USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -0.0467 K(o=-1.3,f=-5!) USER MOD Set 1.2: A 6 LYS NZ :NH3+ -114:sc= -1.21 (180deg=-3.81!) USER MOD Single : A 1 CYS N :NH3+ -170:sc= 0.336 (180deg=-0.0448) USER MOD Single : A 1 CYS SG : rot -69:sc= -0.173 USER MOD Single : A 2 SER OG : rot -65:sc= 0.696 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= -0.248 (180deg=-1.23!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.633 F(o=-9.4!,f=-0.63) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.26 F(o=-1.1,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.79) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.6) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 35.308 -15.198 -2.756 1.00 1.00 N ATOM 2 CA CYS A 1 36.619 -15.561 -2.145 1.00 1.00 C ATOM 3 C CYS A 1 37.566 -16.053 -3.236 1.00 1.00 C ATOM 4 O CYS A 1 38.771 -15.810 -3.180 1.00 1.00 O ATOM 5 CB CYS A 1 36.406 -16.661 -1.104 1.00 1.00 C ATOM 6 SG CYS A 1 35.443 -18.007 -1.836 1.00 1.00 S ATOM 0 H1 CYS A 1 34.721 -14.707 -2.052 1.00 1.00 H new ATOM 0 H2 CYS A 1 35.466 -14.573 -3.572 1.00 1.00 H new ATOM 0 H3 CYS A 1 34.821 -16.061 -3.071 1.00 1.00 H new ATOM 0 HA CYS A 1 37.054 -14.688 -1.659 1.00 1.00 H new ATOM 0 HB2 CYS A 1 37.368 -17.036 -0.754 1.00 1.00 H new ATOM 0 HB3 CYS A 1 35.886 -16.258 -0.235 1.00 1.00 H new ATOM 0 HG CYS A 1 34.226 -17.603 -2.051 1.00 1.00 H new ATOM 14 N SER A 2 37.010 -16.745 -4.226 1.00 1.00 N ATOM 15 CA SER A 2 37.812 -17.268 -5.327 1.00 1.00 C ATOM 16 C SER A 2 38.970 -18.106 -4.803 1.00 1.00 C ATOM 17 O SER A 2 40.113 -17.951 -5.234 1.00 1.00 O ATOM 18 CB SER A 2 38.353 -16.113 -6.165 1.00 1.00 C ATOM 19 OG SER A 2 39.567 -15.645 -5.593 1.00 1.00 O ATOM 0 H SER A 2 36.014 -16.956 -4.289 1.00 1.00 H new ATOM 0 HA SER A 2 37.177 -17.903 -5.945 1.00 1.00 H new ATOM 0 HB2 SER A 2 38.524 -16.441 -7.190 1.00 1.00 H new ATOM 0 HB3 SER A 2 37.622 -15.305 -6.206 1.00 1.00 H new ATOM 0 HG SER A 2 39.386 -15.264 -4.708 1.00 1.00 H new ATOM 25 N LYS A 3 38.660 -18.991 -3.867 1.00 1.00 N ATOM 26 CA LYS A 3 39.683 -19.863 -3.273 1.00 1.00 C ATOM 27 C LYS A 3 40.937 -19.056 -2.940 1.00 1.00 C ATOM 28 O LYS A 3 42.059 -19.547 -3.063 1.00 1.00 O ATOM 29 CB LYS A 3 40.023 -21.015 -4.253 1.00 1.00 C ATOM 30 CG LYS A 3 40.214 -22.339 -3.496 1.00 1.00 C ATOM 31 CD LYS A 3 41.450 -22.244 -2.601 1.00 1.00 C ATOM 32 CE LYS A 3 41.646 -23.567 -1.857 1.00 1.00 C ATOM 33 NZ LYS A 3 42.888 -23.498 -1.038 1.00 1.00 N ATOM 0 H LYS A 3 37.719 -19.130 -3.500 1.00 1.00 H new ATOM 0 HA LYS A 3 39.295 -20.290 -2.349 1.00 1.00 H new ATOM 0 HB2 LYS A 3 39.223 -21.122 -4.986 1.00 1.00 H new ATOM 0 HB3 LYS A 3 40.931 -20.772 -4.805 1.00 1.00 H new ATOM 0 HG2 LYS A 3 39.332 -22.556 -2.893 1.00 1.00 H new ATOM 0 HG3 LYS A 3 40.327 -23.161 -4.203 1.00 1.00 H new ATOM 0 HD2 LYS A 3 42.331 -22.019 -3.202 1.00 1.00 H new ATOM 0 HD3 LYS A 3 41.334 -21.428 -1.888 1.00 1.00 H new ATOM 0 HE2 LYS A 3 40.787 -23.767 -1.217 1.00 1.00 H new ATOM 0 HE3 LYS A 3 41.712 -24.390 -2.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 43.021 -24.397 -0.533 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 43.704 -23.326 -1.659 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 42.807 -22.723 -0.350 1.00 1.00 H new ATOM 47 N ASN A 4 40.731 -17.813 -2.523 1.00 1.00 N ATOM 48 CA ASN A 4 41.850 -16.935 -2.177 1.00 1.00 C ATOM 49 C ASN A 4 42.873 -16.899 -3.308 1.00 1.00 C ATOM 50 O ASN A 4 43.959 -16.336 -3.158 1.00 1.00 O ATOM 51 CB ASN A 4 42.524 -17.431 -0.896 1.00 1.00 C ATOM 52 CG ASN A 4 41.619 -17.175 0.305 1.00 1.00 C ATOM 53 OD1 ASN A 4 40.696 -16.364 0.225 1.00 1.00 O ATOM 54 ND2 ASN A 4 41.830 -17.818 1.420 1.00 1.00 N ATOM 0 H ASN A 4 39.809 -17.390 -2.416 1.00 1.00 H new ATOM 0 HA ASN A 4 41.462 -15.928 -2.020 1.00 1.00 H new ATOM 0 HB2 ASN A 4 42.740 -18.496 -0.978 1.00 1.00 H new ATOM 0 HB3 ASN A 4 43.478 -16.922 -0.757 1.00 1.00 H new ATOM 0 HD21 ASN A 4 41.230 -17.649 2.227 1.00 1.00 H new ATOM 0 HD22 ASN A 4 42.595 -18.490 1.485 1.00 1.00 H new ATOM 61 N ARG A 5 42.523 -17.506 -4.438 1.00 1.00 N ATOM 62 CA ARG A 5 43.421 -17.540 -5.584 1.00 1.00 C ATOM 63 C ARG A 5 43.475 -16.172 -6.260 1.00 1.00 C ATOM 64 O ARG A 5 44.389 -15.887 -7.032 1.00 1.00 O ATOM 65 CB ARG A 5 42.952 -18.612 -6.579 1.00 1.00 C ATOM 66 CG ARG A 5 44.003 -18.828 -7.685 1.00 1.00 C ATOM 67 CD ARG A 5 45.314 -19.371 -7.084 1.00 1.00 C ATOM 68 NE ARG A 5 46.025 -20.181 -8.068 1.00 1.00 N ATOM 69 CZ ARG A 5 47.236 -20.662 -7.809 1.00 1.00 C ATOM 70 NH1 ARG A 5 47.805 -20.415 -6.659 1.00 1.00 N ATOM 71 NH2 ARG A 5 47.857 -21.387 -8.700 1.00 1.00 N ATOM 0 H ARG A 5 41.630 -17.977 -4.583 1.00 1.00 H new ATOM 0 HA ARG A 5 44.425 -17.791 -5.240 1.00 1.00 H new ATOM 0 HB2 ARG A 5 42.773 -19.550 -6.053 1.00 1.00 H new ATOM 0 HB3 ARG A 5 42.004 -18.311 -7.025 1.00 1.00 H new ATOM 0 HG2 ARG A 5 43.619 -19.527 -8.428 1.00 1.00 H new ATOM 0 HG3 ARG A 5 44.195 -17.888 -8.202 1.00 1.00 H new ATOM 0 HD2 ARG A 5 45.944 -18.543 -6.761 1.00 1.00 H new ATOM 0 HD3 ARG A 5 45.096 -19.969 -6.199 1.00 1.00 H new ATOM 0 HE ARG A 5 45.586 -20.381 -8.967 1.00 1.00 H new ATOM 0 HH11 ARG A 5 47.319 -19.853 -5.960 1.00 1.00 H new ATOM 0 HH12 ARG A 5 48.735 -20.784 -6.460 1.00 1.00 H new ATOM 0 HH21 ARG A 5 47.412 -21.585 -9.596 1.00 1.00 H new ATOM 0 HH22 ARG A 5 48.787 -21.756 -8.500 1.00 1.00 H new ATOM 85 N LYS A 6 42.491 -15.324 -5.961 1.00 1.00 N ATOM 86 CA LYS A 6 42.448 -13.984 -6.552 1.00 1.00 C ATOM 87 C LYS A 6 43.846 -13.365 -6.594 1.00 1.00 C ATOM 88 O LYS A 6 44.109 -12.457 -7.382 1.00 1.00 O ATOM 89 CB LYS A 6 41.507 -13.070 -5.752 1.00 1.00 C ATOM 90 CG LYS A 6 41.735 -13.284 -4.253 1.00 1.00 C ATOM 91 CD LYS A 6 40.895 -12.279 -3.460 1.00 1.00 C ATOM 92 CE LYS A 6 41.151 -12.465 -1.963 1.00 1.00 C ATOM 93 NZ LYS A 6 40.567 -13.762 -1.515 1.00 1.00 N ATOM 0 H LYS A 6 41.723 -15.535 -5.323 1.00 1.00 H new ATOM 0 HA LYS A 6 42.072 -14.081 -7.571 1.00 1.00 H new ATOM 0 HB2 LYS A 6 41.688 -12.027 -6.012 1.00 1.00 H new ATOM 0 HB3 LYS A 6 40.470 -13.287 -6.007 1.00 1.00 H new ATOM 0 HG2 LYS A 6 41.462 -14.302 -3.975 1.00 1.00 H new ATOM 0 HG3 LYS A 6 42.791 -13.160 -4.014 1.00 1.00 H new ATOM 0 HD2 LYS A 6 41.148 -11.262 -3.759 1.00 1.00 H new ATOM 0 HD3 LYS A 6 39.837 -12.421 -3.679 1.00 1.00 H new ATOM 0 HE2 LYS A 6 42.222 -12.448 -1.762 1.00 1.00 H new ATOM 0 HE3 LYS A 6 40.708 -11.642 -1.403 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 39.783 -13.581 -0.856 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 40.211 -14.286 -2.