 7.580 -8.139 -7.083 1.00 0.00 N ATOM 0 H LYS A -2 3.159 -11.303 -9.634 1.00 0.00 H new ATOM 0 HA LYS A -2 1.646 -8.794 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.904 -7.766 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A -2 3.691 -8.882 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A -2 5.036 -10.592 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A -2 5.155 -9.588 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A -2 7.227 -9.528 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A -2 6.532 -7.944 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A -2 5.503 -7.936 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A -2 6.036 -9.580 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 7.487 -7.989 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 8.335 -8.831 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 7.818 -7.238 -7.544 1.00 0.00 H new ATOM 173 N GLY A -1 3.142 -9.961 -12.240 1.00 0.00 N ATOM 174 CA GLY A -1 3.216 -9.874 -13.716 1.00 0.00 C ATOM 175 C GLY A -1 3.500 -8.474 -14.279 1.00 0.00 C ATOM 176 O GLY A -1 3.053 -8.137 -15.380 1.00 0.00 O ATOM 0 H GLY A -1 3.651 -10.758 -11.857 1.00 0.00 H new ATOM 0 HA2 GLY A -1 3.995 -10.552 -14.065 1.00 0.00 H new ATOM 0 HA3 GLY A -1 2.274 -10.230 -14.132 1.00 0.00 H new ATOM 180 N THR A 0 4.236 -7.663 -13.508 1.00 0.00 N ATOM 181 CA THR A 0 4.463 -6.244 -13.798 1.00 0.00 C ATOM 182 C THR A 0 5.940 -5.967 -14.094 1.00 0.00 C ATOM 183 O THR A 0 6.839 -6.661 -13.593 1.00 0.00 O ATOM 184 CB THR A 0 3.974 -5.355 -12.598 1.00 0.00 C ATOM 185 OG1 THR A 0 4.296 -5.983 -11.341 1.00 0.00 O ATOM 186 CG2 THR A 0 2.466 -5.067 -12.657 1.00 0.00 C ATOM 0 H THR A 0 4.696 -7.980 -12.654 1.00 0.00 H new ATOM 0 HA THR A 0 3.886 -5.988 -14.687 1.00 0.00 H new ATOM 0 HB THR A 0 4.497 -4.402 -12.680 1.00 0.00 H new ATOM 0 HG1 THR A 0 5.184 -5.691 -11.047 1.00 0.00 H new ATOM 0 HG21 THR A 0 2.180 -4.449 -11.806 1.00 0.00 H new ATOM 0 HG22 THR A 0 2.232 -4.540 -13.582 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.915 -6.007 -12.625 1.00 0.00 H new ATOM 194 N MET A 1 6.163 -4.938 -14.922 1.00 0.00 N ATOM 195 CA MET A 1 7.492 -4.401 -15.226 1.00 0.00 C ATOM 196 C MET A 1 7.439 -2.868 -15.134 1.00 0.00 C ATOM 197 O MET A 1 6.458 -2.247 -15.558 1.00 0.00 O ATOM 198 CB MET A 1 7.984 -4.869 -16.625 1.00 0.00 C ATOM 199 CG MET A 1 7.192 -4.337 -17.814 1.00 0.00 C ATOM 200 SD MET A 1 7.877 -4.867 -19.394 1.00 0.00 S ATOM 201 CE MET A 1 6.816 -3.988 -20.530 1.00 0.00 C ATOM 0 H MET A 1 5.411 -4.448 -15.407 1.00 0.00 H new ATOM 0 HA MET A 1 8.210 -4.780 -14.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.026 -4.570 -16.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.959 -5.958 -16.653 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.159 -4.675 -17.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.175 -3.248 -17.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.114 -4.213 -21.554 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.782 -4.298 -20.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.903 -2.916 -20.354 1.00 0.00 H new ATOM 211 N GLU A 2 8.479 -2.260 -14.550 1.00 0.00 N ATOM 212 CA GLU A 2 8.532 -0.803 -14.331 1.00 0.00 C ATOM 213 C GLU A 2 9.564 -0.165 -15.270 1.00 0.00 C ATOM 214 O GLU A 2 10.736 -0.511 -15.232 1.00 0.00 O ATOM 215 CB GLU A 2 8.856 -0.500 -12.851 1.00 0.00 C ATOM 216 CG GLU A 2 8.655 0.972 -12.465 1.00 0.00 C ATOM 217 CD GLU A 2 9.031 1.284 -11.011 1.00 0.00 C ATOM 218 OE1 GLU A 2 10.171 0.984 -10.599 1.00 0.00 O ATOM 219 OE2 GLU A 2 8.208 1.858 -10.280 1.00 0.00 O ATOM 0 H GLU A 2 9.305 -2.758 -14.217 1.00 0.00 H new ATOM 0 HA GLU A 2 7.558 -0.370 -14.558 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.226 -1.122 -12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.890 -0.782 -12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.253 1.597 -13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.612 1.242 -12.627 1.00 0.00 H new ATOM 226 N LEU A 3 9.113 0.783 -16.097 1.00 0.00 N ATOM 227 CA LEU A 3 9.926 1.381 -17.169 1.00 0.00 C ATOM 228 C LEU A 3 10.416 2.779 -16.777 1.00 0.00 C ATOM 229 O LEU A 3 9.703 3.513 -16.090 1.00 0.00 O ATOM 230 CB LEU A 3 9.068 1.478 -18.444 1.00 0.00 C ATOM 231 CG LEU A 3 8.388 0.156 -18.898 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.324 0.443 -19.954 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.418 -0.871 -19.415 1.00 0.00 C ATOM 0 H LEU A 3 8.168 1.162 -16.044 1.00 0.00 H new ATOM 0 HA LEU A 3 10.799 0.752 -17.341 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.293 2.227 -18.283 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.697 1.840 -19.257 1.00 0.00 H new ATOM 0 HG LEU A 3 7.905 -0.286 -18.027 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.856 -0.492 -20.263 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.567 1.107 -19.537 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.788 0.919 -20.818 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.902 -1.781 -19.722 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.953 -0.452 -20.267 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.127 -1.107 -18.621 1.00 0.00 H new ATOM 245 N GLU A 4 11.619 3.145 -17.240 1.00 0.00 N ATOM 246 CA GLU A 4 12.155 4.503 -17.097 1.00 0.00 C ATOM 247 C GLU A 4 11.705 5.346 -18.309 1.00 0.00 C ATOM 248 O GLU A 4 12.342 5.318 -19.363 1.00 0.00 O ATOM 249 CB GLU A 4 13.703 4.471 -16.962 1.00 0.00 C ATOM 250 CG GLU A 4 14.363 5.860 -16.800 1.00 0.00 C ATOM 251 CD GLU A 4 15.905 5.810 -16.763 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.524 5.534 -17.818 1.00 0.00 O ATOM 253 OE2 GLU A 4 16.506 6.062 -15.698 1.00 0.00 O ATOM 0 H GLU A 4 12.248 2.505 -17.725 1.00 0.00 H new ATOM 0 HA GLU A 4 11.767 4.961 -16.187 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.967 3.855 -16.102 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.122 3.985 -17.843 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.048 6.501 -17.623 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.000 6.320 -15.881 1.00 0.00 H new ATOM 260 N LEU A 5 10.608 6.096 -18.172 1.00 0.00 N ATOM 261 CA LEU A 5 10.035 6.858 -19.284 1.00 0.00 C ATOM 262 C LEU A 5 10.611 8.262 -19.285 1.00 0.00 C ATOM 263 O LEU A 5 10.260 9.099 -18.452 1.00 0.00 O ATOM 264 CB LEU A 5 8.497 6.901 -19.196 1.00 0.00 C ATOM 265 CG LEU A 5 7.779 5.527 -19.116 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.264 5.721 -19.182 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.269 4.553 -20.208 1.00 0.00 C ATOM 0 H LEU A 5 10.096 6.192 -17.295 1.00 0.00 H new ATOM 0 HA LEU A 5 10.295 6.362 -20.219 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.220 7.485 -18.318 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.118 7.436 -20.067 1.00 0.00 H new ATOM 0 HG LEU A 5 8.031 5.072 -18.158 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.770 4.751 -19.125 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.940 6.343 -18.347 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.000 6.208 -20.121 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.740 3.605 -20.114 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.074 4.981 -21.191 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.339 4.384 -20.091 1.00 0.00 H new ATOM 279 N ARG A 6 11.535 8.485 -20.214 1.00 0.00 N ATOM 280 CA ARG A 6 12.264 9.733 -20.331 1.00 0.00 C ATOM 281 C ARG A 6 11.560 10.619 -21.362 1.00 0.00 C ATOM 282 O ARG A 6 11.451 10.253 -22.522 1.00 0.00 O ATOM 283 CB ARG A 6 13.741 9.442 -20.728 1.00 0.00 C ATOM 284 CG ARG A 6 14.375 8.260 -19.946 1.00 0.00 C ATOM 285 CD ARG A 6 15.900 8.180 -20.088 1.00 0.00 C ATOM 286 NE ARG A 6 16.557 9.324 -19.425 1.00 0.00 N ATOM 287 CZ ARG A 6 17.499 9.230 -18.467 1.00 0.00 C ATOM 288 NH1 ARG A 6 17.927 8.051 -18.041 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.983 10.327 -17.912 1.00 0.00 N ATOM 0 H ARG A 6 11.799 7.791 -20.914 1.00 0.00 H new ATOM 0 HA ARG A 6 12.280 10.260 -19.377 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.785 9.226 -21.795 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.337 10.339 -20.560 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.121 8.355 -18.890 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.936 7.326 -20.296 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.260 7.248 -19.653 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.170 8.164 -21.144 1.00 0.00 H new ATOM 0 HE ARG A 6 16.275 10.260 -19.716 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.542 7.194 -18.439 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.641 8.000 -17.315 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.643 11.242 -18.209 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.696 10.259 -17.186 1.00 0.00 H new ATOM 303 N PHE A 7 11.064 11.769 -20.907 1.00 0.00 N ATOM 304 CA PHE A 7 10.373 12.763 -21.739 1.00 0.00 C ATOM 305 C PHE A 7 11.292 13.953 -21.950 1.00 0.00 C ATOM 306 O PHE A 7 11.946 14.418 -21.008 1.00 0.00 O ATOM 307 CB PHE A 7 9.052 13.207 -21.060 1.00 0.00 C ATOM 308 CG PHE A 7 8.079 12.062 -20.835 1.00 0.00 C ATOM 309 CD1 PHE A 7 7.165 11.697 -21.821 1.00 0.00 C ATOM 310 CD2 PHE A 7 8.099 11.333 -19.654 1.00 0.00 C ATOM 311 CE1 PHE A 7 6.306 10.637 -21.630 1.00 0.00 C ATOM 312 CE2 PHE A 7 7.237 10.280 -19.467 1.00 0.00 C ATOM 313 CZ PHE A 7 6.345 9.930 -20.453 1.00 0.00 C ATOM 0 H PHE A 7 11.131 12.045 -19.927 1.00 0.00 H new ATOM 0 HA PHE A 7 10.123 12.324 -22.705 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.282 13.673 -20.102 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.572 13.967 -21.677 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.129 12.252 -22.747 1.00 0.00 H new ATOM 0 HD2 PHE A 7 8.799 11.596 -18.875 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.604 10.363 -22.403 1.00 0.00 H new ATOM 0 HE2 PHE A 7 7.260 9.724 -18.541 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.674 9.098 -20.302 1.00 0.00 H new ATOM 323 N PHE A 8 11.354 14.437 -23.194 1.00 0.00 N ATOM 324 CA PHE A 8 12.203 15.573 -23.571 1.00 0.00 C ATOM 325 C PHE A 8 11.366 16.628 -24.301 1.00 0.00 C ATOM 326 O PHE A 8 10.243 16.341 -24.751 1.00 0.00 O ATOM 327 CB PHE A 8 13.392 15.091 -24.436 1.00 0.00 C ATOM 328 CG PHE A 8 14.266 14.048 -23.733 1.00 0.00 C ATOM 329 CD1 PHE A 8 15.166 14.428 -22.733 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.182 12.696 -24.061 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.933 13.482 -22.073 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.948 11.758 -23.410 1.00 0.00 C ATOM 333 CZ PHE A 8 15.834 12.149 -22.421 1.00 0.00 C ATOM 0 H PHE A 8 10.816 14.052 -23.970 1.00 0.00 H new ATOM 0 HA PHE A 8 12.615 16.031 -22.672 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.009 14.668 -25.365 1.00 0.00 H new ATOM 0 HB3 PHE A 8 14.008 15.949 -24.706 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.264 15.471 -22.472 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.504 12.380 -24.840 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.608 13.787 -21.287 