USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 774 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 32 TYR OH : rot 78:sc= -0.0208 USER MOD Set 1.2: A 71 ASN : amide:sc= -2.16! C(o=-2.2!,f=-5!) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.19 USER MOD Set 2.2: A 24 SER OG : rot 70:sc= 0.13 USER MOD Set 2.3: A 55 GLN : amide:sc= -5.76! C(o=-5.8!,f=-7.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 20 CYS SG : rot 33:sc= 0.00152 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.904 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -37:sc= 1.2 USER MOD Single : A 30 GLN : amide:sc= -6.54! C(o=-6.5!,f=-13!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 110:sc= -0.865 USER MOD Single : A 35 SER OG : rot -94:sc= -3.57! USER MOD Single : A 36 ASN : amide:sc= -2.1 K(o=-2.1,f=-2.9!) USER MOD Single : A 42 MET CE :methyl 163:sc=-0.000449 (180deg=-0.402) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 63 THR OG1 : rot 60:sc= 0.0874 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 68:sc= 0.536 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.568 F(o=-1.8!,f=-0.57) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -42:sc= 1.24 USER MOD Single : A 95 MET CE :methyl 169:sc= 0 (180deg=-0.142) USER MOD Single : A 96 SER OG : rot 180:sc= -0.213 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.519 0.780 -2.291 1.00 43.20 N ATOM 2 CA PRO A 1 3.131 0.110 -1.047 1.00 34.42 C ATOM 3 C PRO A 1 2.697 -1.334 -1.277 1.00 65.23 C ATOM 4 O PRO A 1 1.952 -1.904 -0.479 1.00 62.55 O ATOM 5 CB PRO A 1 1.952 0.948 -0.545 1.00 61.22 C ATOM 6 CG PRO A 1 1.386 1.578 -1.771 1.00 25.20 C ATOM 7 CD PRO A 1 2.553 1.817 -2.689 1.00 52.44 C ATOM 0 H2 PRO A 1 3.600 0.089 -3.037 1.00 43.20 H new ATOM 0 H3 PRO A 1 4.440 1.202 -2.175 1.00 43.20 H new ATOM 0 HA PRO A 1 3.960 0.049 -0.342 1.00 34.42 H new ATOM 0 HB2 PRO A 1 1.211 0.327 -0.041 1.00 61.22 H new ATOM 0 HB3 PRO A 1 2.278 1.701 0.172 1.00 61.22 H new ATOM 0 HG2 PRO A 1 0.648 0.927 -2.239 1.00 25.20 H new ATOM 0 HG3 PRO A 1 0.880 2.513 -1.531 1.00 25.20 H new ATOM 0 HD2 PRO A 1 2.267 1.719 -3.736 1.00 52.44 H new ATOM 0 HD3 PRO A 1 2.964 2.819 -2.563 1.00 52.44 H new ATOM 15 N LEU A 2 3.169 -1.921 -2.372 1.00 53.42 N ATOM 16 CA LEU A 2 2.830 -3.299 -2.708 1.00 23.44 C ATOM 17 C LEU A 2 3.554 -3.745 -3.974 1.00 61.02 C ATOM 18 O LEU A 2 3.005 -3.675 -5.074 1.00 74.31 O ATOM 19 CB LEU A 2 1.319 -3.444 -2.893 1.00 12.23 C ATOM 20 CG LEU A 2 0.562 -4.107 -1.741 1.00 51.04 C ATOM 21 CD1 LEU A 2 -0.755 -3.391 -1.486 1.00 12.11 C ATOM 22 CD2 LEU A 2 0.321 -5.580 -2.040 1.00 3.34 C ATOM 0 H LEU A 2 3.788 -1.464 -3.042 1.00 53.42 H new ATOM 0 HA LEU A 2 3.151 -3.936 -1.884 1.00 23.44 H new ATOM 0 HB2 LEU A 2 0.896 -2.453 -3.056 1.00 12.23 H new ATOM 0 HB3 LEU A 2 1.138 -4.021 -3.800 1.00 12.23 H new ATOM 0 HG LEU A 2 1.172 -4.034 -0.841 1.00 51.04 H new ATOM 0 HD11 LEU A 2 -1.280 -3.877 -0.663 1.00 12.11 H new ATOM 0 HD12 LEU A 2 -0.559 -2.350 -1.228 1.00 12.11 H new ATOM 0 HD13 LEU A 2 -1.371 -3.432 -2.384 1.00 12.11 H new ATOM 0 HD21 LEU A 2 -0.219 -6.036 -1.210 1.00 3.34 H new ATOM 0 HD22 LEU A 2 -0.269 -5.674 -2.952 1.00 3.34 H new ATOM 0 HD23 LEU A 2 1.278 -6.086 -2.172 1.00 3.34 H new ATOM 34 N THR A 3 4.791 -4.206 -3.812 1.00 53.31 N ATOM 35 CA THR A 3 5.590 -4.664 -4.942 1.00 33.05 C ATOM 36 C THR A 3 6.193 -6.037 -4.667 1.00 75.03 C ATOM 37 O THR A 3 6.176 -6.517 -3.534 1.00 21.40 O ATOM 38 CB THR A 3 6.724 -3.673 -5.266 1.00 73.52 C ATOM 39 OG1 THR A 3 7.297 -3.986 -6.541 1.00 1.24 O ATOM 40 CG2 THR A 3 7.803 -3.716 -4.195 1.00 32.32 C ATOM 0 H THR A 3 5.261 -4.272 -2.909 1.00 53.31 H new ATOM 0 HA THR A 3 4.919 -4.729 -5.799 1.00 33.05 H new ATOM 0 HB THR A 3 6.303 -2.668 -5.294 1.00 73.52 H new ATOM 0 HG1 THR A 3 8.016 -3.351 -6.741 1.00 1.24 H new ATOM 0 HG21 THR A 3 8.593 -3.008 -4.446 1.00 32.32 H new ATOM 0 HG22 THR A 3 7.370 -3.450 -3.231 1.00 32.32 H new ATOM 0 HG23 THR A 3 8.221 -4.721 -4.140 1.00 32.32 H new ATOM 48 N ARG A 4 6.725 -6.664 -5.711 1.00 52.35 N ATOM 49 CA ARG A 4 7.333 -7.982 -5.582 1.00 72.55 C ATOM 50 C ARG A 4 8.279 -8.261 -6.746 1.00 44.14 C ATOM 51 O ARG A 4 8.042 -9.140 -7.575 1.00 50.22 O ATOM 52 CB ARG A 4 6.251 -9.062 -5.521 1.00 61.53 C ATOM 53 CG ARG A 4 5.230 -8.966 -6.643 1.00 14.43 C ATOM 54 CD ARG A 4 4.800 -10.342 -7.125 1.00 71.12 C ATOM 55 NE ARG A 4 3.407 -10.358 -7.564 1.00 61.12 N ATOM 56 CZ ARG A 4 2.374 -10.365 -6.730 1.00 34.22 C ATOM 57 NH1 ARG A 4 2.575 -10.357 -5.419 1.00 62.34 N ATOM 58 NH2 ARG A 4 1.135 -10.380 -7.206 1.00 0.42 N ATOM 0 H ARG A 4 6.747 -6.280 -6.656 1.00 52.35 H new ATOM 0 HA ARG A 4 7.908 -8.000 -4.656 1.00 72.55 H new ATOM 0 HB2 ARG A 4 6.726 -10.042 -5.556 1.00 61.53 H new ATOM 0 HB3 ARG A 4 5.734 -8.993 -4.564 1.00 61.53 H new ATOM 0 HG2 ARG A 4 4.358 -8.412 -6.296 1.00 14.43 H new ATOM 0 HG3 ARG A 4 5.654 -8.404 -7.475 1.00 14.43 H new ATOM 0 HD2 ARG A 4 5.443 -10.655 -7.948 1.00 71.12 H new ATOM 0 HD3 ARG A 4 4.935 -11.066 -6.322 1.00 71.12 H new ATOM 0 HE ARG A 4 3.217 -10.364 -8.566 1.00 61.12 H new ATOM 0 HH11 ARG A 4 3.525 -10.345 -5.049 1.00 62.34 H new ATOM 0 HH12 ARG A 4 1.779 -10.362 -4.781 1.00 62.34 H new ATOM 0 HH21 ARG A 4 0.976 -10.386 -8.213 1.00 0.42 H new ATOM 0 HH22 ARG A 4 0.342 -10.385 -6.564 1.00 0.42 H new ATOM 72 N PRO A 5 9.378 -7.495 -6.812 1.00 5.30 N ATOM 73 CA PRO A 5 10.383 -7.640 -7.870 1.00 32.12 C ATOM 74 C PRO A 5 11.175 -8.937 -7.743 1.00 2.33 C ATOM 75 O PRO A 5 10.831 -9.810 -6.946 1.00 72.44 O ATOM 76 CB PRO A 5 11.298 -6.431 -7.659 1.00 31.34 C ATOM 77 CG PRO A 5 11.146 -6.088 -6.217 1.00 33.31 C ATOM 78 CD PRO A 5 9.726 -6.428 -5.858 1.00 55.01 C ATOM 0 HA PRO A 5 9.929 -7.680 -8.860 1.00 32.12 H new ATOM 0 HB2 PRO A 5 12.333 -6.671 -7.902 1.00 31.34 H new ATOM 0 HB3 PRO A 5 11.006 -5.597 -8.297 1.00 31.34 H new ATOM 0 HG2 PRO A 5 11.849 -6.653 -5.605 1.00 33.31 H new ATOM 0 HG3 PRO A 5 11.350 -5.031 -6.044 1.00 33.31 H new ATOM 0 HD2 PRO A 5 9.643 -6.769 -4.826 1.00 55.01 H new ATOM 0 HD3 PRO A 5 9.068 -5.565 -5.962 1.00 55.01 H new ATOM 86 N TYR A 6 12.237 -9.055 -8.531 1.00 64.03 N ATOM 87 CA TYR A 6 13.078 -10.246 -8.508 1.00 73.41 C ATOM 88 C TYR A 6 14.447 -9.936 -7.911 1.00 51.21 C ATOM 89 O TYR A 6 15.046 -8.901 -8.207 1.00 22.04 O ATOM 90 CB TYR A 6 13.241 -10.809 -9.921 1.00 52.32 C ATOM 91 CG TYR A 6 14.066 -9.928 -10.832 1.00 21.02 C ATOM 92 CD1 TYR A 6 13.490 -8.858 -11.506 1.00 22.34 C ATOM 93 CD2 TYR A 6 15.423 -10.165 -11.018 1.00 34.45 C ATOM 94 CE1 TYR A 6 14.240 -8.052 -12.339 1.00 44.32 C ATOM 95 CE2 TYR A 6 16.181 -9.363 -11.848 1.00 60.00 C ATOM 96 CZ TYR A 6 15.585 -8.308 -12.507 1.00 3.11 C ATOM 97 OH TYR A 6 16.336 -7.506 -13.335 1.00 44.23 O ATOM 0 H TYR A 6 12.536 -8.340 -9.194 1.00 64.03 H new ATOM 0 HA TYR A 6 12.589 -10.992 -7.881 1.00 73.41 H new ATOM 0 HB2 TYR A 6 13.708 -11.792 -9.860 1.00 52.32 H new ATOM 0 HB3 TYR A 6 12.255 -10.951 -10.362 1.00 52.32 H new ATOM 0 HD1 TYR A 6 12.438 -8.653 -11.376 1.00 22.34 H new ATOM 0 HD2 TYR A 6 15.893 -10.991 -10.504 1.00 34.45 H new ATOM 0 HE1 TYR A 6 13.776 -7.225 -12.856 1.00 44.32 H new ATOM 0 HE2 TYR A 6 17.234 -9.561 -11.980 1.00 60.00 H new ATOM 0 HH TYR A 6 17.264 -7.821 -13.342 1.00 44.23 H new ATOM 107 N LEU A 7 14.937 -10.839 -7.070 1.00 33.54 N ATOM 108 CA LEU A 7 16.236 -10.664 -6.430 1.00 61.30 C ATOM 109 C LEU A 7 17.332 -11.370 -7.222 1.00 44.42 C ATOM 110 O LEU A 7 17.124 -12.457 -7.757 1.00 73.53 O ATOM 111 CB LEU A 7 16.199 -11.203 -4.999 1.00 13.43 C ATOM 112 CG LEU A 7 14.880 -11.020 -4.247 1.00 74.12 C ATOM 113 CD1 LEU A 7 14.037 -12.283 -4.333 1.00 23.41 C ATOM 114 CD2 LEU A 7 15.140 -10.648 -2.795 1.00 22.12 C ATOM 0 H LEU A 7 14.454 -11.701 -6.815 1.00 33.54 H new ATOM 0 HA LEU A 7 16.460 -9.598 -6.404 1.00 61.30 H new ATOM 0 HB2 LEU A 7 16.434 -12.267 -5.027 1.00 13.43 H new ATOM 0 HB3 LEU A 7 16.990 -10.717 -4.428 1.00 13.43 H new ATOM 0 HG LEU A 7 14.327 -10.206 -4.716 1.00 74.12 H new ATOM 0 HD11 LEU A 7 13.102 -12.134 -3.792 1.00 23.41 H new ATOM 0 HD12 LEU A 7 13.820 -12.505 -5.378 1.00 