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 41.299 -14.325 -1.036 1.00 1.00 H new ATOM 107 N ALA A 7 44.738 -13.863 -5.743 1.00 1.00 N ATOM 108 CA ALA A 7 46.102 -13.353 -5.696 1.00 1.00 C ATOM 109 C ALA A 7 46.934 -14.147 -4.694 1.00 1.00 C ATOM 110 O ALA A 7 47.290 -13.633 -3.633 1.00 1.00 O ATOM 111 CB ALA A 7 46.089 -11.874 -5.298 1.00 1.00 C ATOM 0 H ALA A 7 44.542 -14.614 -5.081 1.00 1.00 H new ATOM 0 HA ALA A 7 46.548 -13.459 -6.685 1.00 1.00 H new ATOM 0 HB1 ALA A 7 47.111 -11.497 -5.264 1.00 1.00 H new ATOM 0 HB2 ALA A 7 45.517 -11.305 -6.031 1.00 1.00 H new ATOM 0 HB3 ALA A 7 45.630 -11.766 -4.315 1.00 1.00 H new ATOM 117 N LYS A 8 47.254 -15.400 -5.032 1.00 1.00 N ATOM 118 CA LYS A 8 48.062 -16.243 -4.140 1.00 1.00 C ATOM 119 C LYS A 8 49.164 -16.931 -4.933 1.00 1.00 C ATOM 120 O LYS A 8 48.898 -17.698 -5.857 1.00 1.00 O ATOM 121 CB LYS A 8 47.185 -17.301 -3.453 1.00 1.00 C ATOM 122 CG LYS A 8 47.919 -17.887 -2.246 1.00 1.00 C ATOM 123 CD LYS A 8 46.980 -18.836 -1.500 1.00 1.00 C ATOM 124 CE LYS A 8 47.694 -19.414 -0.279 1.00 1.00 C ATOM 125 NZ LYS A 8 46.758 -20.301 0.467 1.00 1.00 N ATOM 0 H LYS A 8 46.972 -15.850 -5.903 1.00 1.00 H new ATOM 0 HA LYS A 8 48.507 -15.606 -3.375 1.00 1.00 H new ATOM 0 HB2 LYS A 8 46.244 -16.853 -3.134 1.00 1.00 H new ATOM 0 HB3 LYS A 8 46.938 -18.094 -4.159 1.00 1.00 H new ATOM 0 HG2 LYS A 8 48.812 -18.421 -2.572 1.00 1.00 H new ATOM 0 HG3 LYS A 8 48.250 -17.088 -1.583 1.00 1.00 H new ATOM 0 HD2 LYS A 8 46.081 -18.304 -1.189 1.00 1.00 H new ATOM 0 HD3 LYS A 8 46.661 -19.641 -2.161 1.00 1.00 H new ATOM 0 HE2 LYS A 8 48.574 -19.976 -0.591 1.00 1.00 H new ATOM 0 HE3 LYS A 8 48.042 -18.609 0.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 47.242 -20.696 1.299 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 45.931 -19.751 0.776 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 46.447 -21.076 -0.152 1.00 1.00 H new ATOM 139 N ALA A 9 50.403 -16.640 -4.564 1.00 1.00 N ATOM 140 CA ALA A 9 51.552 -17.232 -5.253 1.00 1.00 C ATOM 141 C ALA A 9 51.583 -16.776 -6.710 1.00 1.00 C ATOM 142 O ALA A 9 50.546 -16.720 -7.371 1.00 1.00 O ATOM 143 CB ALA A 9 51.471 -18.764 -5.193 1.00 1.00 C ATOM 0 H ALA A 9 50.642 -16.006 -3.802 1.00 1.00 H new ATOM 0 HA ALA A 9 52.465 -16.902 -4.756 1.00 1.00 H new ATOM 0 HB1 ALA A 9 52.330 -19.194 -5.708 1.00 1.00 H new ATOM 0 HB2 ALA A 9 51.472 -19.088 -4.152 1.00 1.00 H new ATOM 0 HB3 ALA A 9 50.553 -19.099 -5.676 1.00 1.00 H new ATOM 149 N LYS A 10 52.777 -16.452 -7.208 1.00 1.00 N ATOM 150 CA LYS A 10 52.934 -15.999 -8.596 1.00 1.00 C ATOM 151 C LYS A 10 54.090 -16.743 -9.278 1.00 1.00 C ATOM 152 O LYS A 10 55.111 -16.147 -9.615 1.00 1.00 O ATOM 153 CB LYS A 10 53.173 -14.469 -8.637 1.00 1.00 C ATOM 154 CG LYS A 10 53.892 -13.994 -7.367 1.00 1.00 C ATOM 155 CD LYS A 10 55.283 -14.626 -7.289 1.00 1.00 C ATOM 156 CE LYS A 10 56.046 -14.040 -6.100 1.00 1.00 C ATOM 157 NZ LYS A 10 56.016 -12.552 -6.173 1.00 1.00 N ATOM 0 H LYS A 10 53.647 -16.493 -6.677 1.00 1.00 H new ATOM 0 HA LYS A 10 52.016 -16.222 -9.140 1.00 1.00 H new ATOM 0 HB2 LYS A 10 53.768 -14.213 -9.514 1.00 1.00 H new ATOM 0 HB3 LYS A 10 52.219 -13.950 -8.736 1.00 1.00 H new ATOM 0 HG2 LYS A 10 53.976 -12.907 -7.371 1.00 1.00 H new ATOM 0 HG3 LYS A 10 53.310 -14.265 -6.486 1.00 1.00 H new ATOM 0 HD2 LYS A 10 55.197 -15.707 -7.182 1.00 1.00 H new ATOM 0 HD3 LYS A 10 55.831 -14.440 -8.213 1.00 1.00 H new ATOM 0 HE2 LYS A 10 55.598 -14.378 -5.165 1.00 1.00 H new ATOM 0 HE3 LYS A 10 57.077 -14.394 -6.106 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 56.878 -12.166 -5.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 55.967 -12.254 -7.168 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 55.182 -12.196 -5.664 1.00 1.00 H new ATOM 171 N PRO A 11 53.937 -18.029 -9.485 1.00 1.00 N ATOM 172 CA PRO A 11 54.981 -18.873 -10.142 1.00 1.00 C ATOM 173 C PRO A 11 55.005 -18.698 -11.657 1.00 1.00 C ATOM 174 O PRO A 11 54.070 -19.080 -12.363 1.00 1.00 O ATOM 175 CB PRO A 11 54.585 -20.294 -9.733 1.00 1.00 C ATOM 176 CG PRO A 11 53.097 -20.249 -9.561 1.00 1.00 C ATOM 177 CD PRO A 11 52.753 -18.822 -9.106 1.00 1.00 C ATOM 0 HA PRO A 11 55.992 -18.606 -9.834 1.00 1.00 H new ATOM 0 HB2 PRO A 11 54.872 -21.018 -10.495 1.00 1.00 H new ATOM 0 HB3 PRO A 11 55.080 -20.591 -8.808 1.00 1.00 H new ATOM 0 HG2 PRO A 11 52.591 -20.491 -10.496 1.00 1.00 H new ATOM 0 HG3 PRO A 11 52.770 -20.981 -8.823 1.00 1.00 H new ATOM 0 HD2 PRO A 11 51.852 -18.453 -9.597 1.00 1.00 H new ATOM 0 HD3 PRO A 11 52.571 -18.779 -8.032 1.00 1.00 H new ATOM 185 N VAL A 12 56.096 -18.109 -12.138 1.00 1.00 N ATOM 186 CA VAL A 12 56.271 -17.868 -13.566 1.00 1.00 C ATOM 187 C VAL A 12 56.351 -19.175 -14.321 1.00 1.00 C ATOM 188 O VAL A 12 55.753 -19.340 -15.384 1.00 1.00 O ATOM 189 CB VAL A 12 57.544 -17.062 -13.815 1.00 1.00 C ATOM 190 CG1 VAL A 12 57.541 -16.551 -15.254 1.00 1.00 C ATOM 191 CG2 VAL A 12 57.595 -15.881 -12.842 1.00 1.00 C ATOM 0 H VAL A 12 56.873 -17.790 -11.559 1.00 1.00 H new ATOM 0 HA VAL A 12 55.409 -17.303 -13.922 1.00 1.00 H new ATOM 0 HB VAL A 12 58.419 -17.693 -13.658 1.00 1.00 H new ATOM 0 HG11 VAL A 12 58.448 -15.975 -15.437 1.00 1.00 H new ATOM 0 HG12 VAL A 12 57.504 -17.397 -15.940 1.00 1.00 H new ATOM 0 HG13 VAL A 12 56.669 -15.916 -15.413 1.00 1.00 H new ATOM 0 HG21 VAL A 12 58.503 -15.304 -13.018 1.00 1.00 H new ATOM 0 HG22 VAL A 12 56.724 -15.244 -12.997 1.00 1.00 H new ATOM 0 HG23 VAL A 12 57.594 -16.253 -11.818 1.00 1.00 H new ATOM 201 N THR A 13 57.096 -20.098 -13.754 1.00 1.00 N ATOM 202 CA THR A 13 57.271 -21.413 -14.355 1.00 1.00 C ATOM 203 C THR A 13 55.939 -21.932 -14.876 1.00 1.00 C ATOM 204 O THR A 13 55.879 -22.642 -15.880 1.00 1.00 O ATOM 205 CB THR A 13 57.857 -22.381 -13.317 1.00 1.00 C ATOM 206 OG1 THR A 13 58.524 -23.444 -13.984 1.00 1.00 O ATOM 207 CG2 THR A 13 56.752 -22.950 -12.416 1.00 1.00 C ATOM 0 H THR A 13 57.595 -19.967 -12.874 1.00 1.00 H new ATOM 0 HA THR A 13 57.962 -21.336 -15.195 1.00 1.00 H new ATOM 0 HB THR A 13 58.564 -21.835 -12.692 1.00 1.00 H new ATOM 0 HG1 THR A 13 58.899 -24.061 -13.322 1.00 1.00 H new ATOM 0 HG21 THR A 13 57.191 -23.633 -11.689 1.00 1.00 H new ATOM 0 HG22 THR A 13 56.253 -22.134 -11.893 1.00 1.00 H new ATOM 0 HG23 THR A 13 56.026 -23.487 -13.026 1.00 1.00 H new ATOM 215 N ARG A 14 54.872 -21.561 -14.178 1.00 1.00 N ATOM 216 CA ARG A 14 53.521 -21.988 -14.571 1.00 1.00 C ATOM 217 C ARG A 14 52.505 -20.874 -14.321 1.00 1.00 C ATOM 218 O ARG A 14 51.869 -20.844 -13.268 1.00 1.00 O ATOM 219 CB ARG A 14 53.098 -23.231 -13.772 1.00 1.00 C ATOM 220 CG ARG A 14 53.270 -22.976 -12.249 1.00 1.00 C ATOM 221 CD ARG A 14 52.012 -23.404 -11.482 1.00 1.00 C ATOM 222 NE ARG A 14 52.122 -23.012 -10.084 1.00 1.00 N ATOM 223 CZ ARG A 14 52.843 -23.723 -9.225 1.00 1.00 C ATOM 224 NH1 ARG A 14 53.484 -24.783 -9.634 1.00 1.00 N ATOM 225 NH2 ARG A 14 52.912 -23.356 -7.976 1.00 1.00 N ATOM 0 H ARG A 14 54.907 -20.972 -13.346 1.00 1.00 H new ATOM 0 HA ARG A 14 53.545 -22.224 -15.635 1.00 1.00 H new ATOM 0 HB2 ARG A 14 52.059 -23.477 -13.992 1.00 1.00 H new ATOM 0 HB3 ARG A 14 53.699 -24.088 -14.074 1.00 1.00 H new ATOM 0 HG2 ARG A 14 54.134 -23.528 -11.878 1.00 1.00 H new ATOM 0 HG3 ARG A 14 53.468 -21.919 -12.072 1.00 1.00 H new ATOM 0 HD2 ARG A 14 51.130 -22.944 -11.929 1.00 1.00 H new ATOM 0 HD3 ARG A 14 51.881 -24.484 -11.556 1.00 1.00 H new ATOM 0 HE ARG A 14 51.636 -22.176 -9.759 1.00 1.00 H new ATOM 0 HH11 ARG A 14 53.431 -25.065 -10.613 1.00 1.00 H new ATOM 0 HH12 ARG A 14 54.038 -25.330 -8.975 1.00 1.00 H new ATOM 0 HH21 ARG A 14 52.413 -22.524 -7.660 1.00 1.00 H new ATOM 0 HH22 ARG A 14 53.465 -23.901 -7.314 1.00 1.00 H new ATOM 239 N GLY A 15 52.361 -19.969 -15.300 1.00 1.00 N ATOM 240 CA GLY A 15 51.416 -18.830 -15.210 1.00 1.00 C ATOM 241 C GLY A 15 50.510 -18.899 -13.978 1.00 1.00 C ATOM 242 O GLY A 15 50.821 -18.324 -12.937 1.00 1.00 O ATOM 0 H GLY A 15 52.888 -19.999 -16.173 1.00 1.00 H new ATOM 0 HA2 GLY A 15 51.981 -17.898 -15.187 1.00 1.00 H new ATOM 0 HA3 GLY A 15 50.798 -18.806 -16.108 1.00 1.00 H new ATOM 246 N THR A 16 49.401 -19.625 -14.104 1.00 1.00 N ATOM 247 CA THR A 16 48.457 -19.780 -12.997 1.00 1.00 C ATOM 248 C THR A 16 47.542 -20.980 -13.241 1.00 1.00 C ATOM 249 O THR A 16 47.994 -22.125 -13.248 1.00 1.00 O ATOM 250 CB THR A 16 47.602 -18.508 -12.825 1.00 1.00 C ATOM 251 OG1 THR A 16 47.163 -18.059 -14.104 1.00 1.00 O ATOM 252 CG2 THR A 16 48.417 -17.396 -12.151 1.00 1.00 C ATOM 0 H THR A 16 49.134 -20.114 -14.958 1.00 1.00 H new ATOM 0 HA THR A 16 49.032 -19.945 -12.086 1.00 1.00 H new ATOM 0 HB THR A 16 46.744 -18.745 -12.196 1.00 1.00 H new ATOM 0 HG1 THR A 16 46.618 -17.252 -13.998 1.00 1.00 H new ATOM 0 HG21 THR A 16 47.796 -16.507 -12.039 1.00 1.00 H new ATOM 0 HG22 THR A 16 48.750 -17.733 -11.169 1.00 1.00 H new ATOM 0 HG23 THR A 16 49.285 -17.157 -12.766 1.00 1.00 H new ATOM 260 N GLY A 17 46.251 -20.709 -13.432 1.00 1.00 N ATOM 261 CA GLY A 17 45.268 -21.765 -13.666 1.00 1.00 C ATOM 262 C GLY A 17 44.351 -21.407 -14.828 1.00 1.00 C ATOM 263 O GLY A 17 44.786 -21.402 -15.979 1.00 1.00 O ATOM 0 H GLY A 17 45.862 -19.766 -13.429 1.00 1.00 H new ATOM 0 HA2 GLY A 17 45.780 -22.704 -13.878 1.00 1.00 H new ATOM 0 HA3 GLY A 17 44.675 -21.922 -12.765 1.00 1.00 H new ATOM 267 N ALA A 18 43.083 -21.107 -14.510 1.00 1.00 N ATOM 268 CA ALA A 18 42.080 -20.749 -15.514 1.00 1.00 C ATOM 269 C ALA A 18 40.690 -21.173 -14.998 1.00 1.00 C ATOM 270 O ALA A 18 40.587 -22.135 -14.238 1.00 1.00 O ATOM 271 CB ALA A 18 42.362 -21.465 -16.855 1.00 1.00 C ATOM 0 H ALA A 18 42.729 -21.107 -13.553 1.00 1.00 H new ATOM 0 HA ALA A 18 42.117 -19.673 -15.682 1.00 1.00 H new ATOM 0 HB1 ALA A 18 41.603 -21.183 -17.585 1.00 1.00 H new ATOM 0 HB2 ALA A 18 43.346 -21.174 -17.223 1.00 1.00 H new ATOM 0 HB3 ALA A 18 42.336 -22.544 -16.704 1.00 1.00 H new ATOM 277 N GLY A 19 39.624 -20.482 -15.414 1.00 1.00 N ATOM 278 CA GLY A 19 38.276 -20.859 -14.973 1.00 1.00 C ATOM 279 C GLY A 19 38.172 -20.905 -13.446 1.00 1.00 C ATOM 280 O GLY A 19 37.486 -21.763 -12.891 1.00 1.00 O ATOM 0 H GLY A 19 39.664 -19.678 -16.040 1.00 1.00 H new ATOM 0 HA2 GLY A 19 37.552 -20.145 -15.366 1.00 1.00 H new ATOM 0 HA3 GLY A 19 38.018 -21.835 -15.385 1.00 1.00 H new ATOM 284 N SER A 20 38.862 -19.991 -12.772 1.00 1.00 N ATOM 285 CA SER A 20 38.846 -19.954 -11.307 1.00 1.00 C ATOM 286 C SER A 20 37.424 -20.046 -10.772 1.00 1.00 C ATOM 287 O SER A 20 37.182 -20.668 -9.739 1.00 1.00 O ATOM 288 CB SER A 20 39.508 -18.672 -10.794 1.00 1.00 C ATOM 289 OG SER A 20 38.838 -17.545 -11.345 1.00 1.00 O ATOM 0 H SER A 20 39.436 -19.270 -13.209 1.00 1.00 H new ATOM 0 HA SER A 20 39.409 -20.816 -10.948 1.00 1.00 H new ATOM 0 HB2 SER A 20 39.466 -18.638 -9.705 1.00 1.00 H new ATOM 0 HB3 SER A 20 40.561 -18.656 -11.073 1.00 1.00 H new ATOM 0 HG SER A 20 39.258 -16.722 -11.017 1.00 1.00 H new ATOM 295 N ARG A 21 36.498 -19.433 -11.489 1.00 1.00 N ATOM 296 CA ARG A 21 35.081 -19.455 -11.100 1.00 1.00 C ATOM 297 C ARG A 21 34.887 -18.851 -9.705 1.00 1.00 C ATOM 298 O ARG A 21 34.971 -19.563 -8.705 1.00 1.00 O ATOM 299 CB ARG A 21 34.578 -20.908 -11.095 1.00 1.00 C ATOM 300 CG ARG A 21 33.051 -20.964 -10.794 1.00 1.00 C ATOM 301 CD ARG A 21 32.782 -21.853 -9.570 1.00 1.00 C ATOM 302 NE ARG A 21 33.203 -21.158 -8.352 1.00 1.00 N ATOM 303 CZ ARG A 21 33.906 -21.757 -7.385 1.00 1.00 C ATOM 304 NH1 ARG A 21 34.228 -23.020 -7.472 1.00 1.00 N ATOM 305 NH2 ARG A 21 34.271 -21.071 -6.336 1.00 1.00 N ATOM 0 H ARG A 21 36.692 -18.912 -12.344 1.00 1.00 H new ATOM 0 HA ARG A 21 34.516 -18.862 -11.819 1.00 1.00 H new ATOM 0 HB2 ARG A 21 34.780 -21.371 -12.061 1.00 1.00 H new ATOM 0 HB3 ARG A 21 35.122 -21.483 -10.346 1.00 1.00 H new ATOM 0 HG2 ARG A 21 32.672 -19.958 -10.612 1.00 1.00 H new ATOM 0 HG3 ARG A 21 32.517 -21.354 -11.660 1.00 1.00 H new ATOM 0 HD2 ARG A 21 31.721 -22.097 -9.512 1.00 1.00 H new ATOM 0 HD3 ARG A 21 33.321 -22.795 -9.667 1.00 1.00 H new ATOM 0 HE ARG A 21 32.950 -20.177 -8.236 1.00 1.00 H new ATOM 0 HH11 ARG A 21 33.943 -23.564 -8.286 1.00 1.00 H new ATOM 0 HH12 ARG A 21 34.765 -23.462 -6.726 1.00 1.00 H new ATOM 0 HH21 ARG A 21 34.020 -20.085 -6.258 1.00 1.00 H new ATOM 0 HH22 ARG A 21 34.807 -21.521 -5.594 1.00 1.00 H new ATOM 319 N PRO A 22 34.637 -17.564 -9.605 1.00 1.00 N ATOM 320 CA PRO A 22 34.440 -16.901 -8.284 1.00 1.00 C ATOM 321 C PRO A 22 33.301 -17.531 -7.481 1.00 1.00 C ATOM 322 O PRO A 22 33.518 -18.052 -6.388 1.00 1.00 O ATOM 323 CB PRO A 22 34.148 -15.423 -8.636 1.00 1.00 C ATOM 324 CG PRO A 22 34.628 -15.242 -10.047 1.00 1.00 C ATOM 325 CD PRO A 22 34.522 -16.611 -10.721 1.00 1.00 C ATOM 0 HA PRO A 22 35.314 -17.009 -7.642 1.00 1.00 H new ATOM 0 HB2 PRO A 22 33.084 -15.203 -8.553 1.00 1.00 H new ATOM 0 HB3 PRO A 22 34.667 -14.748 -7.956 1.00 1.00 H new ATOM 0 HG2 PRO A 22 34.021 -14.504 -10.571 1.00 1.00 H new ATOM 0 HG3 PRO A 22 35.656 -14.880 -10.064 1.00 1.00 H new ATOM 0 HD2 PRO A 22 33.575 -16.725 -11.248 1.00 1.00 H new ATOM 0 HD3 PRO A 22 35.314 -16.758 -11.455 1.00 1.00 H new ATOM 333 N ARG A 23 32.105 -17.490 -8.048 1.00 1.00 N ATOM 334 CA ARG A 23 30.912 -18.061 -7.399 1.00 1.00 C ATOM 335 C ARG A 23 30.831 -17.621 -5.931 1.00 1.00 C ATOM 336 O ARG A 23 31.749 -16.995 -5.405 1.00 1.00 O ATOM 337 CB ARG A 23 30.955 -19.599 -7.504 1.00 1.00 C ATOM 338 CG ARG A 23 29.617 -20.210 -7.048 1.00 1.00 C ATOM 339 CD ARG A 23 29.560 -21.690 -7.433 1.00 1.00 C ATOM 340 NE ARG A 23 28.325 -22.288 -6.931 1.00 1.00 N ATOM 341 CZ ARG A 23 28.130 -23.603 -6.961 1.00 1.00 C ATOM 342 NH1 ARG A 23 29.056 -24.392 -7.433 1.00 1.00 N ATOM 343 NH2 ARG A 23 27.010 -24.106 -6.513 1.00 1.00 N ATOM 0 H ARG A 23 31.924 -17.068 -8.959 1.00 1.00 H new ATOM 0 HA ARG A 23 30.021 -17.694 -7.908 1.00 1.00 H new ATOM 0 HB2 ARG A 23 31.164 -19.893 -8.533 1.00 1.00 H new ATOM 0 HB3 ARG A 23 31.767 -19.988 -6.890 1.00 1.00 H new ATOM 0 HG2 ARG A 23 29.507 -20.102 -5.969 1.00 1.00 H new ATOM 0 HG3 ARG A 23 28.787 -19.674 -7.508 1.00 1.00 H new ATOM 0 HD2 ARG A 23 29.611 -21.795 -8.517 1.00 1.00 H new ATOM 0 HD3 ARG A 23 30.422 -22.215 -7.021 1.00 1.00 H new ATOM 0 HE ARG A 23 27.597 -21.684 -6.549 1.00 1.00 H new ATOM 0 HH11 ARG A 23 29.932 -24.000 -7.780 1.00 1.00 H new ATOM 0 HH12 ARG A 23 28.904 -25.400 -7.455 1.00 1.00 H new ATOM 0 HH21 ARG A 23 26.287 -23.490 -6.141 1.00 1.00 H new ATOM 0 HH22 ARG A 23 26.859 -25.114 -6.535 1.00 1.00 H new ATOM 357 N GLY A 24 29.721 -17.939 -5.276 1.00 1.00 N ATOM 358 CA GLY A 24 29.536 -17.570 -3.883 1.00 1.00 C ATOM 359 C GLY A 24 28.108 -17.840 -3.446 1.00 1.00 C ATOM 360 O GLY A 24 27.166 -17.409 -4.106 1.00 1.00 O ATOM 0 H GLY A 24 28.940 -18.450 -5.687 1.00 1.00 H new ATOM 0 HA2 GLY A 24 30.227 -18.134 -3.257 1.00 1.00 H new ATOM 0 HA3 GLY A 24 29.771 -16.514 -3.746 1.00 1.00 H new ATOM 364 N GLN A 25 27.961 -18.554 -2.332 1.00 1.00 N ATOM 365 CA GLN A 25 26.638 -18.880 -1.798 1.00 1.00 C ATOM 366 C GLN A 25 25.704 -17.683 -1.937 1.00 1.00 C ATOM 367 O GLN A 25 25.589 -16.864 -1.024 1.00 1.00 O ATOM 368 CB GLN A 25 26.750 -19.274 -0.317 1.00 1.00 C ATOM 369 CG GLN A 25 27.780 -18.371 0.375 1.00 1.00 C ATOM 370 CD GLN A 25 27.572 -18.394 1.886 1.00 1.00 C ATOM 371 OE1 GLN A 25 27.264 -17.284 2.506 1.00 1.00 O flip ATOM 372 NE2 GLN A 25 27.692 -19.444 2.517 1.00 1.00 N flip ATOM 0 H GLN A 25 28.739 -18.918 -1.782 1.00 1.00 H new ATOM 0 HA GLN A 25 26.232 -19.718 -2.364 1.00 1.00 H new ATOM 0 HB2 GLN A 25 25.780 -19.178 0.171 1.00 1.00 H new ATOM 0 HB3 GLN A 25 27.049 -20.319 -0.229 1.00 1.00 H new ATOM 0 HG2 GLN A 25 28.789 -18.707 0.135 1.00 1.00 H new ATOM 0 HG3 GLN A 25 27.687 -17.350 0.004 1.00 1.00 H new ATOM 0 HE21 GLN A 25 27.932 -20.307 2.030 1.00 1.00 H new ATOM 0 HE22 GLN A 25 27.551 -19.451 3.527 1.00 1.00 H new ATOM 381 N ASN A 26 25.051 -17.586 -3.091 1.00 1.00 N ATOM 382 CA ASN A 26 24.127 -16.471 -3.364 1.00 1.00 C ATOM 383 C ASN A 26 22.723 -16.970 -3.664 1.00 1.00 C ATOM 384 O ASN A 26 22.165 -16.663 -4.716 1.00 1.00 O ATOM 385 CB ASN A 26 24.629 -15.621 -4.549 1.00 1.00 C ATOM 386 CG ASN A 26 25.791 -14.751 -4.096 1.00 1.00 C ATOM 387 OD1 ASN A 26 25.708 -14.149 -2.946 1.00 1.00 O flip ATOM 388 ND2 ASN A 26 26.788 -14.613 -4.805 1.00 1.00 N flip ATOM 0 H ASN A 26 25.138 -18.258 -3.853 1.00 1.00 H new ATOM 0 HA ASN A 26 24.094 -15.856 -2.465 1.00 1.00 H new ATOM 0 HB2 ASN A 26 24.944 -16.269 -5.367 1.00 1.00 H new ATOM 0 HB3 ASN A 26 23.821 -14.997 -4.930 1.00 1.00 H new ATOM 0 HD21 ASN A 26 26.844 -15.089 -5.705 1.00 1.00 H new ATOM 0 HD22 ASN A 26 27.558 -14.022 -4.492 1.00 1.00 H new ATOM 395 N LYS A 27 22.143 -17.723 -2.726 1.00 1.00 N ATOM 396 CA LYS A 27 20.783 -18.238 -2.901 1.00 1.00 C ATOM 397 C LYS A 27 19.822 -17.575 -1.915 1.00 1.00 C ATOM 398 O LYS A 27 18.605 -17.630 -2.093 1.00 1.00 O ATOM 399 CB LYS A 27 20.766 -19.768 -2.711 1.00 1.00 C ATOM 400 CG LYS A 27 19.536 -20.383 -3.409 1.00 1.00 C ATOM 401 CD LYS A 27 19.844 -20.652 -4.888 1.00 1.00 C ATOM 402 CE LYS A 27 18.617 -21.268 -5.560 1.00 1.00 C ATOM 403 NZ LYS A 27 18.912 -21.515 -6.999 1.00 1.00 N ATOM 0 H LYS A 27 22.588 -17.987 -1.847 1.00 1.00 H new ATOM 0 HA LYS A 27 20.454 -18.002 -3.913 1.00 1.00 H new ATOM 0 HB2 LYS A 27 21.679 -20.202 -3.120 1.00 1.00 H new ATOM 0 HB3 LYS A 27 20.747 -20.009 -1.648 1.00 1.00 H new ATOM 0 HG2 LYS A 27 19.255 -21.312 -2.914 1.00 1.00 H new ATOM 0 HG3 LYS A 27 18.685 -19.707 -3.325 1.00 1.00 H new ATOM 0 HD2 LYS A 27 20.118 -19.723 -5.388 1.00 1.00 H new ATOM 0 HD3 LYS A 27 20.697 -21.325 -4.976 1.00 1.00 H new ATOM 0 HE2 LYS A 27 18.349 -22.202 -5.067 1.00 1.00 H new ATOM 0 HE3 LYS A 27 17.761 -20.600 -5.462 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 18.078 -21.934 -7.457 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 19.147 -20.615 -7.465 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 19.717 -22.168 -7.081 1.00 1.00 H new ATOM 417 N GLU A 28 20.367 -16.962 -0.867 1.00 1.00 N ATOM 418 CA GLU A 28 19.538 -16.318 0.138 1.00 1.00 C ATOM 419 C GLU A 28 20.392 -15.538 1.127 1.00 1.00 C ATOM 420 O GLU A 28 20.025 -15.381 2.292 1.00 1.00 O ATOM 421 CB GLU A 28 18.752 -17.384 0.883 1.00 1.00 C ATOM 422 CG GLU A 28 19.720 -18.474 1.353 1.00 1.00 C ATOM 423 CD GLU A 28 18.949 -19.588 2.051 1.00 1.00 C ATOM 424 OE1 GLU A 28 17.935 -19.290 2.663 1.00 1.00 O ATOM 425 OE2 GLU A 28 19.379 -20.726 1.957 1.00 1.00 O ATOM 0 H GLU A 28 21.371 -16.900 -0.696 1.00 1.00 H new ATOM 0 HA GLU A 28 18.861 -15.621 -0.356 1.00 1.00 H new ATOM 0 HB2 GLU A 28 18.236 -16.945 1.736 1.00 1.00 H new ATOM 0 HB3 GLU A 28 17.988 -17.812 0.234 1.00 1.00 H new ATOM 0 HG2 GLU A 28 20.268 -18.878 0.501 1.00 1.00 H new ATOM 0 HG3 GLU A 28 20.457 -18.049 2.034 1.00 1.00 H new ATOM 432 N ARG A 29 21.536 -15.059 0.658 1.00 1.00 N ATOM 433 CA ARG A 29 22.456 -14.297 1.508 1.00 1.00 C ATOM 434 C ARG A 29 22.944 -13.041 0.771 1.00 1.00 C ATOM 435 O ARG A 29 23.102 -13.062 -0.451 1.00 1.00 O ATOM 436 CB ARG A 29 23.645 -15.191 1.888 1.00 1.00 C ATOM 437 CG ARG A 29 23.107 -16.515 2.447 1.00 1.00 C ATOM 438 CD ARG A 29 24.264 -17.435 2.858 1.00 1.00 C ATOM 439 NE ARG A 29 25.012 -16.860 3.972 1.00 1.00 N ATOM 440 CZ ARG A 29 24.475 -16.759 5.186 1.00 1.00 C ATOM 441 NH1 ARG A 29 23.264 -17.198 5.405 1.00 1.00 N ATOM 442 NH2 ARG A 29 25.161 -16.229 6.161 1.00 1.00 N ATOM 0 H