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.858 10.714 -23.671 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.447 11.413 -21.922 1.00 0.00 H new ATOM 343 N ALA A 9 11.907 17.863 -24.332 1.00 0.00 N ATOM 344 CA ALA A 9 11.335 19.015 -25.039 1.00 0.00 C ATOM 345 C ALA A 9 9.892 19.352 -24.547 1.00 0.00 C ATOM 346 O ALA A 9 9.693 19.598 -23.349 1.00 0.00 O ATOM 347 CB ALA A 9 11.437 18.796 -26.559 1.00 0.00 C ATOM 0 H ALA A 9 12.778 18.087 -23.851 1.00 0.00 H new ATOM 0 HA ALA A 9 11.920 19.903 -24.801 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.011 19.654 -27.080 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.484 18.684 -26.841 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.888 17.895 -26.834 1.00 0.00 H new ATOM 353 N THR A 10 8.892 19.326 -25.468 1.00 0.00 N ATOM 354 CA THR A 10 7.489 19.630 -25.161 1.00 0.00 C ATOM 355 C THR A 10 6.850 18.521 -24.306 1.00 0.00 C ATOM 356 O THR A 10 6.192 18.815 -23.311 1.00 0.00 O ATOM 357 CB THR A 10 6.686 19.829 -26.482 1.00 0.00 C ATOM 358 OG1 THR A 10 7.270 20.902 -27.239 1.00 0.00 O ATOM 359 CG2 THR A 10 5.199 20.126 -26.240 1.00 0.00 C ATOM 0 H THR A 10 9.049 19.091 -26.448 1.00 0.00 H new ATOM 0 HA THR A 10 7.460 20.553 -24.582 1.00 0.00 H new ATOM 0 HB THR A 10 6.740 18.891 -27.034 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.767 21.027 -28.071 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.693 20.255 -27.197 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.746 19.296 -25.699 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.101 21.039 -25.652 1.00 0.00 H new ATOM 367 N PHE A 11 7.096 17.243 -24.675 1.00 0.00 N ATOM 368 CA PHE A 11 6.563 16.072 -23.922 1.00 0.00 C ATOM 369 C PHE A 11 7.045 16.092 -22.458 1.00 0.00 C ATOM 370 O PHE A 11 6.346 15.599 -21.573 1.00 0.00 O ATOM 371 CB PHE A 11 6.975 14.726 -24.599 1.00 0.00 C ATOM 372 CG PHE A 11 6.221 14.344 -25.883 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.381 15.238 -26.545 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.354 13.059 -26.423 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.711 14.860 -27.693 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.682 12.690 -27.573 1.00 0.00 C ATOM 377 CZ PHE A 11 4.857 13.589 -28.202 1.00 0.00 C ATOM 0 H PHE A 11 7.659 16.991 -25.488 1.00 0.00 H new ATOM 0 HA PHE A 11 5.476 16.146 -23.935 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.039 14.772 -24.830 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.840 13.924 -23.873 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.252 16.237 -26.156 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.994 12.342 -25.931 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.068 15.567 -28.195 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.806 11.696 -27.976 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.323 13.300 -29.095 1.00 0.00 H new ATOM 387 N ARG A 12 8.230 16.693 -22.229 1.00 0.00 N ATOM 388 CA ARG A 12 8.807 16.818 -20.884 1.00 0.00 C ATOM 389 C ARG A 12 7.951 17.731 -19.996 1.00 0.00 C ATOM 390 O ARG A 12 7.575 17.338 -18.894 1.00 0.00 O ATOM 391 CB ARG A 12 10.247 17.364 -20.929 1.00 0.00 C ATOM 392 CG ARG A 12 10.957 17.367 -19.552 1.00 0.00 C ATOM 393 CD ARG A 12 12.237 18.211 -19.526 1.00 0.00 C ATOM 394 NE ARG A 12 11.937 19.653 -19.478 1.00 0.00 N ATOM 395 CZ ARG A 12 12.695 20.631 -19.989 1.00 0.00 C ATOM 396 NH1 ARG A 12 13.753 20.365 -20.743 1.00 0.00 N ATOM 397 NH2 ARG A 12 12.360 21.887 -19.762 1.00 0.00 N ATOM 0 H ARG A 12 8.806 17.100 -22.966 1.00 0.00 H new ATOM 0 HA ARG A 12 8.826 15.815 -20.459 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.831 16.765 -21.627 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.228 18.381 -21.320 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.267 17.744 -18.797 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.202 16.341 -19.276 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.838 17.935 -18.659 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.835 17.993 -20.411 1.00 0.00 H new ATOM 0 HE ARG A 12 11.073 19.931 -19.013 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.005 19.397 -20.945 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.315 21.128 -21.121 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.534 22.102 -19.204 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.928 22.643 -20.145 1.00 0.00 H new ATOM 411 N GLU A 13 7.648 18.952 -20.497 1.00 0.00 N ATOM 412 CA GLU A 13 6.936 19.987 -19.710 1.00 0.00 C ATOM 413 C GLU A 13 5.442 19.654 -19.550 1.00 0.00 C ATOM 414 O GLU A 13 4.806 20.072 -18.573 1.00 0.00 O ATOM 415 CB GLU A 13 7.175 21.416 -20.302 1.00 0.00 C ATOM 416 CG GLU A 13 6.767 21.648 -21.786 1.00 0.00 C ATOM 417 CD GLU A 13 5.259 21.874 -22.031 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.602 22.540 -21.206 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.732 21.434 -23.075 1.00 0.00 O ATOM 0 H GLU A 13 7.886 19.245 -21.445 1.00 0.00 H new ATOM 0 HA GLU A 13 7.358 19.989 -18.705 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.631 22.132 -19.686 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.235 21.650 -20.202 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.313 22.512 -22.164 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.088 20.787 -22.372 1.00 0.00 H new ATOM 426 N VAL A 14 4.902 18.903 -20.521 1.00 0.00 N ATOM 427 CA VAL A 14 3.549 18.321 -20.442 1.00 0.00 C ATOM 428 C VAL A 14 3.430 17.396 -19.219 1.00 0.00 C ATOM 429 O VAL A 14 2.508 17.528 -18.403 1.00 0.00 O ATOM 430 CB VAL A 14 3.202 17.527 -21.755 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.960 16.641 -21.557 1.00 0.00 C ATOM 432 CG2 VAL A 14 3.011 18.477 -22.964 1.00 0.00 C ATOM 0 H VAL A 14 5.391 18.680 -21.388 1.00 0.00 H new ATOM 0 HA VAL A 14 2.837 19.139 -20.335 1.00 0.00 H new ATOM 0 HB VAL A 14 4.051 16.879 -21.974 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.745 16.105 -22.481 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.148 15.925 -20.757 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.106 17.265 -21.292 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.773 17.892 -23.852 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.196 19.170 -22.757 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.930 19.038 -23.135 1.00 0.00 H new ATOM 442 N VAL A 15 4.381 16.463 -19.115 1.00 0.00 N ATOM 443 CA VAL A 15 4.466 15.519 -17.994 1.00 0.00 C ATOM 444 C VAL A 15 4.996 16.245 -16.729 1.00 0.00 C ATOM 445 O VAL A 15 4.711 15.834 -15.599 1.00 0.00 O ATOM 446 CB VAL A 15 5.351 14.276 -18.406 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.515 13.251 -17.260 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.749 13.584 -19.657 1.00 0.00 C ATOM 0 H VAL A 15 5.118 16.340 -19.809 1.00 0.00 H new ATOM 0 HA VAL A 15 3.475 15.138 -17.748 1.00 0.00 H new ATOM 0 HB VAL A 15 6.346 14.657 -18.637 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.132 12.420 -17.601 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.994 13.732 -16.407 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.535 12.878 -16.963 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.366 12.729 -19.932 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.738 13.244 -19.434 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.719 14.292 -20.485 1.00 0.00 H new ATOM 458 N GLY A 16 5.701 17.376 -16.955 1.00 0.00 N ATOM 459 CA GLY A 16 6.395 18.132 -15.900 1.00 0.00 C ATOM 460 C GLY A 16 7.597 17.390 -15.333 1.00 0.00 C ATOM 461 O GLY A 16 8.190 17.809 -14.331 1.00 0.00 O ATOM 0 H GLY A 16 5.802 17.789 -17.882 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.723 19.090 -16.303 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.694 18.348 -15.094 1.00 0.00 H new ATOM 465 N GLN A 17 7.981 16.301 -16.023 1.00 0.00 N ATOM 466 CA GLN A 17 8.918 15.289 -15.518 1.00 0.00 C ATOM 467 C GLN A 17 9.750 14.762 -16.707 1.00 0.00 C ATOM 468 O GLN A 17 9.194 14.520 -17.784 1.00 0.00 O ATOM 469 CB GLN A 17 8.139 14.128 -14.828 1.00 0.00 C ATOM 470 CG GLN A 17 7.099 14.563 -13.752 1.00 0.00 C ATOM 471 CD GLN A 17 6.325 13.419 -13.087 1.00 0.00 C ATOM 472 OE1 GLN A 17 5.921 12.424 -13.863 1.00 0.00 O flip ATOM 473 NE2 GLN A 17 6.029 13.467 -11.893 1.00 0.00 N flip ATOM 0 H GLN A 17 7.641 16.099 -16.963 1.00 0.00 H new ATOM 0 HA GLN A 17 9.582 15.729 -14.774 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.622 13.554 -15.597 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.860 13.457 -14.361 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.618 15.127 -12.977 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.384 15.242 -14.216 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.353 14.245 -11.318 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.459 12.729 -11.479 1.00 0.00 H new ATOM 482 N LYS A 18 11.068 14.576 -16.497 1.00 0.00 N ATOM 483 CA LYS A 18 12.030 14.306 -17.593 1.00 0.00 C ATOM 484 C LYS A 18 12.406 12.815 -17.714 1.00 0.00 C ATOM 485 O LYS A 18 12.789 12.376 -18.796 1.00 0.00 O ATOM 486 CB LYS A 18 13.310 15.157 -17.409 1.00 0.00 C ATOM 487 CG LYS A 18 14.119 14.848 -16.128 1.00 0.00 C ATOM 488 CD LYS A 18 15.426 15.664 -16.050 1.00 0.00 C ATOM 489 CE LYS A 18 16.383 15.387 -17.227 1.00 0.00 C ATOM 490 NZ LYS A 18 17.646 16.157 -17.124 1.00 0.00 N ATOM 0 H LYS A 18 11.497 14.608 -15.572 1.00 0.00 H new ATOM 0 HA LYS A 18 11.528 14.585 -18.520 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.956 15.007 -18.274 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.030 16.210 -17.399 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.506 15.064 -15.253 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.355 13.784 -16.098 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.183 16.726 -16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.935 15.435 -15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.612 14.322 -17.262 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.884 15.637 -18.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.255 15.936 -17.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.433 17.175 -17.