23.41 H new ATOM 0 HD13 LEU A 7 14.583 -13.116 -3.891 1.00 23.41 H new ATOM 0 HD21 LEU A 7 14.190 -10.522 -2.276 1.00 22.12 H new ATOM 0 HD22 LEU A 7 15.714 -11.440 -2.314 1.00 22.12 H new ATOM 0 HD23 LEU A 7 15.703 -9.715 -2.753 1.00 22.12 H new ATOM 126 N GLY A 8 18.503 -10.742 -7.291 1.00 32.42 N ATOM 127 CA GLY A 8 19.615 -11.326 -8.018 1.00 4.55 C ATOM 128 C GLY A 8 20.785 -11.664 -7.114 1.00 15.10 C ATOM 129 O GLY A 8 21.915 -11.248 -7.368 1.00 23.32 O ATOM 0 H GLY A 8 18.701 -9.840 -6.857 1.00 32.42 H new ATOM 0 HA2 GLY A 8 19.279 -12.230 -8.525 1.00 4.55 H new ATOM 0 HA3 GLY A 8 19.945 -10.631 -8.790 1.00 4.55 H new ATOM 133 N PHE A 9 20.513 -12.419 -6.055 1.00 34.11 N ATOM 134 CA PHE A 9 21.551 -12.811 -5.108 1.00 55.15 C ATOM 135 C PHE A 9 21.444 -14.294 -4.767 1.00 75.32 C ATOM 136 O PHE A 9 20.433 -14.937 -5.053 1.00 51.50 O ATOM 137 CB PHE A 9 21.449 -11.974 -3.832 1.00 13.42 C ATOM 138 CG PHE A 9 20.311 -12.378 -2.939 1.00 32.11 C ATOM 139 CD1 PHE A 9 18.999 -12.257 -3.368 1.00 40.11 C ATOM 140 CD2 PHE A 9 20.553 -12.879 -1.670 1.00 30.11 C ATOM 141 CE1 PHE A 9 17.949 -12.629 -2.549 1.00 5.40 C ATOM 142 CE2 PHE A 9 19.508 -13.253 -0.847 1.00 14.34 C ATOM 143 CZ PHE A 9 18.204 -13.126 -1.286 1.00 63.21 C ATOM 0 H PHE A 9 19.583 -12.772 -5.831 1.00 34.11 H new ATOM 0 HA PHE A 9 22.520 -12.633 -5.575 1.00 55.15 H new ATOM 0 HB2 PHE A 9 22.383 -12.057 -3.277 1.00 13.42 H new ATOM 0 HB3 PHE A 9 21.332 -10.925 -4.104 1.00 13.42 H new ATOM 0 HD1 PHE A 9 18.794 -11.867 -4.354 1.00 40.11 H new ATOM 0 HD2 PHE A 9 21.570 -12.978 -1.320 1.00 30.11 H new ATOM 0 HE1 PHE A 9 16.931 -12.531 -2.896 1.00 5.40 H new ATOM 0 HE2 PHE A 9 19.710 -13.644 0.139 1.00 14.34 H new ATOM 0 HZ PHE A 9 17.386 -13.415 -0.643 1.00 63.21 H new ATOM 153 N ARG A 10 22.493 -14.832 -4.155 1.00 5.43 N ATOM 154 CA ARG A 10 22.519 -16.239 -3.776 1.00 22.22 C ATOM 155 C ARG A 10 22.537 -16.393 -2.258 1.00 21.32 C ATOM 156 O ARG A 10 22.804 -15.437 -1.529 1.00 74.42 O ATOM 157 CB ARG A 10 23.741 -16.931 -4.384 1.00 12.32 C ATOM 158 CG ARG A 10 23.540 -17.364 -5.827 1.00 0.11 C ATOM 159 CD ARG A 10 24.605 -18.358 -6.263 1.00 52.04 C ATOM 160 NE ARG A 10 24.081 -19.341 -7.209 1.00 5.35 N ATOM 161 CZ ARG A 10 23.325 -20.373 -6.852 1.00 53.42 C ATOM 162 NH1 ARG A 10 23.004 -20.555 -5.579 1.00 22.43 N ATOM 163 NH2 ARG A 10 22.887 -21.224 -7.771 1.00 35.13 N ATOM 0 H ARG A 10 23.337 -14.314 -3.911 1.00 5.43 H new ATOM 0 HA ARG A 10 21.614 -16.710 -4.161 1.00 22.22 H new ATOM 0 HB2 ARG A 10 24.594 -16.255 -4.332 1.00 12.32 H new ATOM 0 HB3 ARG A 10 23.990 -17.805 -3.782 1.00 12.32 H new ATOM 0 HG2 ARG A 10 22.553 -17.813 -5.939 1.00 0.11 H new ATOM 0 HG3 ARG A 