ARG A 29 21.854 -15.181 -0.304 1.00 1.00 H new ATOM 0 HA ARG A 29 21.938 -13.980 2.413 1.00 1.00 H new ATOM 0 HB2 ARG A 29 24.272 -15.376 1.016 1.00 1.00 H new ATOM 0 HB3 ARG A 29 24.270 -14.694 2.630 1.00 1.00 H new ATOM 0 HG2 ARG A 29 22.467 -16.320 3.307 1.00 1.00 H new ATOM 0 HG3 ARG A 29 22.490 -17.010 1.696 1.00 1.00 H new ATOM 0 HD2 ARG A 29 23.874 -18.413 3.142 1.00 1.00 H new ATOM 0 HD3 ARG A 29 24.930 -17.591 2.009 1.00 1.00 H new ATOM 0 HE ARG A 29 25.964 -16.529 3.817 1.00 1.00 H new ATOM 0 HH11 ARG A 29 22.729 -17.619 4.645 1.00 1.00 H new ATOM 0 HH12 ARG A 29 22.854 -17.120 6.336 1.00 1.00 H new ATOM 0 HH21 ARG A 29 26.109 -15.892 5.993 1.00 1.00 H new ATOM 0 HH22 ARG A 29 24.749 -16.152 7.091 1.00 1.00 H new ATOM 456 N PRO A 30 23.182 -11.950 1.473 1.00 1.00 N ATOM 457 CA PRO A 30 23.651 -10.677 0.838 1.00 1.00 C ATOM 458 C PRO A 30 25.116 -10.800 0.384 1.00 1.00 C ATOM 459 O PRO A 30 25.811 -11.720 0.797 1.00 1.00 O ATOM 460 CB PRO A 30 23.450 -9.647 1.960 1.00 1.00 C ATOM 461 CG PRO A 30 23.646 -10.425 3.215 1.00 1.00 C ATOM 462 CD PRO A 30 23.038 -11.798 2.936 1.00 1.00 C ATOM 0 HA PRO A 30 23.114 -10.403 -0.070 1.00 1.00 H new ATOM 0 HB2 PRO A 30 24.167 -8.830 1.883 1.00 1.00 H new ATOM 0 HB3 PRO A 30 22.455 -9.203 1.919 1.00 1.00 H new ATOM 0 HG2 PRO A 30 24.704 -10.507 3.466 1.00 1.00 H new ATOM 0 HG3 PRO A 30 23.154 -9.941 4.059 1.00 1.00 H new ATOM 0 HD2 PRO A 30 23.564 -12.586 3.475 1.00 1.00 H new ATOM 0 HD3 PRO A 30 21.993 -11.844 3.243 1.00 1.00 H new ATOM 470 N PRO A 31 25.579 -9.936 -0.490 1.00 1.00 N ATOM 471 CA PRO A 31 26.975 -10.002 -1.034 1.00 1.00 C ATOM 472 C PRO A 31 28.069 -10.338 -0.001 1.00 1.00 C ATOM 473 O PRO A 31 28.968 -11.123 -0.300 1.00 1.00 O ATOM 474 CB PRO A 31 27.216 -8.613 -1.652 1.00 1.00 C ATOM 475 CG PRO A 31 25.852 -8.031 -1.919 1.00 1.00 C ATOM 476 CD PRO A 31 24.826 -8.805 -1.061 1.00 1.00 C ATOM 0 HA PRO A 31 27.048 -10.824 -1.746 1.00 1.00 H new ATOM 0 HB2 PRO A 31 27.784 -7.978 -0.973 1.00 1.00 H new ATOM 0 HB3 PRO A 31 27.793 -8.691 -2.573 1.00 1.00 H new ATOM 0 HG2 PRO A 31 25.835 -6.970 -1.669 1.00 1.00 H new ATOM 0 HG3 PRO A 31 25.603 -8.113 -2.977 1.00 1.00 H new ATOM 0 HD2 PRO A 31 24.410 -8.172 -0.277 1.00 1.00 H new ATOM 0 HD3 PRO A 31 23.989 -9.154 -1.666 1.00 1.00 H new ATOM 484 N PRO A 32 28.051 -9.755 1.176 1.00 1.00 N ATOM 485 CA PRO A 32 29.107 -9.998 2.207 1.00 1.00 C ATOM 486 C PRO A 32 29.010 -11.379 2.871 1.00 1.00 C ATOM 487 O PRO A 32 28.486 -11.524 3.977 1.00 1.00 O ATOM 488 CB PRO A 32 28.893 -8.843 3.226 1.00 1.00 C ATOM 489 CG PRO A 32 27.879 -7.930 2.596 1.00 1.00 C ATOM 490 CD PRO A 32 27.048 -8.820 1.686 1.00 1.00 C ATOM 0 HA PRO A 32 30.105 -10.004 1.769 1.00 1.00 H new ATOM 0 HB2 PRO A 32 28.536 -9.225 4.182 1.00 1.00 H new ATOM 0 HB3 PRO A 32 29.827 -8.316 3.422 1.00 1.00 H new ATOM 0 HG2 PRO A 32 27.257 -7.451 3.352 1.00 1.00 H new ATOM 0 HG3 PRO A 32 28.364 -7.134 2.031 1.00 1.00 H new ATOM 0 HD2 PRO A 32 26.253 -9.331 2.230 1.00 1.00 H new ATOM 0 HD3 PRO A 32 26.573 -8.254 0.885 1.00 1.00 H new ATOM 498 N VAL A 33 29.543 -12.389 2.188 1.00 1.00 N ATOM 499 CA VAL A 33 29.550 -13.758 2.702 1.00 1.00 C ATOM 500 C VAL A 33 30.973 -14.296 2.951 1.00 1.00 C ATOM 501 O VAL A 33 31.116 -15.310 3.635 1.00 1.00 O ATOM 502 CB VAL A 33 28.846 -14.675 1.708 1.00 1.00 C ATOM 503 CG1 VAL A 33 27.349 -14.363 1.705 1.00 1.00 C ATOM 504 CG2 VAL A 33 29.431 -14.465 0.307 1.00 1.00 C ATOM 0 H VAL A 33 29.978 -12.285 1.272 1.00 1.00 H new ATOM 0 HA VAL A 33 29.030 -13.742 3.660 1.00 1.00 H new ATOM 0 HB VAL A 33 28.996 -15.715 1.999 1.00 1.00 H new ATOM 0 HG11 VAL A 33 26.842 -15.017 0.995 1.00 1.00 H new ATOM 0 HG12 VAL A 33 26.941 -14.526 2.703 1.00 1.00 H new ATOM 0 HG13 VAL A 33 27.195 -13.324 1.415 1.00 1.00 H new ATOM 0 HG21 VAL A 33 28.925 -15.122 -0.401 1.00 1.00 H new ATOM 0 HG22 VAL A 33 29.288 -13.428 0.005 1.00 1.00 H new ATOM 0 HG23 VAL A 33 30.496 -14.696 0.319 1.00 1.00 H new ATOM 514 N PRO A 34 32.027 -13.688 2.427 1.00 1.00 N ATOM 515 CA PRO A 34 33.406 -14.203 2.644 1.00 1.00 C ATOM 516 C PRO A 34 33.975 -13.782 3.994 1.00 1.00 C ATOM 517 O PRO A 34 34.187 -12.597 4.248 1.00 1.00 O ATOM 518 CB PRO A 34 34.199 -13.582 1.492 1.00 1.00 C ATOM 519 CG PRO A 34 33.528 -12.273 1.234 1.00 1.00 C ATOM 520 CD PRO A 34 32.047 -12.466 1.590 1.00 1.00 C ATOM 0 HA PRO A 34 33.443 -15.292 2.658 1.00 1.00 H new ATOM 0 HB2 PRO A 34 35.246 -13.444 1.761 1.00 1.00 H new ATOM 0 HB3 PRO A 34 34.178 -14.219 0.608 1.00 1.00 H new ATOM 0 HG2 PRO A 34 33.973 -11.483 1.839 1.00 1.00 H new ATOM 0 HG3 PRO A 34 33.641 -11.978 0.191 1.00 1.00 H new ATOM 0 HD2 PRO A 34 31.653 -11.606 2.132 1.00 1.00 H new ATOM 0 HD3 PRO A 34 31.436 -12.586 0.696 1.00 1.00 H new ATOM 528 N ASN A 35 34.226 -14.770 4.847 1.00 1.00 N ATOM 529 CA ASN A 35 34.785 -14.523 6.178 1.00 1.00 C ATOM 530 C ASN A 35 36.247 -14.975 6.225 1.00 1.00 C ATOM 531 O ASN A 35 37.096 -14.291 6.796 1.00 1.00 O ATOM 532 CB ASN A 35 33.970 -15.275 7.258 1.00 1.00 C ATOM 533 CG ASN A 35 32.644 -15.771 6.682 1.00 1.00 C ATOM 534 OD1 ASN A 35 32.448 -16.975 6.519 1.00 1.00 O ATOM 535 ND2 ASN A 35 31.718 -14.909 6.364 1.00 1.00 N ATOM 0 H ASN A 35 34.051 -15.754 4.642 1.00 1.00 H new ATOM 0 HA ASN A 35 34.732 -13.453 6.381 1.00 1.00 H new ATOM 0 HB2 ASN A 35 34.547 -16.119 7.635 1.00 1.00 H new ATOM 0 HB3 ASN A 35 33.781 -14.615 8.104 1.00 1.00 H new ATOM 0 HD21 ASN A 35 30.830 -15.233 5.980 1.00 1.00 H new ATOM 0 HD22 ASN A 35 31.882 -13.911 6.500 1.00 1.00 H new ATOM 542 N PRO A 36 36.550 -16.111 5.644 1.00 1.00 N ATOM 543 CA PRO A 36 37.935 -16.656 5.631 1.00 1.00 C ATOM 544 C PRO A 36 38.902 -15.679 4.969 1.00 1.00 C ATOM 545 O PRO A 36 40.116 -15.773 5.148 1.00 1.00 O ATOM 546 CB PRO A 36 37.818 -17.977 4.839 1.00 1.00 C ATOM 547 CG PRO A 36 36.366 -18.332 4.891 1.00 1.00 C ATOM 548 CD PRO A 36 35.615 -17.003 4.938 1.00 1.00 C ATOM 0 HA PRO A 36 38.333 -16.818 6.633 1.00 1.00 H new ATOM 0 HB2 PRO A 36 38.157 -17.852 3.811 1.00 1.00 H new ATOM 0 HB3 PRO A 36 38.432 -18.760 5.284 1.00 1.00 H new ATOM 0 HG2 PRO A 36 36.074 -18.915 4.018 1.00 1.00 H new ATOM 0 HG3 PRO A 36 36.143 -18.939 5.769 1.00 1.00 H new ATOM 0 HD2 PRO A 36 35.385 -16.635 3.938 1.00 1.00 H new ATOM 0 HD3 PRO A 36 34.668 -17.095 5.469 1.00 1.00 H new ATOM 556 N ASP A 37 38.348 -14.740 4.211 1.00 1.00 N ATOM 557 CA ASP A 37 39.176 -13.745 3.532 1.00 1.00 C ATOM 558 C ASP A 37 39.936 -12.906 4.549 1.00 1.00 C ATOM 559 O ASP A 