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.138 15.901 -16.244 1.00 0.00 H new ATOM 504 N SER A 19 12.376 12.071 -16.596 1.00 0.00 N ATOM 505 CA SER A 19 12.614 10.610 -16.575 1.00 0.00 C ATOM 506 C SER A 19 11.904 10.045 -15.339 1.00 0.00 C ATOM 507 O SER A 19 12.285 10.368 -14.205 1.00 0.00 O ATOM 508 CB SER A 19 14.122 10.243 -16.497 1.00 0.00 C ATOM 509 OG SER A 19 14.918 10.994 -17.410 1.00 0.00 O ATOM 0 H SER A 19 12.185 12.464 -15.674 1.00 0.00 H new ATOM 0 HA SER A 19 12.231 10.188 -17.504 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.481 10.414 -15.482 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.244 9.180 -16.704 1.00 0.00 H new ATOM 0 HG SER A 19 15.760 11.249 -16.977 1.00 0.00 H new ATOM 515 N ILE A 20 10.871 9.229 -15.554 1.00 0.00 N ATOM 516 CA ILE A 20 10.019 8.700 -14.470 1.00 0.00 C ATOM 517 C ILE A 20 10.032 7.179 -14.466 1.00 0.00 C ATOM 518 O ILE A 20 10.557 6.560 -15.381 1.00 0.00 O ATOM 519 CB ILE A 20 8.545 9.214 -14.627 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.908 8.701 -15.949 1.00 0.00 C ATOM 521 CG2 ILE A 20 8.530 10.744 -14.584 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.482 9.169 -16.200 1.00 0.00 C ATOM 0 H ILE A 20 10.595 8.912 -16.483 1.00 0.00 H new ATOM 0 HA ILE A 20 10.422 9.058 -13.523 1.00 0.00 H new ATOM 0 HB ILE A 20 7.951 8.823 -13.801 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.532 9.022 -16.783 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.921 7.611 -15.942 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.506 11.101 -14.693 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.934 11.085 -13.631 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.140 11.137 -15.398 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.126 8.759 -17.145 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.838 8.826 -15.390 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.459 10.258 -16.245 1.00 0.00 H new ATOM 534 N TYR A 21 9.452 6.593 -13.422 1.00 0.00 N ATOM 535 CA TYR A 21 9.213 5.151 -13.339 1.00 0.00 C ATOM 536 C TYR A 21 7.700 4.897 -13.410 1.00 0.00 C ATOM 537 O TYR A 21 6.929 5.455 -12.623 1.00 0.00 O ATOM 538 CB TYR A 21 9.835 4.573 -12.044 1.00 0.00 C ATOM 539 CG TYR A 21 11.361 4.333 -12.064 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.167 4.591 -13.187 1.00 0.00 C ATOM 541 CD2 TYR A 21 11.989 3.818 -10.931 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.533 4.355 -13.154 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.345 3.583 -10.899 1.00 0.00 C ATOM 544 CZ TYR A 21 14.114 3.845 -12.007 1.00 0.00 C ATOM 545 OH TYR A 21 15.473 3.614 -11.967 1.00 0.00 O ATOM 0 H TYR A 21 9.131 7.108 -12.602 1.00 0.00 H new ATOM 0 HA TYR A 21 9.692 4.642 -14.175 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.606 5.252 -11.222 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.343 3.626 -11.821 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.716 4.979 -14.088 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.396 3.598 -10.056 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.141 4.569 -14.021 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.804 3.193 -10.003 1.00 0.00 H new ATOM 0 HH TYR A 21 15.718 3.256 -11.088 1.00 0.00 H new ATOM 555 N TRP A 22 7.294 4.051 -14.365 1.00 0.00 N ATOM 556 CA TRP A 22 5.882 3.739 -14.647 1.00 0.00 C ATOM 557 C TRP A 22 5.670 2.235 -14.498 1.00 0.00 C ATOM 558 O TRP A 22 6.331 1.446 -15.181 1.00 0.00 O ATOM 559 CB TRP A 22 5.521 4.193 -16.095 1.00 0.00 C ATOM 560 CG TRP A 22 4.437 5.235 -16.199 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.386 6.440 -15.569 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.272 5.174 -17.033 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.274 7.134 -15.970 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.572 6.376 -16.868 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.767 4.210 -17.904 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.392 6.645 -17.553 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.595 4.470 -18.572 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.922 5.682 -18.394 1.00 0.00 C ATOM 0 H TRP A 22 7.945 3.555 -14.974 1.00 0.00 H new ATOM 0 HA TRP A 22 5.237 4.268 -13.946 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.422 4.583 -16.570 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.214 3.317 -16.665 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.115 6.797 -14.857 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.012 8.066 -15.650 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.288 3.275 -18.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.869 7.581 -17.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.188 3.728 -19.243 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.006 5.860 -18.937 1.00 0.00 H new ATOM 579 N ARG A 23 4.737 1.849 -13.629 1.00 0.00 N ATOM 580 CA ARG A 23 4.386 0.442 -13.429 1.00 0.00 C ATOM 581 C ARG A 23 3.380 0.019 -14.514 1.00 0.00 C ATOM 582 O ARG A 23 2.227 0.455 -14.498 1.00 0.00 O ATOM 583 CB ARG A 23 3.782 0.203 -12.021 1.00 0.00 C ATOM 584 CG ARG A 23 3.550 -1.297 -11.707 1.00 0.00 C ATOM 585 CD ARG A 23 4.810 -2.013 -11.182 1.00 0.00 C ATOM 586 NE ARG A 23 4.960 -1.846 -9.725 1.00 0.00 N ATOM 587 CZ ARG A 23 4.694 -2.795 -8.809 1.00 0.00 C ATOM 588 NH1 ARG A 23 4.317 -4.015 -9.181 1.00 0.00 N ATOM 589 NH2 ARG A 23 4.814 -2.518 -7.525 1.00 0.00 N ATOM 0 H ARG A 23 4.206 2.497 -13.047 1.00 0.00 H new ATOM 0 HA ARG A 23 5.293 -0.158 -13.504 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.448 0.627 -11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.834 0.735 -11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.755 -1.387 -10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.204 -1.801 -12.610 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.754 -3.074 -11.424 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.691 -1.618 -11.687 1.00 0.00 H new ATOM 0 HE ARG A 23 5.290 -0.943 -9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.226 -4.241 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.119 -4.725 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.108 -1.587 -7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.613 -3.235 -6.828 1.00 0.00 H new ATOM 603 N VAL A 24 3.840 -0.780 -15.484 1.00 0.00 N ATOM 604 CA VAL A 24 2.979 -1.378 -16.522 1.00 0.00 C ATOM 605 C VAL A 24 3.010 -2.915 -16.395 1.00 0.00 C ATOM 606 O VAL A 24 3.660 -3.460 -15.496 1.00 0.00 O ATOM 607 CB VAL A 24 3.415 -0.932 -17.977 1.00 0.00 C ATOM 608 CG1 VAL A 24 3.396 0.613 -18.132 1.00 0.00 C ATOM 609 CG2 VAL A 24 4.797 -1.510 -18.360 1.00 0.00 C ATOM 0 H VAL A 24 4.824 -1.034 -15.575 1.00 0.00 H new ATOM 0 HA VAL A 24 1.961 -1.020 -16.368 1.00 0.00 H new ATOM 0 HB VAL A 24 2.681 -1.343 -18.670 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.701 0.881 -19.144 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.388 0.985 -17.946 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.085 1.059 -17.415 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.063 -1.182 -19.365 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.548 -1.157 -17.653 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.756 -2.599 -18.332 1.00 0.00 H new ATOM 619 N ASP A 25 2.276 -3.600 -17.278 1.00 0.00 N ATOM 620 CA ASP A 25 2.269 -5.074 -17.359 1.00 0.00 C ATOM 621 C ASP A 25 3.480 -5.576 -18.149 1.00 0.00 C ATOM 622 O ASP A 25 4.071 -4.836 -18.937 1.00 0.00 O ATOM 623 CB ASP A 25 0.978 -5.568 -18.059 1.00 0.00 C ATOM 624 CG ASP A 25 -0.300 -5.171 -17.312 1.00 0.00 C ATOM 625 OD1 ASP A 25 -0.648 -3.969 -17.305 1.00 0.00 O ATOM 626 OD2 ASP A 25 -0.968 -6.051 -16.737 1.00 0.00 O ATOM 0 H ASP A 25 1.666 -3.151 -17.961 1.00 0.00 H new ATOM 0 HA ASP A 25 2.310 -5.465 -16.343 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.942 -5.162 -19.070 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.015 -6.653 -18.152 1.00 0.00 H new ATOM 631 N ASP A 26 3.818 -6.855 -17.940 1.00 0.00 N ATOM 632 CA ASP A 26 4.789 -7.592 -18.778 1.00 0.00 C ATOM 633 C ASP A 26 4.258 -7.733 -20.230 1.00 0.00 C ATOM 634 O ASP A 26 5.033 -7.811 -21.187 1.00 0.00 O ATOM 635 CB ASP A 26 5.064 -8.989 -18.148 1.00 0.00 C ATOM 636 CG ASP A 26 5.839 -9.959 -19.069 1.00 0.00 C ATOM 637 OD1 ASP A 26 7.039 -9.739 -19.315 1.00 0.00 O ATOM 638 OD2 ASP A 26 5.245 -10.942 -19.563 1.00 0.00 O ATOM 0 H ASP A 26 3.427 -7.415 -17.183 1.00 0.00 H new ATOM 0 HA ASP A 26 5.725 -7.034 -18.819 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.628 -8.854 -17.225 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.112 -9.446 -17.876 1.00 0.00 H new ATOM 643 N ASP A 27 2.921 -7.702 -20.365 1.00 0.00 N ATOM 644 CA ASP A 27 2.210 -7.843 -21.652 1.00 0.00 C ATOM 645 C ASP A 27 2.215 -6.508 -22.422 1.00 0.00 C ATOM 646 O ASP A 27 2.092 -6.489 -23.655 1.00 0.00 O ATOM 647 CB ASP A 27 0.753 -8.292 -21.355 1.00 0.00 C ATOM 648 CG ASP A 27 -0.160 -8.404 -22.593 1.00 0.00 C ATOM 649 OD1 ASP A 27 -0.156 -9.454 -23.262 1.00 0.00 O ATOM 650 OD2 ASP A 27 -0.897 -7.444 -22.892 1.00 0.00 O ATOM 0 H ASP A 27 2.292 -7.576 -19.572 1.00 0.00 H new ATOM 0 HA ASP A 27 2.711 -8.586 -22.273 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.782 -9.260 -20.855 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.306 -7.585 -20.656 1.00 0.00 H new ATOM 655 N ALA A 28 2.387 -5.401 -21.677 1.00 0.00 N ATOM 656 CA ALA A 28 2.452 -4.048 -22.246 1.00 0.00 C ATOM 657 C ALA A 28 3.766 -3.850 -23.023 1.00 0.00 C ATOM 658 O ALA A 28 4.769 -4.504 -22.740 1.00 0.00 O ATOM 659 CB ALA A 28 2.316 -3.001 -21.127 1.00 0.00 C ATOM 0 H ALA A 28 2.485 -5.423 -20.662 1.00 0.00 H new ATOM 0 HA ALA A 28 1.626 -3.920 -22.945 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.365 -2.001 -21.557 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.360 -3.132 -20.621 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.127 -3.128 -20.410 1.00 0.00 H new ATOM 665 N THR A 29 3.730 -2.965 -24.024 1.00 0.00 N ATOM 666 CA THR A 29 4.915 -2.545 -24.803 1.00 0.00 C ATOM 667 C THR A 29 4.849 -1.015 -25.017 1.00 0.00 C ATOM 668 O THR A 29 3.954 -0.369 -24.465 1.00 0.00 O ATOM 669 CB THR A 29 5.016 -3.284 -26.179 1.00 0.00 C ATOM 670 OG1 THR A 29 3.839 -3.016 -26.954 1.00 0.00 O ATOM 671 CG2 THR A 29 5.180 -4.805 -26.026 1.00 0.00 C ATOM 0 H THR A 29 2.868 -2.510 -24.326 1.00 0.00 H new ATOM 0 HA THR A 29 5.809 -2.813 -24.240 1.00 0.00 H new ATOM 0 HB THR A 29 5.907 -2.906 -26.681 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.049 -2.360 -27.651 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.245 -5.265 -27.012 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.090 -5.018 -25.466 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.321 -5.212 -25.492 1.00 0.00 H new ATOM 679 N VAL A 30 5.801 -0.453 -25.813 1.00 0.00 N ATOM 680 CA VAL A 30 5.938 1.018 -26.041 1.00 0.00 C ATOM 681 C VAL A 30 4.593 1.655 -26.461 1.00 0.00 C ATOM 682 O VAL A 30 4.257 2.747 -26.012 1.00 0.00 O ATOM 683 CB VAL A 30 7.052 1.350 -27.115 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.178 2.877 -27.377 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.423 0.757 -26.711 1.00 0.00 C ATOM 0 H VAL A 30 6.496 -1.005 -26.315 1.00 0.00 H new ATOM 0 HA VAL A 30 6.245 1.450 -25.089 1.00 0.00 H new ATOM 0 HB VAL A 30 6.734 0.880 -28.046 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.955 3.056 -28.121 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.227 3.263 -27.745 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.441 3.385 -26.449 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.164 1.004 -27.471 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.732 1.175 -25.753 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.340 -0.326 -26.624 1.00 0.00 H new ATOM 695 N GLY A 31 3.808 0.900 -27.246 1.00 0.00 N ATOM 696 CA GLY A 31 2.517 1.348 -27.747 1.00 0.00 C ATOM 697 C GLY A 31 1.474 1.507 -26.654 1.00 0.00 C ATOM 698 O GLY A 31 0.760 2.507 -26.616 1.00 0.00 O ATOM 