10 23.568 -16.490 -6.478 1.00 0.11 H new ATOM 0 HD2 ARG A 10 25.436 -17.822 -6.721 1.00 52.04 H new ATOM 0 HD3 ARG A 10 25.001 -18.872 -5.387 1.00 52.04 H new ATOM 0 HE ARG A 10 24.308 -19.228 -8.197 1.00 5.35 H new ATOM 0 HH11 ARG A 10 23.338 -19.902 -4.870 1.00 22.43 H new ATOM 0 HH12 ARG A 10 22.423 -21.348 -5.308 1.00 22.43 H new ATOM 0 HH21 ARG A 10 23.131 -21.086 -8.752 1.00 35.13 H new ATOM 0 HH22 ARG A 10 22.306 -22.017 -7.497 1.00 35.13 H new ATOM 177 N VAL A 11 22.251 -17.603 -1.788 1.00 21.34 N ATOM 178 CA VAL A 11 22.235 -17.883 -0.357 1.00 32.32 C ATOM 179 C VAL A 11 22.545 -19.350 -0.080 1.00 61.13 C ATOM 180 O VAL A 11 22.044 -20.241 -0.766 1.00 2.12 O ATOM 181 CB VAL A 11 20.872 -17.532 0.268 1.00 12.54 C ATOM 182 CG1 VAL A 11 20.711 -16.024 0.385 1.00 1.53 C ATOM 183 CG2 VAL A 11 19.740 -18.135 -0.549 1.00 14.11 C ATOM 0 H VAL A 11 22.027 -18.405 -2.377 1.00 21.34 H new ATOM 0 HA VAL A 11 23.006 -17.260 0.096 1.00 32.32 H new ATOM 0 HB VAL A 11 20.832 -17.957 1.271 1.00 12.54 H new ATOM 0 HG11 VAL A 11 19.742 -15.795 0.829 1.00 1.53 H new ATOM 0 HG12 VAL A 11 21.503 -15.621 1.016 1.00 1.53 H new ATOM 0 HG13 VAL A 11 20.772 -15.574 -0.606 1.00 1.53 H new ATOM 0 HG21 VAL A 11 18.784 -17.877 -0.093 1.00 14.11 H new ATOM 0 HG22 VAL A 11 19.775 -17.742 -1.565 1.00 14.11 H new ATOM 0 HG23 VAL A 11 19.848 -19.219 -0.576 1.00 14.11 H new ATOM 193 N ALA A 12 23.374 -19.594 0.929 1.00 3.33 N ATOM 194 CA ALA A 12 23.750 -20.953 1.299 1.00 53.24 C ATOM 195 C ALA A 12 23.103 -21.362 2.618 1.00 43.41 C ATOM 196 O ALA A 12 23.306 -20.716 3.646 1.00 15.23 O ATOM 197 CB ALA A 12 25.263 -21.076 1.390 1.00 45.11 C ATOM 0 H ALA A 12 23.799 -18.868 1.506 1.00 3.33 H new ATOM 0 HA ALA A 12 23.388 -21.628 0.523 1.00 53.24 H new ATOM 0 HB1 ALA A 12 25.529 -22.096 1.667 1.00 45.11 H new ATOM 0 HB2 ALA A 12 25.706 -20.835 0.424 1.00 45.11 H new ATOM 0 HB3 ALA A 12 25.639 -20.385 2.144 1.00 45.11 H new ATOM 203 N VAL A 13 22.324 -22.438 2.581 1.00 10.13 N ATOM 204 CA VAL A 13 21.648 -22.933 3.774 1.00 31.14 C ATOM 205 C VAL A 13 22.550 -23.872 4.567 1.00 32.33 C ATOM 206 O VAL A 13 23.085 -24.839 4.027 1.00 60.22 O ATOM 207 CB VAL A 13 20.345 -23.672 3.415 1.00 10.13 C ATOM 208 CG1 VAL A 13 20.629 -24.825 2.466 1.00 64.45 C ATOM 209 CG2 VAL A 13 19.649 -24.166 4.674 1.00 20.44 C ATOM 0 H VAL A 13 22.145 -22.984 1.738 1.00 10.13 H new ATOM 0 HA VAL A 13 21.407 -22.063 4.385 1.00 31.14 H new ATOM 0 HB VAL A 13 19.679 -22.973 2.909 1.00 10.13 H new ATOM 0 HG11 VAL A 13 19.697 -25.335 2.224 1.00 64.45 H new ATOM 0 HG12 VAL A 13 21.081 -24.441 1.551 1.00 64.45 H new ATOM 0 HG13 VAL A 13 21.314 -25.527 2.941 1.00 64.45 H new ATOM 0 HG21 VAL A 13 