37 40.765 -12.079 4.177 1.00 1.00 O ATOM 560 CB ASP A 37 38.337 -12.824 2.633 1.00 1.00 C ATOM 561 CG ASP A 37 39.267 -11.963 1.784 1.00 1.00 C ATOM 562 OD1 ASP A 37 40.448 -12.267 1.742 1.00 1.00 O ATOM 563 OD2 ASP A 37 38.787 -11.013 1.190 1.00 1.00 O ATOM 0 H ASP A 37 37.345 -14.645 4.051 1.00 1.00 H new ATOM 0 HA ASP A 37 39.882 -14.286 2.902 1.00 1.00 H new ATOM 0 HB2 ASP A 37 37.686 -13.418 1.991 1.00 1.00 H new ATOM 0 HB3 ASP A 37 37.692 -12.191 3.243 1.00 1.00 H new ATOM 568 N TYR A 38 39.646 -13.113 5.840 1.00 1.00 N ATOM 569 CA TYR A 38 40.329 -12.356 6.903 1.00 1.00 C ATOM 570 C TYR A 38 41.459 -13.203 7.526 1.00 1.00 C ATOM 571 O TYR A 38 41.955 -12.890 8.607 1.00 1.00 O ATOM 572 CB TYR A 38 39.309 -11.922 7.988 1.00 1.00 C ATOM 573 CG TYR A 38 39.618 -10.518 8.483 1.00 1.00 C ATOM 574 CD1 TYR A 38 39.513 -9.432 7.604 1.00 1.00 C ATOM 575 CD2 TYR A 38 40.003 -10.305 9.814 1.00 1.00 C ATOM 576 CE1 TYR A 38 39.793 -8.135 8.054 1.00 1.00 C ATOM 577 CE2 TYR A 38 40.285 -9.009 10.263 1.00 1.00 C ATOM 578 CZ TYR A 38 40.180 -7.924 9.384 1.00 1.00 C ATOM 579 OH TYR A 38 40.462 -6.648 9.829 1.00 1.00 O ATOM 0 H TYR A 38 38.955 -13.786 6.173 1.00 1.00 H new ATOM 0 HA TYR A 38 40.774 -11.461 6.467 1.00 1.00 H new ATOM 0 HB2 TYR A 38 38.299 -11.955 7.579 1.00 1.00 H new ATOM 0 HB3 TYR A 38 39.338 -12.622 8.823 1.00 1.00 H new ATOM 0 HD1 TYR A 38 39.216 -9.595 6.579 1.00 1.00 H new ATOM 0 HD2 TYR A 38 40.082 -11.141 10.493 1.00 1.00 H new ATOM 0 HE1 TYR A 38 39.711 -7.298 7.376 1.00 1.00 H new ATOM 0 HE2 TYR A 38 40.584 -8.846 11.288 1.00 1.00 H new ATOM 0 HH TYR A 38 40.713 -6.680 10.776 1.00 1.00 H new ATOM 589 N GLU A 39 41.861 -14.271 6.824 1.00 1.00 N ATOM 590 CA GLU A 39 42.943 -15.170 7.300 1.00 1.00 C ATOM 591 C GLU A 39 44.250 -15.028 6.489 1.00 1.00 C ATOM 592 O GLU A 39 45.308 -15.363 7.015 1.00 1.00 O ATOM 593 CB GLU A 39 42.495 -16.650 7.272 1.00 1.00 C ATOM 594 CG GLU A 39 41.573 -16.942 8.467 1.00 1.00 C ATOM 595 CD GLU A 39 40.710 -18.170 8.181 1.00 1.00 C ATOM 596 OE1 GLU A 39 41.147 -19.011 7.412 1.00 1.00 O ATOM 597 OE2 GLU A 39 39.626 -18.250 8.734 1.00 1.00 O ATOM 0 H GLU A 39 41.460 -14.541 5.926 1.00 1.00 H new ATOM 0 HA GLU A 39 43.147 -14.862 8.325 1.00 1.00 H new ATOM 0 HB2 GLU A 39 41.973 -16.863 6.339 1.00 1.00 H new ATOM 0 HB3 GLU A 39 43.367 -17.303 7.306 1.00 1.00 H new ATOM 0 HG2 GLU A 39 42.170 -17.109 9.364 1.00 1.00 H new ATOM 0 HG3 GLU A 39 40.937 -16.079 8.664 1.00 1.00 H new ATOM 604 N PRO A 40 44.216 -14.569 5.245 1.00 1.00 N ATOM 605 CA PRO A 40 45.453 -14.397 4.399 1.00 1.00 C ATOM 606 C PRO A 40 46.547 -13.519 5.030 1.00 1.00 C ATOM 607 O PRO A 40 47.233 -12.778 4.324 1.00 1.00 O ATOM 608 CB PRO A 40 44.924 -13.735 3.115 1.00 1.00 C ATOM 609 CG PRO A 40 43.493 -14.134 3.041 1.00 1.00 C ATOM 610 CD PRO A 40 43.009 -14.196 4.488 1.00 1.00 C ATOM 0 HA PRO A 40 45.944 -15.359 4.251 1.00 1.00 H new ATOM 0 HB2 PRO A 40 45.030 -12.651 3.157 1.00 1.00 H new ATOM 0 HB3 PRO A 40 45.475 -14.076 2.239 1.00 1.00 H new ATOM 0 HG2 PRO A 40 42.914 -13.412 2.465 1.00 1.00 H new ATOM 0 HG3 PRO A 40 43.380 -15.100 2.548 1.00 1.00 H new ATOM 0 HD2 PRO A 40 42.610 -13.237 4.818 1.00 1.00 H new ATOM 0 HD3 PRO A 40 42.215 -14.932 4.613 1.00 1.00 H new ATOM 618 N ILE A 41 46.709 -13.596 6.345 1.00 1.00 N ATOM 619 CA ILE A 41 47.725 -12.806 7.046 1.00 1.00 C ATOM 620 C ILE A 41 48.448 -13.670 8.086 1.00 1.00 C ATOM 621 O ILE A 41 48.921 -13.168 9.105 1.00 1.00 O ATOM 622 CB ILE A 41 47.052 -11.611 7.732 1.00 1.00 C ATOM 623 CG1 ILE A 41 45.982 -11.038 6.794 1.00 1.00 C ATOM 624 CG2 ILE A 41 48.090 -10.522 8.047 1.00 1.00 C ATOM 625 CD1 ILE A 41 45.387 -9.774 7.407 1.00 1.00 C ATOM 0 H ILE A 41 46.151 -14.197 6.952 1.00 1.00 H new ATOM 0 HA ILE A 41 48.460 -12.446 6.326 1.00 1.00 H new ATOM 0 HB ILE A 41 46.597 -11.942 8.665 1.00 1.00 H new ATOM 0 HG12 ILE A 41 46.420 -10.811 5.822 1.00 1.00 H new ATOM 0 HG13 ILE A 41 45.198 -11.777 6.626 1.00 1.00 H new ATOM 0 HG21 ILE A 41 47.598 -9.680 8.534 1.00 1.00 H new ATOM 0 HG22 ILE A 41 48.854 -10.928 8.710 1.00 1.00 H new ATOM 0 HG23 ILE A 41 48.555 -10.184 7.121 1.00 1.00 H new ATOM 0 HD11 ILE A 41 44.627 -9.369 6.739 1.00 1.00 H new ATOM 0 HD12 ILE A 41 44.934 -10.015 8.369 1.00 1.00 H new ATOM 0 HD13 ILE A 41 46.175 -9.034 7.552 1.00 1.00 H new ATOM 637 N ARG A 42 48.530 -14.977 7.828 1.00 1.00 N ATOM 638 CA ARG A 42 49.202 -15.893 8.759 1.00 1.00 C ATOM 639 C ARG A 42 50.690 -15.975 8.463 1.00 1.00 C ATOM 640 O ARG A 42 51.527 -15.589 9.279 1.00 1.00 O ATOM 641 CB ARG A 42 48.586 -17.297 8.673 1.00 1.00 C ATOM 642 CG ARG A 42 49.109 -18.168 9.829 1.00 1.00 C ATOM 643 CD ARG A 42 48.551 -17.676 11.180 1.00 1.00 C ATOM 644 NE ARG A 42 49.464 -16.708 11.776 1.00 1.00 N ATOM 645 CZ ARG A 42 49.147 -16.062 12.892 1.00 1.00 C ATOM 646 NH1 ARG A 42 48.000 -16.286 13.473 1.00 1.00 N ATOM 647 NH2 ARG A 42 49.982 -15.199 13.403 1.00 1.00 N ATOM 0 H ARG A 42 48.146 -15.423 6.995 1.00 1.00 H new ATOM 0 HA ARG A 42 49.065 -15.500 9.767 1.00 1.00 H new ATOM 0 HB2 ARG A 42 47.499 -17.230 8.719 1.00 1.00 H new ATOM 0 HB3 ARG A 42 48.837 -17.756 7.717 1.00 1.00 H new ATOM 0 HG2 ARG A 42 48.820 -19.207 9.667 1.00 1.00 H new ATOM 0 HG3 ARG A 42 50.198 -18.139 9.848 1.00 1.00 H new ATOM 0 HD2 ARG A 42 47.571 -17.221 11.034 1.00 1.00 H new ATOM 0 HD3 ARG A 42 48.413 -18.521 11.855 1.00 1.00 H new ATOM 0 HE ARG A 42 50.362 -16.524 11.328 1.00 1.00 H new ATOM 0 HH11 ARG A 42 47.347 -16.958 13.070 1.00 1.00 H new ATOM 0 HH12 ARG A 42 47.757 -15.790 14.330 1.00 1.00 H new ATOM 0 HH21 ARG A 42 50.876 -15.022 12.945 1.00 1.00 H new ATOM 0 HH22 ARG A 42 49.740 -14.702 14.260 1.00 1.00 H new ATOM 661 N LYS A 43 50.998 -16.490 7.288 1.00 1.00 N ATOM 662 CA LYS A 43 52.392 -16.654 6.841 1.00 1.00 C ATOM 663 C LYS A 43 53.312 -17.026 8.001 1.00 1.00 C ATOM 664 O LYS A 43 54.511 -16.743 7.973 1.00 1.00 O ATOM 665 CB LYS A 43 52.900 -15.371 6.179 1.00 1.00 C ATOM 666 CG LYS A 43 52.777 -14.182 7.140 1.00 1.00 C ATOM 667 CD LYS A 43 53.536 -12.979 6.569 1.00 1.00 C ATOM 668 CE LYS A 43 52.838 -12.469 5.303 1.00 1.00 C ATOM 669 NZ LYS A 43 53.330 -11.100 4.980 1.00 1.00 N ATOM 0 H LYS A 43 50.304 -16.808 6.612 1.00 1.00 H new ATOM 0 HA LYS A 43 52.406 -17.467 6.115 1.00 1.00 H new ATOM 0 HB2 LYS A 43 53.940 -15.497 5.880 1.00 1.00 H new ATOM 0 HB3 LYS A 43 52.329 -15.173 5.272 1.00 1.00 H new ATOM 0 HG2 LYS A 43 51.727 -13.927 7.286 1.00 1.00 H new ATOM 0 HG3 LYS A 43 53.179 -14.448 8.117 1.00 1.00 H new ATOM 0 HD2 LYS A 43 53.585 -12.183 7.313 1.00 1.00 H new ATOM 0 HD3 LYS A 43 54.563 -13.263 6.338 1.00 1.00 H new ATOM 0 HE2 LYS A 43 53.035 -13.144 4.470 1.00 1.00 H new ATOM 0 HE3 LYS A 43 51.758 -12.453 5.452 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 52.856 -10.754 4.