0 H GLY A 31 4.060 -0.041 -27.547 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.644 2.301 -28.260 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.154 0.634 -28.486 1.00 0.00 H new ATOM 702 N ASP A 32 1.402 0.502 -25.769 1.00 0.00 N ATOM 703 CA ASP A 32 0.526 0.512 -24.577 1.00 0.00 C ATOM 704 C ASP A 32 0.908 1.653 -23.618 1.00 0.00 C ATOM 705 O ASP A 32 0.041 2.264 -22.981 1.00 0.00 O ATOM 706 CB ASP A 32 0.616 -0.840 -23.826 1.00 0.00 C ATOM 707 CG ASP A 32 0.196 -2.034 -24.691 1.00 0.00 C ATOM 708 OD1 ASP A 32 -1.007 -2.371 -24.714 1.00 0.00 O ATOM 709 OD2 ASP A 32 1.068 -2.624 -25.377 1.00 0.00 O ATOM 0 H ASP A 32 1.954 -0.351 -25.857 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.496 0.669 -24.921 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.639 -0.990 -23.481 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.017 -0.800 -22.940 1.00 0.00 H new ATOM 714 N VAL A 33 2.221 1.924 -23.547 1.00 0.00 N ATOM 715 CA VAL A 33 2.802 2.975 -22.700 1.00 0.00 C ATOM 716 C VAL A 33 2.307 4.360 -23.134 1.00 0.00 C ATOM 717 O VAL A 33 1.603 5.016 -22.371 1.00 0.00 O ATOM 718 CB VAL A 33 4.374 2.885 -22.750 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.065 4.104 -22.106 1.00 0.00 C ATOM 720 CG2 VAL A 33 4.856 1.572 -22.101 1.00 0.00 C ATOM 0 H VAL A 33 2.919 1.410 -24.085 1.00 0.00 H new ATOM 0 HA VAL A 33 2.479 2.824 -21.670 1.00 0.00 H new ATOM 0 HB VAL A 33 4.661 2.890 -23.802 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.147 3.985 -22.170 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.768 5.011 -22.632 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.770 4.179 -21.059 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.944 1.524 -22.143 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.531 1.539 -21.061 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.434 0.724 -22.640 1.00 0.00 H new ATOM 730 N LEU A 34 2.598 4.752 -24.389 1.00 0.00 N ATOM 731 CA LEU A 34 2.216 6.083 -24.909 1.00 0.00 C ATOM 732 C LEU A 34 0.681 6.217 -25.044 1.00 0.00 C ATOM 733 O LEU A 34 0.133 7.311 -24.883 1.00 0.00 O ATOM 734 CB LEU A 34 3.027 6.472 -26.197 1.00 0.00 C ATOM 735 CG LEU A 34 3.240 5.408 -27.323 1.00 0.00 C ATOM 736 CD1 LEU A 34 1.971 5.150 -28.145 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.427 5.802 -28.241 1.00 0.00 C ATOM 0 H LEU A 34 3.095 4.169 -25.062 1.00 0.00 H new ATOM 0 HA LEU A 34 2.505 6.833 -24.172 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.530 7.331 -26.649 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.012 6.807 -25.874 1.00 0.00 H new ATOM 0 HG LEU A 34 3.483 4.470 -26.824 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.179 4.403 -28.911 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.180 4.786 -27.489 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.650 6.077 -28.620 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.554 5.046 -29.016 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.223 6.767 -28.705 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.339 5.871 -27.648 1.00 0.00 H new ATOM 749 N ARG A 35 -0.003 5.088 -25.303 1.00 0.00 N ATOM 750 CA ARG A 35 -1.479 5.019 -25.257 1.00 0.00 C ATOM 751 C ARG A 35 -2.017 5.486 -23.890 1.00 0.00 C ATOM 752 O ARG A 35 -2.935 6.308 -23.807 1.00 0.00 O ATOM 753 CB ARG A 35 -1.967 3.569 -25.592 1.00 0.00 C ATOM 754 CG ARG A 35 -3.443 3.219 -25.232 1.00 0.00 C ATOM 755 CD ARG A 35 -4.455 4.278 -25.708 1.00 0.00 C ATOM 756 NE ARG A 35 -5.836 3.997 -25.280 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.810 4.921 -25.166 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.579 6.206 -25.442 1.00 0.00 N ATOM 759 NH2 ARG A 35 -8.017 4.556 -24.773 1.00 0.00 N ATOM 0 H ARG A 35 0.444 4.205 -25.548 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.877 5.697 -26.012 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.831 3.404 -26.661 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.316 2.864 -25.075 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.699 2.257 -25.675 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.529 3.105 -24.151 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.155 5.254 -25.327 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.424 4.337 -26.796 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.073 3.031 -25.053 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.652 6.504 -25.745 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.330 6.890 -25.350 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.209 3.578 -24.557 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.757 5.252 -24.685 1.00 0.00 H new ATOM 773 N SER A 36 -1.458 4.946 -22.836 1.00 0.00 N ATOM 774 CA SER A 36 -1.884 5.264 -21.476 1.00 0.00 C ATOM 775 C SER A 36 -1.404 6.673 -21.056 1.00 0.00 C ATOM 776 O SER A 36 -2.079 7.349 -20.287 1.00 0.00 O ATOM 777 CB SER A 36 -1.433 4.166 -20.526 1.00 0.00 C ATOM 778 OG SER A 36 -2.004 2.917 -20.884 1.00 0.00 O ATOM 0 H SER A 36 -0.694 4.272 -22.886 1.00 0.00 H new ATOM 0 HA SER A 36 -2.973 5.299 -21.434 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.346 4.091 -20.542 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.720 4.422 -19.506 1.00 0.00 H new ATOM 0 HG SER A 36 -1.469 2.504 -21.594 1.00 0.00 H new ATOM 784 N LEU A 37 -0.226 7.092 -21.569 1.00 0.00 N ATOM 785 CA LEU A 37 0.356 8.430 -21.295 1.00 0.00 C ATOM 786 C LEU A 37 -0.594 9.579 -21.697 1.00 0.00 C ATOM 787 O LEU A 37 -0.652 10.588 -20.998 1.00 0.00 O ATOM 788 CB LEU A 37 1.751 8.616 -21.987 1.00 0.00 C ATOM 789 CG LEU A 37 3.011 8.454 -21.081 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.924 9.346 -19.822 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.270 6.998 -20.715 1.00 0.00 C ATOM 0 H LEU A 37 0.349 6.516 -22.184 1.00 0.00 H new ATOM 0 HA LEU A 37 0.499 8.477 -20.215 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.824 7.897 -22.803 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.779 9.610 -22.434 1.00 0.00 H new ATOM 0 HG LEU A 37 3.866 8.793 -21.666 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.819 9.207 -19.215 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.848 10.391 -20.121 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.044 9.070 -19.241 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.156 6.934 -20.084 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.411 6.600 -20.175 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.429 6.417 -21.624 1.00 0.00 H new ATOM 803 N GLU A 38 -1.308 9.439 -22.834 1.00 0.00 N ATOM 804 CA GLU A 38 -2.311 10.447 -23.263 1.00 0.00 C ATOM 805 C GLU A 38 -3.603 10.347 -22.441 1.00 0.00 C ATOM 806 O GLU A 38 -4.322 11.337 -22.295 1.00 0.00 O ATOM 807 CB GLU A 38 -2.651 10.331 -24.769 1.00 0.00 C ATOM 808 CG GLU A 38 -3.005 8.909 -25.261 1.00 0.00 C ATOM 809 CD GLU A 38 -3.717 8.842 -26.624 1.00 0.00 C ATOM 810 OE1 GLU A 38 -3.359 9.606 -27.545 1.00 0.00 O ATOM 811 OE2 GLU A 38 -4.645 8.015 -26.779 1.00 0.00 O ATOM 0 H GLU A 38 -1.213 8.647 -23.469 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.852 11.420 -23.087 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.490 10.992 -24.987 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.801 10.695 -25.345 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.087 8.324 -25.320 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.640 8.432 -24.514 1.00 0.00 H new ATOM 818 N ALA A 39 -3.906 9.136 -21.947 1.00 0.00 N ATOM 819 CA ALA A 39 -5.074 8.895 -21.082 1.00 0.00 C ATOM 820 C ALA A 39 -4.911 9.633 -19.738 1.00 0.00 C ATOM 821 O ALA A 39 -5.885 10.120 -19.156 1.00 0.00 O ATOM 822 CB ALA A 39 -5.257 7.386 -20.866 1.00 0.00 C ATOM 0 H ALA A 39 -3.352 8.300 -22.134 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.967 9.285 -21.569 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.122 7.212 -20.226 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.413 6.897 -21.828 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.366 6.976 -20.391 1.00 0.00 H new ATOM 828 N GLU A 40 -3.653 9.708 -19.273 1.00 0.00 N ATOM 829 CA GLU A 40 -3.279 10.451 -18.060 1.00 0.00 C ATOM 830 C GLU A 40 -3.187 11.954 -18.361 1.00 0.00 C ATOM 831 O GLU A 40 -3.895 12.771 -17.772 1.00 0.00 O ATOM 832 CB GLU A 40 -1.896 9.979 -17.548 1.00 0.00 C ATOM 833 CG GLU A 40 -1.748 8.482 -17.291 1.00 0.00 C ATOM 834 CD GLU A 40 -2.623 7.945 -16.145 1.00 0.00 C ATOM 835 OE1 GLU A 40 -2.215 8.079 -14.971 1.00 0.00 O ATOM 836 OE2 GLU A 40 -3.705 7.376 -16.406 1.00 0.00 O ATOM 0 H GLU A 40 -2.864 9.252 -19.731 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.043 10.266 -17.305 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.141 10.278 -18.275 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.674 10.509 -16.622 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.996 7.942 -18.205 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.704 8.266 -17.067 1.00 0.00 H new ATOM 843 N TYR A 41 -2.298 12.281 -19.311 1.00 0.00 N ATOM 844 CA TYR A 41 -1.860 13.652 -19.593 1.00 0.00 C ATOM 845 C TYR A 41 -2.614 14.228 -20.802 1.00 0.00 C ATOM 846 O TYR A 41 -2.553 13.663 -21.902 1.00 0.00 O ATOM 847 CB TYR A 41 -0.323 13.685 -19.838 1.00 0.00 C ATOM 848 CG TYR A 41 0.516 13.367 -18.585 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.863 14.373 -17.681 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.950 12.069 -18.308 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.607 14.098 -16.547 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.700 11.789 -17.174 1.00 0.00 C ATOM 853 CZ TYR A 41 2.022 12.808 -16.297 1.00 0.00 C ATOM 854 OH TYR A 41 2.763 12.540 -15.161 1.00 0.00 O ATOM 0 H TYR A 41 -1.857 11.586 -19.914 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.088 14.273 -18.727 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.074 12.969 -20.621 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.045 14.672 -20.209 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.544 15.387 -17.871 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.698 11.269 -18.988 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.862 14.892 -15.860 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.030 10.780 -16.978 1.00 0.00 H new ATOM 0 HH TYR A 41 2.977 11.584 -15.128 1.00 0.00 H new ATOM 864 N ASP A 42 -3.305 15.359 -20.579 1.00 0.00 N ATOM 865 CA ASP A 42 -4.075 16.077 -21.617 1.00 0.00 C ATOM 866 C ASP A 42 -3.145 16.610 -22.721 1.00 0.00 C ATOM 867 O ASP A 42 -3.469 16.529 -23.910 1.00 0.00 O ATOM 868 CB ASP A 42 -4.869 17.250 -20.978 1.00 0.00 C ATOM 869 CG ASP A 42 -5.733 18.031 -21.996 1.00 0.00 C ATOM 870 OD1 ASP A 42 -6.901 17.653 -22.217 1.00 0.00 O ATOM 871 OD2 ASP A 42 -5.241 19.018 -22.590 1.00 0.00 O ATOM 0 H ASP A 42 -3.347 15.808 -19.664 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.776 15.375 -22.069 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.513 16.857 -20.191 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.169 17.937 -20.503 1.00 0.00 H new ATOM 876 N GLY A 43 -1.979 17.130 -22.299 1.00 0.00 N ATOM 877 CA GLY A 