18.730 -24.686 4.402 1.00 20.44 H new ATOM 0 HG22 VAL A 13 20.308 -24.850 5.209 1.00 20.44 H new ATOM 0 HG23 VAL A 13 19.409 -23.317 5.314 1.00 20.44 H new ATOM 219 N GLY A 14 22.714 -23.581 5.854 1.00 13.42 N ATOM 220 CA GLY A 14 23.551 -24.409 6.702 1.00 45.23 C ATOM 221 C GLY A 14 23.659 -23.871 8.115 1.00 55.54 C ATOM 222 O GLY A 14 22.663 -23.444 8.701 1.00 64.14 O ATOM 0 H GLY A 14 22.282 -22.786 6.325 1.00 13.42 H new ATOM 0 HA2 GLY A 14 23.145 -25.420 6.732 1.00 45.23 H new ATOM 0 HA3 GLY A 14 24.548 -24.479 6.266 1.00 45.23 H new ATOM 226 N ARG A 15 24.868 -23.891 8.664 1.00 25.40 N ATOM 227 CA ARG A 15 25.101 -23.404 10.018 1.00 21.43 C ATOM 228 C ARG A 15 26.316 -22.482 10.063 1.00 11.02 C ATOM 229 O ARG A 15 27.396 -22.839 9.593 1.00 4.24 O ATOM 230 CB ARG A 15 25.303 -24.579 10.978 1.00 44.42 C ATOM 231 CG ARG A 15 24.212 -25.633 10.888 1.00 24.12 C ATOM 232 CD ARG A 15 23.511 -25.824 12.224 1.00 61.01 C ATOM 233 NE ARG A 15 22.284 -26.605 12.091 1.00 0.22 N ATOM 234 CZ ARG A 15 22.266 -27.922 11.922 1.00 31.34 C ATOM 235 NH1 ARG A 15 23.403 -28.602 11.866 1.00 34.55 N ATOM 236 NH2 ARG A 15 21.109 -28.562 11.810 1.00 71.14 N ATOM 0 H ARG A 15 25.702 -24.239 8.192 1.00 25.40 H new ATOM 0 HA ARG A 15 24.224 -22.836 10.329 1.00 21.43 H new ATOM 0 HB2 ARG A 15 26.266 -25.046 10.770 1.00 44.42 H new ATOM 0 HB3 ARG A 15 25.347 -24.200 11.999 1.00 44.42 H new ATOM 0 HG2 ARG A 15 23.483 -25.340 10.132 1.00 24.12 H new ATOM 0 HG3 ARG A 15 24.645 -26.580 10.564 1.00 24.12 H new ATOM 0 HD2 ARG A 15 24.185 -26.324 12.919 1.00 61.01 H new ATOM 0 HD3 ARG A 15 23.276 -24.850 12.653 1.00 61.01 H new ATOM 0 HE ARG A 15 21.392 -26.112 12.130 1.00 0.22 H new ATOM 0 HH11 ARG A 15 24.294 -28.114 11.953 1.00 34.55 H new ATOM 0 HH12 ARG A 15 23.386 -29.614 11.736 1.00 34.55 H new ATOM 0 HH21 ARG A 15 20.232 -28.042 11.854 1.00 71.14 H new ATOM 0 HH22 ARG A 15 21.096 -29.574 11.680 1.00 71.14 H new ATOM 250 N ASP A 16 26.130 -21.295 10.631 1.00 62.25 N ATOM 251 CA ASP A 16 27.211 -20.321 10.737 1.00 34.54 C ATOM 252 C ASP A 16 28.063 -20.589 11.974 1.00 64.55 C ATOM 253 O ASP A 16 27.871 -21.587 12.668 1.00 22.50 O ATOM 254 CB ASP A 16 26.643 -18.902 10.792 1.00 61.20 C ATOM 255 CG ASP A 16 27.487 -17.911 10.015 1.00 2.14 C ATOM 256 OD1 ASP A 16 28.575 -18.301 9.541 1.00 11.20 O ATOM 257 OD2 ASP A 16 27.060 -16.745 9.881 1.00 32.42 O ATOM 0 H ASP A 16 25.242 -20.984 11.025 1.00 62.25 H new ATOM 0 HA ASP A 16 27.843 -20.417 9.854 1.00 34.54 H new ATOM 0 HB2 ASP A 16 25.629 -18.904 10.392 1.00 61.20 H new ATOM 0 HB3 ASP A 16 26.575 -18.581 11.831 1.00 61.20 H new ATOM 262 N SER A 17 29.007 -19.692 12.241 1.00 32.23 N ATOM 263 CA SER A 17 