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 53.120 -10.460 5.772 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 54.357 -11.129 4.821 1.00 1.00 H new ATOM 683 N GLY A 44 52.743 -17.659 9.013 1.00 1.00 N ATOM 684 CA GLY A 44 53.519 -18.067 10.184 1.00 1.00 C ATOM 685 C GLY A 44 53.893 -16.854 11.020 1.00 1.00 C ATOM 686 O GLY A 44 53.200 -16.514 11.980 1.00 1.00 O ATOM 0 H GLY A 44 51.753 -17.903 9.053 1.00 1.00 H new ATOM 0 HA2 GLY A 44 52.940 -18.767 10.786 1.00 1.00 H new ATOM 0 HA3 GLY A 44 54.421 -18.590 9.866 1.00 1.00 H new ATOM 690 N GLN A 45 54.988 -16.200 10.640 1.00 1.00 N ATOM 691 CA GLN A 45 55.458 -15.004 11.356 1.00 1.00 C ATOM 692 C GLN A 45 55.231 -15.153 12.852 1.00 1.00 C ATOM 693 O GLN A 45 54.348 -14.520 13.432 1.00 1.00 O ATOM 694 CB GLN A 45 54.712 -13.777 10.847 1.00 1.00 C ATOM 695 CG GLN A 45 55.362 -12.506 11.392 1.00 1.00 C ATOM 696 CD GLN A 45 54.633 -11.283 10.848 1.00 1.00 C ATOM 697 OE1 GLN A 45 53.402 -11.405 10.433 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 55.198 -10.191 10.797 1.00 1.00 N flip ATOM 0 H GLN A 45 55.568 -16.471 9.846 1.00 1.00 H new ATOM 0 HA GLN A 45 56.526 -14.886 11.174 1.00 1.00 H new ATOM 0 HB2 GLN A 45 54.722 -13.762 9.757 1.00 1.00 H new ATOM 0 HB3 GLN A 45 53.668 -13.822 11.156 1.00 1.00 H new ATOM 0 HG2 GLN A 45 55.328 -12.507 12.481 1.00 1.00 H new ATOM 0 HG3 GLN A 45 56.413 -12.472 11.106 1.00 1.00 H new ATOM 0 HE21 GLN A 45 56.160 -10.099 11.122 1.00 1.00 H new ATOM 0 HE22 GLN A 45 54.704 -9.378 10.430 1.00 1.00 H new ATOM 707 N ARG A 46 56.032 -16.007 13.460 1.00 1.00 N ATOM 708 CA ARG A 46 55.926 -16.266 14.889 1.00 1.00 C ATOM 709 C ARG A 46 57.239 -16.837 15.420 1.00 1.00 C ATOM 710 O ARG A 46 57.486 -16.833 16.627 1.00 1.00 O ATOM 711 CB ARG A 46 54.775 -17.251 15.153 1.00 1.00 C ATOM 712 CG ARG A 46 54.334 -17.190 16.628 1.00 1.00 C ATOM 713 CD ARG A 46 53.349 -16.033 16.852 1.00 1.00 C ATOM 714 NE ARG A 46 52.785 -16.110 18.199 1.00 1.00 N ATOM 715 CZ ARG A 46 51.673 -16.800 18.448 1.00 1.00 C ATOM 716 NH1 ARG A 46 51.066 -17.436 17.482 1.00 1.00 N ATOM 717 NH2 ARG A 46 51.191 -16.846 19.661 1.00 1.00 N ATOM 0 H ARG A 46 56.766 -16.536 12.988 1.00 1.00 H new ATOM 0 HA ARG A 46 55.720 -15.329 15.406 1.00 1.00 H new ATOM 0 HB2 ARG A 46 53.931 -17.014 14.506 1.00 1.00 H new ATOM 0 HB3 ARG A 46 55.092 -18.264 14.905 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.866 -18.133 16.912 1.00 1.00 H new ATOM 0 HG3 ARG A 46 55.206 -17.061 17.269 1.00 1.00 H new ATOM 0 HD2 ARG A 46 53.859 -15.079 16.716 1.00 1.00 H new ATOM 0 HD3 ARG A 46 52.550 -16.076 16.111 1.00 1.00 H new ATOM 0 HE ARG A 46 53.253 -15.625 18.964 1.00 1.00 H new ATOM 0 HH11 ARG A 46 51.443 -17.405 16.535 1.00 1.00 H new ATOM 0 HH12 ARG A 46 50.215 -17.964 17.675 1.00 1.00 H new ATOM 0 HH21 ARG A 46 51.666 -16.354 20.418 1.00 1.00 H new ATOM 0 HH22 ARG A 46 50.340 -17.374 19.852 1.00 1.00 H new ATOM 731 N ASP A 47 58.080 -17.323 14.510 1.00 1.00 N ATOM 732 CA ASP A 47 59.366 -17.890 14.900 1.00 1.00 C ATOM 733 C ASP A 47 60.353 -16.789 15.248 1.00 1.00 C ATOM 734 O ASP A 47 61.358 -17.030 15.917 1.00 1.00 O ATOM 735 CB ASP A 47 59.936 -18.769 13.781 1.00 1.00 C ATOM 736 CG ASP A 47 60.310 -17.914 12.575 1.00 1.00 C ATOM 737 OD1 ASP A 47 60.027 -16.728 12.603 1.00 1.00 O ATOM 738 OD2 ASP A 47 60.874 -18.459 11.640 1.00 1.00 O ATOM 0 H ASP A 47 57.896 -17.335 13.507 1.00 1.00 H new ATOM 0 HA ASP A 47 59.205 -18.510 15.782 1.00 1.00 H new ATOM 0 HB2 ASP A 47 60.814 -19.305 14.142 1.00 1.00 H new ATOM 0 HB3 ASP A 47 59.202 -19.520 13.489 1.00 1.00 H new ATOM 743 N LEU A 48 60.062 -15.577 14.793 1.00 1.00 N ATOM 744 CA LEU A 48 60.937 -14.448 15.071 1.00 1.00 C ATOM 745 C LEU A 48 60.987 -14.177 16.577 1.00 1.00 C ATOM 746 O LEU A 48 62.026 -13.789 17.111 1.00 1.00 O ATOM 747 CB LEU A 48 60.470 -13.201 14.297 1.00 1.00 C ATOM 748 CG LEU A 48 61.364 -11.993 14.623 1.00 1.00 C ATOM 749 CD1 LEU A 48 62.836 -12.316 14.316 1.00 1.00 C ATOM 750 CD2 LEU A 48 60.914 -10.798 13.773 1.00 1.00 C ATOM 0 H LEU A 48 59.237 -15.353 14.237 1.00 1.00 H new ATOM 0 HA LEU A 48 61.945 -14.692 14.736 1.00 1.00 H new ATOM 0 HB2 LEU A 48 60.496 -13.401 13.226 1.00 1.00 H new ATOM 0 HB3 LEU A 48 59.435 -12.974 14.554 1.00 1.00 H new ATOM 0 HG LEU A 48 61.274 -11.755 15.683 1.00 1.00 H new ATOM 0 HD11 LEU A 48 63.455 -11.451 14.552 1.00 1.00 H new ATOM 0 HD12 LEU A 48 63.155 -13.166 14.919 1.00 1.00 H new ATOM 0 HD13 LEU A 48 62.942 -12.560 13.259 1.00 1.00 H new ATOM 0 HD21 LEU A 48 61.542 -9.935 13.997 1.00 1.00 H new ATOM 0 HD22 LEU A 48 61.005 -11.049 12.716 1.00 1.00 H new ATOM 0 HD23 LEU A 48 59.875 -10.560 14.002 1.00 1.00 H new ATOM 762 N TYR A 49 59.857 -14.381 17.258 1.00 1.00 N ATOM 763 CA TYR A 49 59.793 -14.149 18.701 1.00 1.00 C ATOM 764 C TYR A 49 60.693 -15.126 19.462 1.00 1.00 C ATOM 765 O TYR A 49 61.403 -14.726 20.383 1.00 1.00 O ATOM 766 CB TYR A 49 58.343 -14.270 19.206 1.00 1.00 C ATOM 767 CG TYR A 49 57.479 -13.226 18.532 1.00 1.00 C ATOM 768 CD1 TYR A 49 57.043 -13.432 17.220 1.00 1.00 C ATOM 769 CD2 TYR A 49 57.106 -12.063 19.218 1.00 1.00 C ATOM 770 CE1 TYR A 49 56.238 -12.476 16.589 1.00 1.00 C ATOM 771 CE2 TYR A 49 56.301 -11.106 18.588 1.00 1.00 C ATOM 772 CZ TYR A 49 55.867 -11.314 17.272 1.00 1.00 C ATOM 773 OH TYR A 49 55.072 -10.372 16.651 1.00 1.00 O ATOM 0 H TYR A 49 58.984 -14.702 16.839 1.00 1.00 H new ATOM 0 HA TYR A 49 60.151 -13.137 18.888 1.00 1.00 H new ATOM 0 HB2 TYR A 49 57.956 -15.267 18.995 1.00 1.00 H new ATOM 0 HB3 TYR A 49 58.312 -14.138 20.288 1.00 1.00 H new ATOM 0 HD1 TYR A 49 57.328 -14.330 16.692 1.00 1.00 H new ATOM 0 HD2 TYR A 49 57.439 -11.904 20.233 1.00 1.00 H new ATOM 0 HE1 TYR A 49 55.904 -12.636 15.575 1.00 1.00 H new ATOM 0 HE2 TYR A 49 56.015 -10.208 19.116 1.00 1.00 H new ATOM 0 HH TYR A 49 54.907 -9.627 17.266 1.00 1.00 H new ATOM 783 N SER A 50 60.667 -16.404 19.081 1.00 1.00 N ATOM 784 CA SER A 50 61.495 -17.398 19.755 1.00 1.00 C ATOM 785 C SER A 50 62.968 -17.130 19.483 1.00 1.00 C ATOM 786 O SER A 50 63.807 -17.226 20.377 1.00 1.00 O ATOM 787 CB SER A 50 61.135 -18.804 19.277 1.00 1.00 C ATOM 788 OG SER A 