43 -1.005 17.737 -23.207 1.00 0.00 C ATOM 878 C GLY A 43 -0.367 16.756 -24.188 1.00 0.00 C ATOM 879 O GLY A 43 0.251 17.190 -25.156 1.00 0.00 O ATOM 0 H GLY A 43 -1.691 17.139 -21.321 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.496 18.530 -23.771 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.218 18.206 -22.617 1.00 0.00 H new ATOM 883 N LEU A 44 -0.488 15.437 -23.908 1.00 0.00 N ATOM 884 CA LEU A 44 0.052 14.361 -24.771 1.00 0.00 C ATOM 885 C LEU A 44 -1.010 13.815 -25.734 1.00 0.00 C ATOM 886 O LEU A 44 -0.651 13.119 -26.678 1.00 0.00 O ATOM 887 CB LEU A 44 0.616 13.190 -23.909 1.00 0.00 C ATOM 888 CG LEU A 44 1.945 13.473 -23.147 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.393 12.267 -22.303 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.061 13.916 -24.115 1.00 0.00 C ATOM 0 H LEU A 44 -0.964 15.089 -23.076 1.00 0.00 H new ATOM 0 HA LEU A 44 0.857 14.802 -25.359 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.143 12.905 -23.180 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.771 12.330 -24.560 1.00 0.00 H new ATOM 0 HG LEU A 44 1.749 14.295 -22.458 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.323 12.508 -21.789 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.623 12.031 -21.568 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.550 11.406 -22.953 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.976 14.106 -23.553 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.242 13.129 -24.847 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.756 14.827 -24.630 1.00 0.00 H new ATOM 902 N ALA A 45 -2.293 14.141 -25.506 1.00 0.00 N ATOM 903 CA ALA A 45 -3.418 13.515 -26.241 1.00 0.00 C ATOM 904 C ALA A 45 -3.306 13.711 -27.773 1.00 0.00 C ATOM 905 O ALA A 45 -3.224 14.846 -28.261 1.00 0.00 O ATOM 906 CB ALA A 45 -4.756 14.054 -25.711 1.00 0.00 C ATOM 0 H ALA A 45 -2.583 14.836 -24.818 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.371 12.441 -26.063 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.577 13.589 -26.256 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.847 13.821 -24.650 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.794 15.134 -25.850 1.00 0.00 H new ATOM 912 N GLY A 46 -3.251 12.572 -28.499 1.00 0.00 N ATOM 913 CA GLY A 46 -3.235 12.545 -29.965 1.00 0.00 C ATOM 914 C GLY A 46 -1.836 12.652 -30.590 1.00 0.00 C ATOM 915 O GLY A 46 -1.601 12.123 -31.674 1.00 0.00 O ATOM 0 H GLY A 46 -3.217 11.645 -28.075 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.700 11.619 -30.304 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.849 13.365 -30.337 1.00 0.00 H new ATOM 919 N ARG A 47 -0.891 13.310 -29.895 1.00 0.00 N ATOM 920 CA ARG A 47 0.423 13.692 -30.479 1.00 0.00 C ATOM 921 C ARG A 47 1.512 12.619 -30.272 1.00 0.00 C ATOM 922 O ARG A 47 2.665 12.820 -30.674 1.00 0.00 O ATOM 923 CB ARG A 47 0.867 15.046 -29.884 1.00 0.00 C ATOM 924 CG ARG A 47 1.240 14.991 -28.402 1.00 0.00 C ATOM 925 CD ARG A 47 1.390 16.375 -27.777 1.00 0.00 C ATOM 926 NE ARG A 47 2.293 17.263 -28.520 1.00 0.00 N ATOM 927 CZ ARG A 47 2.582 18.520 -28.166 1.00 0.00 C ATOM 928 NH1 ARG A 47 2.092 19.046 -27.040 1.00 0.00 N ATOM 929 NH2 ARG A 47 3.358 19.250 -28.946 1.00 0.00 N ATOM 0 H ARG A 47 -1.007 13.593 -28.922 1.00 0.00 H new ATOM 0 HA ARG A 47 0.293 13.781 -31.557 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.724 15.414 -30.449 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.063 15.769 -30.017 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.476 14.434 -27.860 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.175 14.443 -28.288 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.408 16.843 -27.711 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.760 16.266 -26.758 1.00 0.00 H new ATOM 0 HE ARG A 47 2.730 16.896 -29.365 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.488 18.487 -26.437 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.322 20.006 -26.784 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.731 18.854 -29.809 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.585 20.210 -28.686 1.00 0.00 H new ATOM 943 N LEU A 48 1.133 11.483 -29.670 1.00 0.00 N ATOM 944 CA LEU A 48 2.055 10.348 -29.414 1.00 0.00 C ATOM 945 C LEU A 48 1.474 9.025 -29.973 1.00 0.00 C ATOM 946 O LEU A 48 2.072 7.960 -29.804 1.00 0.00 O ATOM 947 CB LEU A 48 2.409 10.243 -27.890 1.00 0.00 C ATOM 948 CG LEU A 48 1.345 9.674 -26.886 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.753 9.956 -25.419 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.072 10.160 -27.168 1.00 0.00 C ATOM 0 H LEU A 48 0.181 11.317 -29.344 1.00 0.00 H new ATOM 0 HA LEU A 48 2.988 10.537 -29.945 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.302 9.624 -27.804 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.679 11.242 -27.548 1.00 0.00 H new ATOM 0 HG LEU A 48 1.330 8.595 -27.039 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.997 9.550 -24.747 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.714 9.485 -25.211 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.836 11.032 -25.265 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.757 9.729 -26.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.104 11.247 -27.098 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.370 9.852 -28.170 1.00 0.00 H new ATOM 962 N ILE A 49 0.292 9.119 -30.631 1.00 0.00 N ATOM 963 CA ILE A 49 -0.330 8.014 -31.409 1.00 0.00 C ATOM 964 C ILE A 49 -0.847 8.591 -32.745 1.00 0.00 C ATOM 965 O ILE A 49 -1.556 9.601 -32.745 1.00 0.00 O ATOM 966 CB ILE A 49 -1.530 7.324 -30.655 1.00 0.00 C ATOM 967 CG1 ILE A 49 -1.045 6.559 -29.404 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.336 6.365 -31.588 1.00 0.00 C ATOM 969 CD1 ILE A 49 -2.154 5.908 -28.600 1.00 0.00 C ATOM 0 H ILE A 49 -0.264 9.974 -30.638 1.00 0.00 H new ATOM 0 HA ILE A 49 0.433 7.251 -31.562 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.197 8.125 -30.338 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.338 5.790 -29.715 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.502 7.249 -28.759 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.153 5.912 -31.026 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.742 6.930 -32.427 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.676 5.583 -31.963 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.726 5.393 -27.740 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.850 6.672 -28.255 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.684 5.190 -29.226 1.00 0.00 H new ATOM 981 N GLU A 50 -0.484 7.956 -33.873 1.00 0.00 N ATOM 982 CA GLU A 50 -1.005 8.312 -35.213 1.00 0.00 C ATOM 983 C GLU A 50 -1.011 7.050 -36.088 1.00 0.00 C ATOM 984 O GLU A 50 0.008 6.369 -36.170 1.00 0.00 O ATOM 985 CB GLU A 50 -0.123 9.425 -35.855 1.00 0.00 C ATOM 986 CG GLU A 50 -0.776 10.295 -36.962 1.00 0.00 C ATOM 987 CD GLU A 50 -1.145 9.539 -38.251 1.00 0.00 C ATOM 988 OE1 GLU A 50 -0.236 9.197 -39.030 1.00 0.00 O ATOM 989 OE2 GLU A 50 -2.346 9.277 -38.485 1.00 0.00 O ATOM 0 H GLU A 50 0.179 7.181 -33.886 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.020 8.699 -35.127 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.216 10.089 -35.060 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.764 8.952 -36.276 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.678 10.754 -36.557 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.093 11.105 -37.217 1.00 0.00 H new ATOM 996 N ASP A 51 -2.172 6.754 -36.721 1.00 0.00 N ATOM 997 CA ASP A 51 -2.351 5.614 -37.665 1.00 0.00 C ATOM 998 C ASP A 51 -2.083 4.259 -36.953 1.00 0.00 C ATOM 999 O ASP A 51 -1.683 3.263 -37.568 1.00 0.00 O ATOM 1000 CB ASP A 51 -1.414 5.829 -38.898 1.00 0.00 C ATOM 1001 CG ASP A 51 -1.649 4.872 -40.076 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -2.668 5.037 -40.790 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -0.815 3.966 -40.308 1.00 0.00 O ATOM 0 H ASP A 51 -3.022 7.303 -36.592 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.383 5.579 -38.015 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.537 6.852 -39.253 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.380 5.727 -38.570 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.372 4.231 -35.641 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.139 3.050 -34.799 1.00 0.00 C ATOM 1010 C GLY A 52 -0.666 2.806 -34.422 1.00 0.00 C ATOM 1011 O GLY A 52 -0.377 1.984 -33.542 1.00 0.00 O ATOM 0 H GLY A 52 -2.772 5.023 -35.138 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.721 3.153 -33.883 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.517 2.170 -35.319 1.00 0.00 H new ATOM 1015 N GLU A 53 0.267 3.500 -35.108 1.00 0.00 N ATOM 1016 CA GLU A 53 1.706 3.504 -34.770 1.00 0.00 C ATOM 1017 C GLU A 53 2.031 4.756 -33.941 1.00 0.00 C ATOM 1018 O GLU A 53 1.122 5.477 -33.526 1.00 0.00 O ATOM 1019 CB GLU A 53 2.604 3.439 -36.031 1.00 0.00 C ATOM 1020 CG GLU A 53 2.424 4.616 -37.008 1.00 0.00 C ATOM 1021 CD GLU A 53 3.613 4.793 -37.958 1.00 0.00 C ATOM 1022 OE1 GLU A 53 4.610 5.431 -37.551 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.557 4.307 -39.109 1.00 0.00 O ATOM 0 H GLU A 53 0.041 4.077 -35.918 1.00 0.00 H new ATOM 0 HA GLU A 53 1.918 2.609 -34.185 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.647 3.401 -35.717 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.397 2.509 -36.561 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.518 4.459 -37.594 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.281 5.535 -36.439 1.00 0.00 H new ATOM 1030 N VAL A 54 3.338 4.978 -33.668 1.00 0.00 N ATOM 1031 CA VAL A 54 3.782 6.050 -32.764 1.00 0.00 C ATOM 1032 C VAL A 54 3.354 7.475 -33.249 1.00 0.00 C ATOM 1033 O VAL A 54 2.573 8.084 -32.551 1.00 0.00 O ATOM 1034 CB VAL A 54 5.353 5.974 -32.550 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.741 4.716 -31.732 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.126 6.005 -33.904 1.00 0.00 C ATOM 0 H VAL A 54 4.099 4.426 -34.064 1.00 0.00 H new ATOM 0 HA VAL A 54 3.281 5.888 -31.810 1.00 0.00 H new ATOM 0 HB VAL A 54 5.643 6.859 -31.984 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.823 4.688 -31.599 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.257 4.753 -30.756 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.417 3.822 -32.264 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.198 5.951 -33.712 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.823 5.155 -34.515 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.898 6.931 -34.432 1.00 0.00 H new ATOM 1046 N LYS A 55 3.739 7.903 -34.494 1.00 0.00 N ATOM 1047 CA LYS A 55 3.475 9.278 -35.056 1.00 0.00 C ATOM 1048 C LYS A 55 4.595 9.663 -36.051 1.00 0.00 C ATOM 1049 O LYS A 55 5.766 9.380 -35.798 1.00 0.00 O ATOM 1050 CB LYS A 55 3.353 10.388 -33.934 1.00 0.00 C ATOM 1051 CG LYS A 55 3.359 11.875 -34.361 1.00 0.00 C ATOM 1052 CD LYS A 55 1.998 12.386 -34.885 1.00 0.00 C ATOM 1053 CE LYS A 55 0.897 12.325 -33.816 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.386 12.899 -34.275 1.00 0.00 N ATOM 0 H LYS A 55 4.245 7.301 -35.143 1.00 0.00 H new ATOM 0 HA LYS A 55 2.514 9.233 -35.568 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.429 10.205 -33.386 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.174 10.242 -33.232 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.661 12.485 -33.510 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.111 12.016 -35.137 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.108 13.414 -35.231 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.697 11.790 -35.747 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.740 11.287 -33.523 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.231 12.860 -32.