29.893 -19.834 13.391 1.00 74.32 C ATOM 264 C SER A 17 29.090 -19.989 14.679 1.00 2.32 C ATOM 265 O SER A 17 29.569 -20.564 15.657 1.00 41.34 O ATOM 266 CB SER A 17 30.822 -18.624 13.498 1.00 64.04 C ATOM 267 OG SER A 17 32.173 -19.029 13.640 1.00 32.30 O ATOM 0 H SER A 17 29.178 -18.860 11.677 1.00 32.23 H new ATOM 0 HA SER A 17 30.494 -20.732 13.247 1.00 74.32 H new ATOM 0 HB2 SER A 17 30.717 -18.001 12.609 1.00 64.04 H new ATOM 0 HB3 SER A 17 30.531 -18.012 14.352 1.00 64.04 H new ATOM 0 HG SER A 17 32.747 -18.237 13.705 1.00 32.30 H new ATOM 273 N SER A 18 27.866 -19.471 14.672 1.00 2.53 N ATOM 274 CA SER A 18 26.997 -19.547 15.841 1.00 43.41 C ATOM 275 C SER A 18 26.537 -20.981 16.083 1.00 53.20 C ATOM 276 O SER A 18 26.651 -21.503 17.191 1.00 44.10 O ATOM 277 CB SER A 18 25.784 -18.633 15.661 1.00 54.33 C ATOM 278 OG SER A 18 25.209 -18.796 14.376 1.00 40.54 O ATOM 0 H SER A 18 27.454 -18.994 13.870 1.00 2.53 H new ATOM 0 HA SER A 18 27.567 -19.215 16.709 1.00 43.41 H new ATOM 0 HB2 SER A 18 25.040 -18.855 16.426 1.00 54.33 H new ATOM 0 HB3 SER A 18 26.084 -17.594 15.800 1.00 54.33 H new ATOM 0 HG SER A 18 24.435 -18.202 14.286 1.00 40.54 H new ATOM 284 N GLY A 19 26.014 -21.613 15.036 1.00 3.21 N ATOM 285 CA GLY A 19 25.544 -22.980 15.154 1.00 33.54 C ATOM 286 C GLY A 19 24.064 -23.059 15.474 1.00 1.24 C ATOM 287 O GLY A 19 23.682 -23.405 16.593 1.00 55.32 O ATOM 0 H GLY A 19 25.908 -21.202 14.109 1.00 3.21 H new ATOM 0 HA2 GLY A 19 25.740 -23.510 14.222 1.00 33.54 H new ATOM 0 HA3 GLY A 19 26.109 -23.489 15.935 1.00 33.54 H new ATOM 291 N CYS A 20 23.230 -22.736 14.492 1.00 3.21 N ATOM 292 CA CYS A 20 21.784 -22.769 14.675 1.00 14.14 C ATOM 293 C CYS A 20 21.081 -23.176 13.384 1.00 1.32 C ATOM 294 O CYS A 20 20.809 -24.355 13.157 1.00 62.22 O ATOM 295 CB CYS A 20 21.276 -21.402 15.138 1.00 71.33 C ATOM 296 SG CYS A 20 21.122 -21.240 16.932 1.00 72.40 S ATOM 0 H CYS A 20 23.531 -22.448 13.561 1.00 3.21 H new ATOM 0 HA CYS A 20 21.557 -23.511 15.440 1.00 14.14 H new ATOM 0 HB2 CYS A 20 21.954 -20.631 14.771 1.00 71.33 H new ATOM 0 HB3 CYS A 20 20.304 -21.214 14.682 1.00 71.33 H new ATOM 0 HG CYS A 20 22.042 -21.952 17.513 1.00 72.40 H new ATOM 302 N THR A 21 20.788 -22.191 12.541 1.00 74.05 N ATOM 303 CA THR A 21 20.114 -22.445 11.273 1.00 21.54 C ATOM 304 C THR A 21 19.805 -21.143 10.544 1.00 63.24 C ATOM 305 O THR A 21 18.688 -20.630 10.612 1.00 31.15 O ATOM 306 CB THR A 21 18.803 -23.228 11.481 1.00 45.41 C ATOM 307 OG1 THR A 21 18.423 -23.188 12.861 1.00 73.22 O ATOM 308 CG2 THR A 21 18.959 -24.673 11.034 1.00 64.33 C ATOM 0 H THR A 21 21.007 -21.210 12.713 1.00 74.05 H new ATOM 0 HA THR A 21 20.794 -23.044 10.668 1.00 