50 59.737 -19.008 19.421 1.00 1.00 O ATOM 0 H SER A 50 60.091 -16.768 18.322 1.00 1.00 H new ATOM 0 HA SER A 50 61.310 -17.328 20.827 1.00 1.00 H new ATOM 0 HB2 SER A 50 61.427 -18.931 18.235 1.00 1.00 H new ATOM 0 HB3 SER A 50 61.684 -19.548 19.855 1.00 1.00 H new ATOM 0 HG SER A 50 59.504 -19.909 19.113 1.00 1.00 H new ATOM 794 N GLY A 51 63.267 -16.797 18.235 1.00 1.00 N ATOM 795 CA GLY A 51 64.650 -16.515 17.834 1.00 1.00 C ATOM 796 C GLY A 51 65.197 -15.300 18.580 1.00 1.00 C ATOM 797 O GLY A 51 66.348 -14.909 18.389 1.00 1.00 O ATOM 0 H GLY A 51 62.582 -16.714 17.484 1.00 1.00 H new ATOM 0 HA2 GLY A 51 65.276 -17.384 18.037 1.00 1.00 H new ATOM 0 HA3 GLY A 51 64.692 -16.336 16.760 1.00 1.00 H new ATOM 801 N LEU A 52 64.363 -14.705 19.426 1.00 1.00 N ATOM 802 CA LEU A 52 64.781 -13.527 20.190 1.00 1.00 C ATOM 803 C LEU A 52 65.783 -13.903 21.275 1.00 1.00 C ATOM 804 O LEU A 52 66.508 -13.049 21.781 1.00 1.00 O ATOM 805 CB LEU A 52 63.568 -12.811 20.815 1.00 1.00 C ATOM 806 CG LEU A 52 64.033 -11.529 21.568 1.00 1.00 C ATOM 807 CD1 LEU A 52 63.035 -10.388 21.337 1.00 1.00 C ATOM 808 CD2 LEU A 52 64.125 -11.800 23.081 1.00 1.00 C ATOM 0 H LEU A 52 63.406 -15.011 19.601 1.00 1.00 H new ATOM 0 HA LEU A 52 65.266 -12.842 19.494 1.00 1.00 H new ATOM 0 HB2 LEU A 52 62.852 -12.546 20.037 1.00 1.00 H new ATOM 0 HB3 LEU A 52 63.056 -13.482 21.505 1.00 1.00 H new ATOM 0 HG LEU A 52 65.014 -11.248 21.184 1.00 1.00 H new ATOM 0 HD11 LEU A 52 63.371 -9.498 21.868 1.00 1.00 H new ATOM 0 HD12 LEU A 52 62.970 -10.171 20.271 1.00 1.00 H new ATOM 0 HD13 LEU A 52 62.053 -10.683 21.708 1.00 1.00 H new ATOM 0 HD21 LEU A 52 64.451 -10.895 23.594 1.00 1.00 H new ATOM 0 HD22 LEU A 52 63.146 -12.098 23.457 1.00 1.00 H new ATOM 0 HD23 LEU A 52 64.843 -12.600 23.264 1.00 1.00 H new ATOM 820 N ASN A 53 65.811 -15.180 21.635 1.00 1.00 N ATOM 821 CA ASN A 53 66.734 -15.660 22.675 1.00 1.00 C ATOM 822 C ASN A 53 68.087 -14.963 22.579 1.00 1.00 C ATOM 823 O ASN A 53 68.776 -14.797 23.585 1.00 1.00 O ATOM 824 CB ASN A 53 66.935 -17.181 22.569 1.00 1.00 C ATOM 825 CG ASN A 53 67.299 -17.553 21.136 1.00 1.00 C ATOM 826 OD1 ASN A 53 68.479 -17.674 20.805 1.00 1.00 O ATOM 827 ND2 ASN A 53 66.351 -17.736 20.259 1.00 1.00 N ATOM 0 H ASN A 53 65.214 -15.902 21.231 1.00 1.00 H new ATOM 0 HA ASN A 53 66.285 -15.423 23.640 1.00 1.00 H new ATOM 0 HB2 ASN A 53 67.724 -17.502 23.250 1.00 1.00 H new ATOM 0 HB3 ASN A 53 66.025 -17.700 22.869 1.00 1.00 H new ATOM 0 HD21 ASN A 53 66.586 -17.980 19.297 1.00 1.00 H new ATOM 0 HD22 ASN A 53 65.374 -17.635 20.535 1.00 1.00 H new ATOM 834 N GLN A 54 68.467 -14.560 21.371 1.00 1.00 N ATOM 835 CA GLN A 54 69.752 -13.887 21.173 1.00 1.00 C ATOM 836 C GLN A 54 70.889 -14.683 21.813 1.00 1.00 C ATOM 837 O GLN A 54 72.035 -14.236 21.799 1.00 1.00 O ATOM 838 CB GLN A 54 69.704 -12.466 21.764 1.00 1.00 C ATOM 839 CG GLN A 54 69.044 -11.506 20.765 1.00 1.00 C ATOM 840 CD GLN A 54 68.939 -10.109 21.367 1.00 1.00 C ATOM 841 OE1 GLN A 54 69.143 -9.942 22.644 1.00 1.00 O flip ATOM 842 NE2 GLN A 54 68.666 -9.144 20.653 1.00 1.00 N flip ATOM 0 H GLN A 54 67.914 -14.684 20.523 1.00 1.00 H new ATOM 0 HA GLN A 54 69.941 -13.821 20.101 1.00 1.00 H new ATOM 0 HB2 GLN A 54 69.146 -12.471 22.700 1.00 1.00 H new ATOM 0 HB3 GLN A 54 70.713 -12.125 21.997 1.00 1.00 H new ATOM 0 HG2 GLN A 54 69.627 -11.470 19.845 1.00 1.00 H new ATOM 0 HG3 GLN A 54 68.052 -11.871 20.500 1.00 1.00 H new ATOM 0 HE21 GLN A 54 68.507 -9.277 19.654 1.00 1.00 H new ATOM 0 HE22 GLN A 54 68.599 -8.211 21.060 1.00 1.00 H new ATOM 851 N ARG A 55 70.571 -15.864 22.360 1.00 1.00 N ATOM 852 CA ARG A 55 71.591 -16.719 22.987 1.00 1.00 C ATOM 853 C ARG A 55 72.670 -15.879 23.677 1.00 1.00 C ATOM 854 O ARG A 55 73.803 -15.791 23.202 1.00 1.00 O ATOM 855 CB ARG A 55 72.227 -17.655 21.927 1.00 1.00 C ATOM 856 CG ARG A 55 72.138 -17.018 20.533 1.00 1.00 C ATOM 857 CD ARG A 55 72.773 -17.950 19.498 1.00 1.00 C ATOM 858 NE ARG A 55 72.445 -17.498 18.150 1.00 1.00 N ATOM 859 CZ ARG A 55 73.043 -16.446 17.601 1.00 1.00 C ATOM 860 NH1 ARG A 55 73.961 -15.794 18.260 1.00 1.00 N ATOM 861 NH2 ARG A 55 72.707 -16.064 16.400 1.00 1.00 N ATOM 0 H ARG A 55 69.626 -16.247 22.382 1.00 1.00 H new ATOM 0 HA ARG A 55 71.104 -17.327 23.749 1.00 1.00 H new ATOM 0 HB2 ARG A 55 73.269 -17.848 22.181 1.00 1.00 H new ATOM 0 HB3 ARG A 55 71.716 -18.618 21.928 1.00 1.00 H new ATOM 0 HG2 ARG A 55 71.096 -16.829 20.275 1.00 1.00 H new ATOM 0 HG3 ARG A 55 72.647 -16.054 20.530 1.00 1.00 H new ATOM 0 HD2 ARG A 55 73.855 -17.970 19.630 1.00 1.00 H new ATOM 0 HD3 ARG A 55 72.415 -18.969 19.646 1.00 1.00 H new ATOM 0 HE ARG A 55 71.738 -18.003 17.615 1.00 1.00 H new ATOM 0 HH11 ARG A 55 74.222 -16.091 19.200 1.00 1.00 H new ATOM 0 HH12 ARG A 55 74.418 -14.987 17.835 1.00 1.00 H new ATOM 0 HH21 ARG A 55 71.988 -16.572 15.886 1.00 1.00 H new ATOM 0 HH22 ARG A 55 73.164 -15.257 15.975 1.00 1.00 H new ATOM 875 N ALA A 56 72.305 -15.265 24.800 1.00 1.00 N ATOM 876 CA ALA A 56 73.246 -14.429 25.553 1.00 1.00 C ATOM 877 C ALA A 56 74.117 -13.603 24.609 1.00 1.00 C ATOM 878 O ALA A 56 75.318 -13.844 24.485 1.00 1.00 O ATOM 879 CB ALA A 56 74.136 -15.312 26.429 1.00 1.00 C ATOM 0 H ALA A 56 71.373 -15.327 25.209 1.00 1.00 H new ATOM 0 HA ALA A 56 72.672 -13.748 26.181 1.00 1.00 H new ATOM 0 HB1 ALA A 56 74.833 -14.686 26.986 1.00 1.00 H new ATOM 0 HB2 ALA A 56 73.516 -15.875 27.127 1.00 1.00 H new ATOM 0 HB3 ALA A 56 74.694 -16.005 25.799 1.00 1.00 H new ATOM 885 N VAL A 57 73.499 -12.631 23.945 1.00 1.00 N ATOM 886 CA VAL A 57 74.220 -11.767 23.003 1.00 1.00 C ATOM 887 C VAL A 57 75.607 -11.417 23.549 1.00 1.00 C ATOM 888 O VAL A 57 76.480 -11.124 22.748 1.00 1.00 O ATOM 889 CB VAL A 57 73.425 -10.475 22.741 1.00 1.00 C ATOM 890 CG1 VAL A 57 73.023 -9.838 24.071 1.00 1.00 C ATOM 891 CG2 VAL A 57 74.287 -9.488 21.943 1.00 1.00 C ATOM 892 OXT VAL A 57 75.772 -11.447 24.756 1.00 1.00 O ATOM 0 H VAL A 57 72.506 -12.419 24.038 1.00 1.00 H new ATOM 0 HA VAL A 57 74.335 -12.310 22.065 1.00 1.00 H new ATOM 0 HB VAL A 57 72.529 -10.718 22.169 1.00 1.00 H new ATOM 0 HG11 VAL A 57 72.461 -8.924 23.881 1.00 1.00 H new ATOM 0 HG12 VAL A 57 72.403 -10.535 24.636 1.00 1.00 H new ATOM 0 HG13 VAL A 57 73.918 -9.601 24.646 1.00 1.00 H new ATOM 0 HG21 VAL A 57 73.720 -8.575 21.760 1.00 1.00 H new ATOM 0 HG22 VAL A 57 75.186 -9.249 22.511 1.00 1.00 H new ATOM 0 HG23 VAL A 57 74.568 -9.938 20.991 1.00 1.00 H new TER 902 VAL A 57