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.108 12.769 -33.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.264 13.914 -34.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.690 12.418 -35.146 1.00 0.00 H new ATOM 1068 N PRO A 56 4.243 10.282 -37.222 1.00 0.00 N ATOM 1069 CA PRO A 56 5.212 11.009 -38.090 1.00 0.00 C ATOM 1070 C PRO A 56 5.778 12.274 -37.388 1.00 0.00 C ATOM 1071 O PRO A 56 5.040 12.979 -36.699 1.00 0.00 O ATOM 1072 CB PRO A 56 4.354 11.399 -39.329 1.00 0.00 C ATOM 1073 CG PRO A 56 2.947 11.416 -38.800 1.00 0.00 C ATOM 1074 CD PRO A 56 2.888 10.270 -37.829 1.00 0.00 C ATOM 0 HA PRO A 56 6.086 10.407 -38.339 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.644 12.372 -39.726 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.469 10.678 -40.138 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.720 12.362 -38.309 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.221 11.292 -39.603 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.109 10.414 -37.081 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.678 9.325 -38.331 1.00 0.00 H new ATOM 1082 N HIS A 57 7.087 12.540 -37.593 1.00 0.00 N ATOM 1083 CA HIS A 57 7.844 13.697 -37.022 1.00 0.00 C ATOM 1084 C HIS A 57 8.320 13.437 -35.573 1.00 0.00 C ATOM 1085 O HIS A 57 9.277 14.084 -35.122 1.00 0.00 O ATOM 1086 CB HIS A 57 7.088 15.071 -37.092 1.00 0.00 C ATOM 1087 CG HIS A 57 6.746 15.570 -38.478 1.00 0.00 C ATOM 1088 ND1 HIS A 57 7.373 16.647 -39.070 1.00 0.00 N ATOM 1089 CD2 HIS A 57 5.798 15.171 -39.365 1.00 0.00 C ATOM 1090 CE1 HIS A 57 6.828 16.886 -40.247 1.00 0.00 C ATOM 1091 NE2 HIS A 57 5.869 16.004 -40.454 1.00 0.00 N ATOM 0 H HIS A 57 7.672 11.942 -38.177 1.00 0.00 H new ATOM 0 HA HIS A 57 8.713 13.782 -37.674 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.164 14.984 -36.520 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.699 15.825 -36.597 1.00 0.00 H new ATOM 0 HD1 HIS A 57 8.141 17.178 -38.660 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.112 14.347 -39.237 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.118 17.673 -40.928 1.00 0.00 H new ATOM 1100 N VAL A 58 7.644 12.525 -34.839 1.00 0.00 N ATOM 1101 CA VAL A 58 7.993 12.209 -33.436 1.00 0.00 C ATOM 1102 C VAL A 58 9.251 11.323 -33.420 1.00 0.00 C ATOM 1103 O VAL A 58 9.423 10.465 -34.298 1.00 0.00 O ATOM 1104 CB VAL A 58 6.786 11.519 -32.654 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.776 9.975 -32.758 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.737 11.956 -31.173 1.00 0.00 C ATOM 0 H VAL A 58 6.851 11.993 -35.197 1.00 0.00 H new ATOM 0 HA VAL A 58 8.198 13.142 -32.911 1.00 0.00 H new ATOM 0 HB VAL A 58 5.886 11.873 -33.157 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.927 9.578 -32.201 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.693 9.681 -33.804 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.701 9.576 -32.341 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.901 11.464 -30.676 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.668 11.676 -30.680 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.607 13.037 -31.117 1.00 0.00 H new ATOM 1116 N ASN A 59 10.145 11.559 -32.456 1.00 0.00 N ATOM 1117 CA ASN A 59 11.350 10.738 -32.284 1.00 0.00 C ATOM 1118 C ASN A 59 11.210 9.962 -30.985 1.00 0.00 C ATOM 1119 O ASN A 59 11.372 10.513 -29.908 1.00 0.00 O ATOM 1120 CB ASN A 59 12.614 11.632 -32.253 1.00 0.00 C ATOM 1121 CG ASN A 59 12.791 12.459 -33.524 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.324 13.596 -33.612 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.463 11.890 -34.515 1.00 0.00 N ATOM 0 H ASN A 59 10.057 12.316 -31.778 1.00 0.00 H new ATOM 0 HA ASN A 59 11.457 10.047 -33.120 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.557 12.302 -31.395 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.493 11.004 -32.109 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.609 12.396 -35.389 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.834 10.947 -34.404 1.00 0.00 H new ATOM 1130 N VAL A 60 10.916 8.669 -31.104 1.00 0.00 N ATOM 1131 CA VAL A 60 10.726 7.780 -29.949 1.00 0.00 C ATOM 1132 C VAL A 60 11.810 6.701 -29.947 1.00 0.00 C ATOM 1133 O VAL A 60 12.197 6.191 -31.004 1.00 0.00 O ATOM 1134 CB VAL A 60 9.292 7.147 -29.922 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.240 8.156 -29.368 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.882 6.638 -31.326 1.00 0.00 C ATOM 0 H VAL A 60 10.802 8.203 -32.004 1.00 0.00 H new ATOM 0 HA VAL A 60 10.817 8.377 -29.041 1.00 0.00 H new ATOM 0 HB VAL A 60 9.321 6.291 -29.248 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.255 7.688 -29.362 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.512 8.444 -28.352 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.217 9.042 -30.002 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.883 6.204 -31.278 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.882 7.471 -32.029 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.591 5.881 -31.660 1.00 0.00 H new ATOM 1146 N LEU A 61 12.298 6.390 -28.739 1.00 0.00 N ATOM 1147 CA LEU A 61 13.522 5.611 -28.504 1.00 0.00 C ATOM 1148 C LEU A 61 13.256 4.518 -27.467 1.00 0.00 C ATOM 1149 O LEU A 61 12.469 4.697 -26.537 1.00 0.00 O ATOM 1150 CB LEU A 61 14.698 6.499 -27.972 1.00 0.00 C ATOM 1151 CG LEU A 61 15.302 7.599 -28.907 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.351 8.774 -29.144 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.659 8.102 -28.368 1.00 0.00 C ATOM 0 H LEU A 61 11.841 6.681 -27.875 1.00 0.00 H new ATOM 0 HA LEU A 61 13.809 5.183 -29.464 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.352 6.993 -27.064 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.510 5.831 -27.683 1.00 0.00 H new ATOM 0 HG LEU A 61 15.459 7.122 -29.874 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.828 9.502 -29.800 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.434 8.412 -29.610 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.112 9.246 -28.191 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.056 8.866 -29.037 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.521 8.527 -27.374 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.360 7.269 -28.312 1.00 0.00 H new ATOM 1165 N LYS A 62 13.945 3.397 -27.644 1.00 0.00 N ATOM 1166 CA LYS A 62 14.097 2.366 -26.626 1.00 0.00 C ATOM 1167 C LYS A 62 15.523 2.447 -26.079 1.00 0.00 C ATOM 1168 O LYS A 62 16.469 2.029 -26.746 1.00 0.00 O ATOM 1169 CB LYS A 62 13.830 0.975 -27.265 1.00 0.00 C ATOM 1170 CG LYS A 62 14.212 -0.238 -26.410 1.00 0.00 C ATOM 1171 CD LYS A 62 13.471 -0.277 -25.076 1.00 0.00 C ATOM 1172 CE LYS A 62 14.074 -1.293 -24.116 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.137 -2.672 -24.674 1.00 0.00 N ATOM 0 H LYS A 62 14.423 3.175 -28.517 1.00 0.00 H new ATOM 0 HA LYS A 62 13.387 2.512 -25.812 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.769 0.905 -27.507 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.376 0.918 -28.207 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.998 -1.151 -26.966 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.286 -0.222 -26.224 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.496 0.712 -24.619 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.423 -0.521 -25.251 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.080 -0.973 -23.845 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.486 -1.307 -23.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.714 -3.340 -23.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.612 -2.708 -25.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.129 -2.933 -24.843 1.00 0.00 H new ATOM 1187 N ASN A 63 15.650 3.004 -24.861 1.00 0.00 N ATOM 1188 CA ASN A 63 16.914 3.042 -24.087 1.00 0.00 C ATOM 1189 C ASN A 63 18.081 3.667 -24.912 1.00 0.00 C ATOM 1190 O ASN A 63 19.224 3.189 -24.891 1.00 0.00 O ATOM 1191 CB ASN A 63 17.234 1.596 -23.566 1.00 0.00 C ATOM 1192 CG ASN A 63 18.166 1.567 -22.349 1.00 0.00 C ATOM 1193 OD1 ASN A 63 17.703 1.598 -21.207 1.00 0.00 O ATOM 1194 ND2 ASN A 63 19.473 1.505 -22.579 1.00 0.00 N ATOM 0 H ASN A 63 14.870 3.448 -24.376 1.00 0.00 H new ATOM 0 HA ASN A 63 16.795 3.697 -23.224 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.299 1.098 -23.308 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.688 1.022 -24.373 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.128 1.482 -21.797 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.822 1.481 -23.537 1.00 0.00 H new ATOM 1201 N GLY A 64 17.751 4.753 -25.646 1.00 0.00 N ATOM 1202 CA GLY A 64 18.721 5.475 -26.491 1.00 0.00 C ATOM 1203 C GLY A 64 18.792 4.982 -27.947 1.00 0.00 C ATOM 1204 O GLY A 64 19.402 5.644 -28.801 1.00 0.00 O ATOM 0 H GLY A 64 16.811 5.149 -25.668 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.465 6.534 -26.492 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.710 5.387 -26.042 1.00 0.00 H new ATOM 1208 N ARG A 65 18.169 3.828 -28.237 1.00 0.00 N ATOM 1209 CA ARG A 65 18.083 3.268 -29.606 1.00 0.00 C ATOM 1210 C ARG A 65 16.703 3.598 -30.197 1.00 0.00 C ATOM 1211 O ARG A 65 15.704 2.993 -29.816 1.00 0.00 O ATOM 1212 CB ARG A 65 18.306 1.729 -29.596 1.00 0.00 C ATOM 1213 CG ARG A 65 18.518 1.113 -31.001 1.00 0.00 C ATOM 1214 CD ARG A 65 19.875 1.508 -31.604 1.00 0.00 C ATOM 1215 NE ARG A 65 20.135 0.864 -32.903 1.00 0.00 N ATOM 1216 CZ ARG A 65 21.095 1.239 -33.767 1.00 0.00 C ATOM 1217 NH1 ARG A 65 21.863 2.300 -33.518 1.00 0.00 N ATOM 1218 NH2 ARG A 65 21.258 0.556 -34.888 1.00 0.00 N ATOM 0 H ARG A 65 17.709 3.253 -27.532 1.00 0.00 H new ATOM 0 HA ARG A 65 18.866 3.714 -30.220 1.00 0.00 H new ATOM 0 HB2 ARG A 65 19.174 1.502 -28.977 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.446 1.251 -29.127 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.453 0.027 -30.934 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.717 1.440 -31.665 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.911 2.590 -31.727 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.669 1.240 -30.906 1.00 0.00 H new ATOM 0 HE ARG A 65 19.544 0.076 -33.167 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.726 2.839 -32.663 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.587 2.573 -34.183 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.659 -0.245 -35.089 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.983 0.830 -35.552 1.00 0.00 H new ATOM 1232 N GLU A 66 16.672 4.546 -31.139 1.00 0.00 N ATOM 1233 CA GLU A 66 15.435 5.132 -31.682 1.00 0.00 C ATOM 1234 C GLU A 66 14.581 4.072 -32.436 1.00 0.00 C ATOM 1235 O GLU A 66 14.994 3.554 -33.477 1.00 0.00 O ATOM 1236 CB GLU A 66 15.820 6.340 -32.584 1.00 0.00 C ATOM 1237 CG GLU A 66 14.711 7.388 -32.788 1.00 0.00 C ATOM 1238 CD GLU A 66 15.147 8.533 -33.719 1.00 0.00 C ATOM 1239 OE1 GLU A 66 15.481 8.254 -34.889 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.205 9.701 -33.284 1.00 0.00 O ATOM 0 H GLU A 66 17.518 4.936 -31.555 1.00 0.00 H new ATOM 0 HA GLU A 66 14.804 5.487 -30.867 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.689 6.834 -32.150 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.123 5.961 -33.560 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.828 6.902 -33.204 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.422 7.800 -31.821 1.00 0.00 H new ATOM 1247 N VAL A 67 13.380 3.766 -31.887 1.00 0.00 N ATOM 1248 CA VAL A 67 12.506 2.666 -32.372 1.00 0.00 C ATOM 1249 C VAL A 67 11.797 2.973 -33.702 1.00 0.00 C ATOM 1250 O VAL A 67 11.113 2.102 -34.236 1.00 0.00 O ATOM 1251 CB VAL A 67 11.434 2.235 -31.310 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.091 1.585 -30.089 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.526 3.412 -30.886 1.00 0.00 C ATOM 0 H VAL A 67 12.988 4.275 -31.094 1.00 0.00 H new ATOM 0 HA VAL A 67 13.196 1.840 -32.544 1.00 0.00 H new ATOM 0 HB VAL A 67 10.797 1.492 -31.790 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.322 1.298 -29.372 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.644 0.700 -30.402 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.775 2.294 -29.623 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.800 3.065 -30.150 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.136 4.203 -30.449 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.001 3.799 -31.759 1.00 0.00 H new ATOM 1263 N VAL A 68 11.976 4.183 -34.252 1.00 0.00 N ATOM 1264 CA VAL A 68 11.406 4.532 -35.574 1.00 0.00 C ATOM 1265 C VAL A 68 12.170 3.820 -36.726 1.00 0.00 C ATOM 1266 O VAL A 68 11.748 3.884 -37.882 1.00 0.00 O ATOM 1267 CB VAL A 68 11.381 6.089 -35.811 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.583 6.817 -34.700 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.808 6.666 -35.945 1.00 0.00 C ATOM 0 H VAL A 68 12.506 4.935 -33.811 1.00 0.00 H new ATOM 0 HA VAL A 68 10.375 4.178 -35.575 1.00 0.00 H new ATOM 0 HB VAL A 68 10.867 6.265 -36.756 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.585 7.890 -34.894 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.556 6.452 -34.691 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.046 6.622 -33.732 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.751 7.742 -36.108 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.369 6.466 -35.032 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.312 6.197 -36.790 1.00 0.00 H new ATOM 1279 N HIS A 69 13.299 3.152 -36.392 1.00 0.00 N ATOM 1280 CA HIS A 69 14.109 2.360 -37.355 1.00 0.00 C ATOM 1281 C HIS A 69 13.738 0.858 -37.287 1.00 0.00 C ATOM 1282 O HIS A 69 14.074 0.076 -38.188 1.00 0.00 O ATOM 1283 CB HIS A 69 15.616 2.539 -37.053 1.00 0.00 C ATOM 1284 CG HIS A 69 16.059 3.975 -36.978 1.00 0.00 C ATOM 1285 ND1 HIS A 69 16.090 4.806 -38.069 1.00 0.00 N ATOM 1286 CD2 HIS A 69 16.455 4.729 -35.923 1.00 0.00 C ATOM 1287 CE1 HIS A 69 16.482 6.008 -37.695 1.00 0.00 C ATOM 1288 NE2 HIS A 69 16.707 5.989 -36.397 1.00 0.00 N ATOM 0 H HIS A 69 13.677 3.146 -35.445 1.00 0.00 H new ATOM 0 HA HIS A 69 13.894 2.724 -38.360 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.847 2.048 -36.108 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.194 2.031 -37.825 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.553 4.398 -34.900 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.599 6.864 -38.343 1.00 0.00 H new ATOM 0 HE2 HIS A 69 17.018 6.783 -35.837 1.00 0.00 H new ATOM 1297 N LEU A 70 13.056 0.472 -36.192 1.00 0.00 N ATOM 1298 CA LEU A 70 12.620 -0.913 -35.918 1.00 0.00 C ATOM 1299 C LEU A 70 11.141 -0.902 -35.478 1.00 0.00 C ATOM 1300 O LEU A 70 10.384 -0.018 -35.907 1.00 0.00 O ATOM 1301 CB LEU A 70 13.565 -1.602 -34.863 1.00 0.00 C ATOM 1302 CG LEU A 70 13.866 -0.828 -33.518 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.317 -1.787 -32.395 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.938 0.276 -33.718 1.00 0.00 C ATOM 0 H LEU A 70 12.787 1.126 -35.458 1.00 0.00 H new ATOM 0 HA LEU A 70 12.695 -1.511 -36.826 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.128 -2.566 -34.603 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.518 -1.806 -35.351 1.00 0.00 H new ATOM 0 HG LEU A 70 12.930 -0.356 -33.220 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.514 -1.217 -31.487 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.530 -2.516 -32.202 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.225 -2.306 -32.702 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.117 0.785 -32.771 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.866 -0.177 -34.068 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.585 0.996 -34.456 1.00 0.00 H new ATOM 1316 N ASP A 71 10.712 -1.917 -34.694 1.00 0.00 N ATOM 1317 CA ASP A 71 9.367 -1.929 -34.089 1.00 0.00 C ATOM 1318 C ASP A 71 9.198 -0.722 -33.142 1.00 0.00 C ATOM 1319 O ASP A 71 9.818 -0.677 -32.074 1.00 0.00 O ATOM 1320 CB ASP A 71 9.129 -3.243 -33.307 1.00 0.00 C ATOM 1321 CG ASP A 71 8.999 -4.482 -34.205 1.00 0.00 C ATOM 1322 OD1 ASP A 71 10.035 -5.022 -34.644 1.00 0.00 O ATOM 1323 OD2 ASP A 71 7.859 -4.924 -34.475 1.00 0.00 O ATOM 0 H ASP A 71 11.278 -2.735 -34.468 1.00 0.00 H new ATOM 0 HA ASP A 71 8.632 -1.862 -34.892 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.954 -3.395 -32.611 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.222 -3.141 -32.710 1.00 0.00 H new ATOM 1328 N GLY A 72 8.377 0.257 -33.566 1.00 0.00 N ATOM 1329 CA GLY A 72 8.096 1.441 -32.762 1.00 0.00 C ATOM 1330 C GLY A 72 7.230 1.124 -31.556 1.00 0.00 C ATOM 1331 O GLY A 72 7.544 1.518 -30.430 1.00 0.00 O ATOM 0 H GLY A 72 7.899 0.242 -34.467 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.035 1.882 -32.427 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.596 2.187 -33.380 1.00 0.00 H new ATOM 1335 N MET A 73 6.142 0.393 -31.814 1.00 0.00 N ATOM 1336 CA MET A 73 5.105 0.098 -30.813 1.00 0.00 C ATOM 1337 C MET A 73 5.511 -1.067 -29.886 1.00 0.00 C ATOM 1338 O MET A 73 5.242 -1.031 -28.690 1.00 0.00 O ATOM 1339 CB MET A 73 3.757 -0.201 -31.522 1.00 0.00 C ATOM 1340 CG MET A 73 3.344 0.869 -32.552 1.00 0.00 C ATOM 1341 SD MET A 73 3.267 2.527 -31.838 1.00 0.00 S ATOM 1342 CE MET A 73 1.681 2.540 -31.000 1.00 0.00 C ATOM 0 H MET A 73 5.952 -0.015 -32.729 1.00 0.00 H new ATOM 0 HA MET A 73 4.988 0.978 -30.181 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.827 -1.166 -32.023 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.973 -0.289 -30.770 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.055 0.866 -33.378 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.370 0.611 -32.968 1.00 0.00 H new ATOM 0 HE1 MET A 73 1.184 3.494 -31.177 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.060 1.731 -31.384 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.834 2.404 -29.929 1.00 0.00 H new ATOM 1352 N ALA A 74 6.178 -2.097 -30.436 1.00 0.00 N ATOM 1353 CA ALA A 74 6.474 -3.340 -29.685 1.00 0.00 C ATOM 1354 C ALA A 74 7.891 -3.847 -29.976 1.00 0.00 C ATOM 1355 O ALA A 74 8.078 -4.907 -30.584 1.00 0.00 O ATOM 1356 CB ALA A 74 5.396 -4.400 -29.999 1.00 0.00 C ATOM 0 H ALA A 74 6.524 -2.098 -31.396 1.00 0.00 H new ATOM 0 HA ALA A 74 6.442 -3.128 -28.616 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.613 -5.314 -29.447 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.417 -4.022 -29.704 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.396 -4.613 -31.068 1.00 0.00 H new ATOM 1362 N THR A 75 8.892 -3.059 -29.546 1.00 0.00 N ATOM 1363 CA THR A 75 10.312 -3.391 -29.744 1.00 0.00 C ATOM 1364 C THR A 75 10.767 -4.595 -28.873 1.00 0.00 C ATOM 1365 O THR A 75 10.966 -5.690 -29.408 1.00 0.00 O ATOM 1366 CB THR A 75 11.243 -2.138 -29.522 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.624 -2.524 -29.546 1.00 0.00 O ATOM 1368 CG2 THR A 75 10.947 -1.390 -28.208 1.00 0.00 C ATOM 0 H THR A 75 8.740 -2.179 -29.054 1.00 0.00 H new ATOM 0 HA THR A 75 10.414 -3.697 -30.785 1.00 0.00 H new ATOM 0 HB THR A 75 11.030 -1.454 -30.344 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.187 -1.734 -29.408 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.621 -0.538 -28.114 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.916 -1.037 -28.214 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.095 -2.064 -27.364 1.00 0.00 H new ATOM 1376 N ALA A 76 10.860 -4.413 -27.535 1.00 0.00 N ATOM 1377 CA ALA A 76 11.680 -5.293 -26.674 1.00 0.00 C ATOM 1378 C ALA A 76 11.605 -4.897 -25.180 1.00 0.00 C ATOM 1379 O ALA A 76 12.603 -5.018 -24.464 1.00 0.00 O ATOM 1380 CB ALA A 76 13.150 -5.306 -27.163 1.00 0.00 C ATOM 0 H ALA A 76 10.379 -3.668 -27.031 1.00 0.00 H new ATOM 0 HA ALA A 76 11.267 -6.298 -26.755 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.742 -5.958 -26.520 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.189 -5.675 -28.188 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.555 -4.295 -27.126 1.00 0.00 H new ATOM 1386 N LEU A 77 10.440 -4.424 -24.695 1.00 0.00 N ATOM 1387 CA LEU A 77 10.346 -3.834 -23.335 1.00 0.00 C ATOM 1388 C LEU A 77 10.411 -4.908 -22.213 1.00 0.00 C ATOM 1389 O LEU A 77 9.764 -5.952 -22.297 1.00 0.00 O ATOM 1390 CB LEU A 77 9.055 -2.984 -23.158 1.00 0.00 C ATOM 1391 CG LEU A 77 9.055 -1.565 -23.802 1.00 0.00 C ATOM 1392 CD1 LEU A 77 7.849 -0.745 -23.315 1.00 0.00 C ATOM 1393 CD2 LEU A 77 10.359 -0.805 -23.510 1.00 0.00 C ATOM 0 H LEU A 77 9.561 -4.436 -25.212 1.00 0.00 H new ATOM 0 HA LEU A 77 11.216 -3.184 -23.239 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.219 -3.546 -23.574 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.865 -2.873 -22.090 1.00 0.00 H new ATOM 0 HG LEU A 77 8.980 -1.702 -24.881 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.869 0.242 -23.777 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.926 -1.256 -23.591 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.895 -0.639 -22.231 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.319 0.179 -23.976 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.481 -0.691 -22.433 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.204 -1.363 -23.913 1.00 0.00 H new ATOM 1405 N ASP A 78 11.207 -4.591 -21.172 1.00 0.00 N ATOM 1406 CA ASP A 78 11.393 -5.407 -19.952 1.00 0.00 C ATOM 1407 C ASP A 78 11.463 -4.450 -18.738 1.00 0.00 C ATOM 1408 O ASP A 78 11.443 -3.232 -18.920 1.00 0.00 O ATOM 1409 CB ASP A 78 12.688 -6.255 -20.093 1.00 0.00 C ATOM 1410 CG ASP A 78 12.957 -7.222 -18.927 1.00 0.00 C ATOM 1411 OD1 ASP A 78 12.224 -8.227 -18.803 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.892 -6.985 -18.131 1.00 0.00 O ATOM 0 H ASP A 78 11.757 -3.732 -21.155 1.00 0.00 H new ATOM 0 HA ASP A 78 10.562 -6.097 -19.807 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.630 -6.830 -21.017 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.538 -5.580 -20.190 1.00 0.00 H new ATOM 1417 N ASP A 79 11.532 -4.977 -17.500 1.00 0.00 N ATOM 1418 CA ASP A 79 11.622 -4.131 -16.291 1.00 0.00 C ATOM 1419 C ASP A 79 12.992 -3.426 -16.209 1.00 0.00 C ATOM 1420 O ASP A 79 14.026 -4.011 -16.545 1.00 0.00 O ATOM 1421 CB ASP A 79 11.326 -4.943 -15.001 1.00 0.00 C ATOM 1422 CG ASP A 79 12.427 -5.928 -14.587 1.00 0.00 C ATOM 1423 OD1 ASP A 79 12.535 -7.011 -15.193 1.00 0.00 O ATOM 1424 OD2 ASP A 79 13.180 -5.632 -13.633 1.00 0.00 O ATOM 0 H ASP A 79 11.527 -5.979 -17.310 1.00 0.00 H new ATOM 0 HA ASP A 79 10.854 -3.361 -16.371 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.157 -4.245 -14.181 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.398 -5.497 -15.144 1.00 0.00 H new ATOM 1429 N GLY A 80 12.968 -2.164 -15.761 1.00 0.00 N ATOM 1430 CA GLY A 80 14.149 -1.294 -15.757 1.00 0.00 C ATOM 1431 C GLY A 80 14.446 -0.620 -17.108 1.00 0.00 C ATOM 1432 O GLY A 80 15.231 0.339 -17.160 1.00 0.00 O ATOM 0 H GLY A 80 12.128 -1.718 -15.391 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.013 -0.521 -15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.017 -1.882 -15.459 1.00 0.00 H new ATOM 1436 N ASP A 81 13.823 -1.115 -18.202 1.00 0.00 N ATOM 1437 CA ASP A 81 14.068 -0.614 -19.574 1.00 0.00 C ATOM 1438 C ASP A 81 13.515 0.803 -19.765 1.00 0.00 C ATOM 1439 O ASP A 81 12.380 1.096 -19.378 1.00 0.00 O ATOM 1440 CB ASP A 81 13.454 -1.572 -20.638 1.00 0.00 C ATOM 1441 CG ASP A 81 14.254 -2.865 -20.901 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.244 -3.135 -20.207 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.901 -3.607 -21.847 1.00 0.00 O ATOM 0 H ASP A 81 13.139 -1.870 -18.159 1.00 0.00 H new ATOM 0 HA ASP A 81 15.149 -0.580 -19.713 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.448 -1.845 -20.319 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.354 -1.029 -21.578 1.00 0.00 H new ATOM 1448 N ALA A 82 14.332 1.672 -20.378 1.00 0.00 N ATOM 1449 CA ALA A 82 13.955 3.063 -20.643 1.00 0.00 C ATOM 1450 C ALA A 82 13.254 3.199 -22.006 1.00 0.00 C ATOM 1451 O ALA A 82 13.601 2.509 -22.968 1.00 0.00 O ATOM 1452 CB ALA A 82 15.190 3.980 -20.596 1.00 0.00 C ATOM 0 H ALA A 82 15.268 1.429 -20.702 1.00 0.00 H new ATOM 0 HA ALA A 82 13.257 3.369 -19.864 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.888 5.008 -20.795 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.649 3.922 -19.609 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.909 3.661 -21.350 1.00 0.00 H new ATOM 1458 N VAL A 83 12.243 4.081 -22.057 1.00 0.00 N ATOM 1459 CA VAL A 83 11.652 4.573 -23.316 1.00 0.00 C ATOM 1460 C VAL A 83 11.862 6.103 -23.349 1.00 0.00 C ATOM 1461 O VAL A 83 11.214 6.840 -22.603 1.00 0.00 O ATOM 1462 CB VAL A 83 10.106 4.249 -23.424 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.528 4.709 -24.791 1.00 0.00 C ATOM 1464 CG2 VAL A 83 9.824 2.747 -23.182 1.00 0.00 C ATOM 0 H VAL A 83 11.809 4.476 -21.223 1.00 0.00 H new ATOM 0 HA VAL A 83 12.136 4.075 -24.156 1.00 0.00 H new ATOM 0 HB VAL A 83 9.600 4.812 -22.639 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.465 4.473 -24.835 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.665 5.785 -24.901 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.048 4.193 -25.598 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.753 2.560 -23.264 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.354 2.153 -23.926 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.166 2.469 -22.185 1.00 0.00 H new ATOM 1474 N SER A 84 12.784 6.558 -24.201 1.00 0.00 N ATOM 1475 CA SER A 84 13.128 7.990 -24.344 1.00 0.00 C ATOM 1476 C SER A 84 12.299 8.596 -25.488 1.00 0.00 C ATOM 1477 O SER A 84 12.250 8.021 -26.561 1.00 0.00 O ATOM 1478 CB SER A 84 14.644 8.114 -24.631 1.00 0.00 C ATOM 1479 OG SER A 84 15.412 7.644 -23.535 1.00 0.00 O ATOM 0 H SER A 84 13.320 5.947 -24.817 1.00 0.00 H new ATOM 0 HA SER A 84 12.899 8.533 -23.427 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.895 7.545 -25.526 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.895 9.155 -24.835 1.00 0.00 H new ATOM 0 HG SER A 84 16.366 7.732 -23.742 1.00 0.00 H new ATOM 1485 N VAL A 85 11.630 9.738 -25.265 1.00 0.00 N ATOM 1486 CA VAL A 85 10.715 10.331 -26.260 1.00 0.00 C ATOM 1487 C VAL A 85 11.030 11.830 -26.463 1.00 0.00 C ATOM 1488 O VAL A 85 11.327 12.561 -25.511 1.00 0.00 O ATOM 1489 CB VAL A 85 9.194 10.143 -25.872 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.824 8.648 -25.689 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.821 10.953 -24.622 1.00 0.00 C ATOM 0 H VAL A 85 11.705 10.274 -24.400 1.00 0.00 H new ATOM 0 HA VAL A 85 10.879 9.797 -27.196 1.00 0.00 H new ATOM 0 HB VAL A 85 8.609 10.529 -26.707 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.770 8.564 -25.423 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.007 8.111 -26.620 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.434 8.217 -24.895 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.768 10.797 -24.388 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.432 10.626 -23.781 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.998 12.012 -24.809 1.00 0.00 H new ATOM 1501 N PHE A 86 10.985 12.243 -27.722 1.00 0.00 N ATOM 1502 CA PHE A 86 11.062 13.636 -28.163 1.00 0.00 C ATOM 1503 C PHE A 86 9.771 13.899 -28.972 1.00 0.00 C ATOM 1504 O PHE A 86 9.385 13.048 -29.780 1.00 0.00 O ATOM 1505 CB PHE A 86 12.296 13.898 -29.083 1.00 0.00 C ATOM 1506 CG PHE A 86 13.653 13.515 -28.488 1.00 0.00 C ATOM 1507 CD1 PHE A 86 14.134 12.214 -28.603 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.454 14.452 -27.826 1.00 0.00 C ATOM 1509 CE1 PHE A 86 15.358 11.861 -28.077 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.685 14.088 -27.304 1.00 0.00 C ATOM 1511 CZ PHE A 86 16.130 12.788 -27.432 1.00 0.00 C ATOM 0 H PHE A 86 10.890 11.591 -28.501 1.00 0.00 H new ATOM 0 HA PHE A 86 11.166 14.291 -27.298 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.158 13.347 -30.013 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.317 14.957 -29.340 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.539 11.470 -29.112 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.109 15.470 -27.721 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.710 10.845 -28.175 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.295 14.821 -26.798 1.00 0.00 H new ATOM 0 HZ PHE A 86 17.088 12.502 -27.023 1.00 0.00 H new ATOM 1521 N PRO A 87 9.081 15.056 -28.758 1.00 0.00 N ATOM 1522 CA PRO A 87 7.844 15.435 -29.495 1.00 0.00 C ATOM 1523 C PRO A 87 8.027 15.531 -31.026 1.00 0.00 C ATOM 1524 O PRO A 87 9.166 15.520 -31.525 1.00 0.00 O ATOM 1525 CB PRO A 87 7.484 16.830 -28.887 1.00 0.00 C ATOM 1526 CG PRO A 87 8.753 17.306 -28.294 1.00 0.00 C ATOM 1527 CD PRO A 87 9.425 16.072 -27.760 1.00 0.00 C ATOM 0 HA PRO A 87 7.067 14.679 -29.379 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.120 17.516 -29.652 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.700 16.746 -28.135 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.375 17.802 -29.040 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.570 18.030 -27.500 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.503 16.204 -27.673 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.056 15.807 -26.769 1.00 0.00 H new ATOM 1535 N PRO A 88 6.889 15.626 -31.797 1.00 0.00 N ATOM 1536 CA PRO A 88 6.939 15.849 -33.244 1.00 0.00 C ATOM 1537 C PRO A 88 7.618 17.177 -33.580 1.00 0.00 C ATOM 1538 O PRO A 88 7.267 18.225 -33.017 1.00 0.00 O ATOM 1539 CB PRO A 88 5.452 15.870 -33.684 1.00 0.00 C ATOM 1540 CG PRO A 88 4.711 15.190 -32.576 1.00 0.00 C ATOM 1541 CD PRO A 88 5.486 15.521 -31.318 1.00 0.00 C ATOM 0 HA PRO A 88 7.518 15.079 -33.755 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.097 16.891 -33.828 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.313 15.348 -34.631 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.684 15.548 -32.511 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.663 14.113 -32.737 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.144 16.453 -30.869 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.376 14.744 -30.562 1.00 0.00 H new ATOM 1549 N VAL A 89 8.570 17.121 -34.506 1.00 0.00 N ATOM 1550 CA VAL A 89 9.277 18.299 -34.990 1.00 0.00 C ATOM 1551 C VAL A 89 8.371 19.052 -35.983 1.00 0.00 C ATOM 1552 O VAL A 89 8.142 18.587 -37.107 1.00 0.00 O ATOM 1553 CB VAL A 89 10.645 17.905 -35.641 1.00 0.00 C ATOM 1554 CG1 VAL A 89 11.371 19.153 -36.175 1.00 0.00 C ATOM 1555 CG2 VAL A 89 11.532 17.115 -34.632 1.00 0.00 C ATOM 0 H VAL A 89 8.874 16.251 -34.944 1.00 0.00 H new ATOM 0 HA VAL A 89 9.507 18.957 -34.152 1.00 0.00 H new ATOM 0 HB VAL A 89 10.448 17.248 -36.488 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.320 18.858 -36.624 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.750 19.641 -36.926 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.558 19.845 -35.354 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.477 16.852 -35.107 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.726 17.734 -33.756 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.014 16.206 -34.327 1.00 0.00 H new ATOM 1565 N ALA A 90 7.791 20.167 -35.488 1.00 0.00 N ATOM 1566 CA ALA A 90 6.872 21.054 -36.243 1.00 0.00 C ATOM 1567 C ALA A 90 5.536 20.360 -36.619 1.00 0.00 C ATOM 1568 O ALA A 90 4.754 20.885 -37.425 1.00 0.00 O ATOM 1569 CB ALA A 90 7.574 21.669 -37.474 1.00 0.00 C ATOM 0 H ALA A 90 7.951 20.484 -34.532 1.00 0.00 H new ATOM 0 HA ALA A 90 6.603 21.871 -35.573 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.875 22.314 -38.007 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.433 22.256 -37.148 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.910 20.872 -38.137 1.00 0.00 H new ATOM 1575 N GLY A 91 5.263 19.200 -35.987 1.00 0.00 N ATOM 1576 CA GLY A 91 4.036 18.428 -36.232 1.00 0.00 C ATOM 1577 C GLY A 91 3.027 18.607 -35.105 1.00 0.00 C ATOM 1578 O GLY A 91 2.592 17.632 -34.483 1.00 0.00 O ATOM 0 H GLY A 91 5.885 18.778 -35.298 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.589 18.743 -37.175 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.284 17.372 -36.335 1.00 0.00 H new ATOM 1582 N GLY A 92 2.682 19.875 -34.826 1.00 0.00 N ATOM 1583 CA GLY A 92 1.726 20.224 -33.771 1.00 0.00 C ATOM 1584 C GLY A 92 2.052 21.588 -33.161 1.00 0.00 C ATOM 1585 O GLY A 92 1.524 22.609 -33.647 1.00 0.00 O ATOM 1586 OXT GLY A 92 2.885 21.655 -32.230 1.00 0.00 O ATOM 0 H GLY A 92 3.058 20.681 -35.325 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.716 20.238 -34.181 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.744 19.461 -32.993 1.00 0.00 H new TER 1590 GLY A 92