21.54 H new ATOM 0 HB THR A 21 18.026 -22.760 10.877 1.00 45.41 H new ATOM 0 HG1 THR A 21 17.588 -23.687 12.985 1.00 73.22 H new ATOM 0 HG21 THR A 21 18.021 -25.206 11.190 1.00 64.33 H new ATOM 0 HG22 THR A 21 19.220 -24.700 9.976 1.00 64.33 H new ATOM 0 HG23 THR A 21 19.748 -25.150 11.615 1.00 64.33 H new ATOM 316 N THR A 22 20.802 -20.612 9.843 1.00 5.10 N ATOM 317 CA THR A 22 20.637 -19.369 9.100 1.00 3.35 C ATOM 318 C THR A 22 21.406 -19.408 7.784 1.00 34.24 C ATOM 319 O THR A 22 22.376 -20.154 7.642 1.00 14.10 O ATOM 320 CB THR A 22 21.112 -18.156 9.923 1.00 41.12 C ATOM 321 OG1 THR A 22 21.538 -17.106 9.047 1.00 71.44 O ATOM 322 CG2 THR A 22 22.254 -18.544 10.850 1.00 61.12 C ATOM 0 H THR A 22 21.733 -21.024 9.774 1.00 5.10 H new ATOM 0 HA THR A 22 19.572 -19.264 8.892 1.00 3.35 H new ATOM 0 HB THR A 22 20.276 -17.807 10.529 1.00 41.12 H new ATOM 0 HG1 THR A 22 21.837 -16.338 9.578 1.00 71.44 H new ATOM 0 HG21 THR A 22 22.572 -17.671 11.420 1.00 61.12 H new ATOM 0 HG22 THR A 22 21.918 -19.323 11.535 1.00 61.12 H new ATOM 0 HG23 THR A 22 23.091 -18.917 10.260 1.00 61.12 H new ATOM 330 N LEU A 23 20.967 -18.601 6.825 1.00 63.24 N ATOM 331 CA LEU A 23 21.615 -18.543 5.519 1.00 71.23 C ATOM 332 C LEU A 23 22.560 -17.349 5.432 1.00 12.10 C ATOM 333 O LEU A 23 22.442 -16.395 6.201 1.00 45.21 O ATOM 334 CB LEU A 23 20.565 -18.459 4.410 1.00 54.41 C ATOM 335 CG LEU A 23 19.970 -19.789 3.946 1.00 52.42 C ATOM 336 CD1 LEU A 23 19.367 -20.543 5.121 1.00 4.10 C ATOM 337 CD2 LEU A 23 18.923 -19.557 2.866 1.00 43.14 C ATOM 0 H LEU A 23 20.166 -17.978 6.927 1.00 63.24 H new ATOM 0 HA LEU A 23 22.199 -19.454 5.390 1.00 71.23 H new ATOM 0 HB2 LEU A 23 19.752 -17.821 4.755 1.00 54.41 H new ATOM 0 HB3 LEU A 23 21.014 -17.965 3.549 1.00 54.41 H new ATOM 0 HG LEU A 23 20.771 -20.396 3.524 1.00 52.42 H new ATOM 0 HD11 LEU A 23 18.948 -21.487 4.771 1.00 4.10 H new ATOM 0 HD12 LEU A 23 20.141 -20.742 5.862 1.00 4.10 H new ATOM 0 HD13 LEU A 23 18.578 -19.942 5.573 1.00 4.10 H new ATOM 0 HD21 LEU A 23 18.510 -20.514 2.548 1.00 43.14 H new ATOM 0 HD22 LEU A 23 18.124 -18.931 3.263 1.00 43.14 H new ATOM 0 HD23 LEU A 23 19.384 -19.059 2.013 1.00 43.14 H new ATOM 349 N SER A 24 23.495 -17.408 4.489 1.00 0.14 N ATOM 350 CA SER A 24 24.461 -16.332 4.303 1.00 43.11 C ATOM 351 C SER A 24 24.302 -15.691 2.927 1.00 21.15 C ATOM 352 O SER A 24 24.263 -16.383 1.909 1.00 14.25 O ATOM 353 CB SER A 24 25.886 -16.863 4.469 1.00 64.23 C ATOM 354 OG SER A 24 26.721 -15.899 5.087 1.00 63.33 O ATOM 0 H SER A 24 23.604 -18.189 3.842 1.00 0.14 H new ATOM 0 HA SER A 24 24.273 -15.573 5.062 1.00 43.11 H new ATOM 0 HB2 SER A 24 25.871 -17.773 5.069 1.00 64.23 H new ATOM 0 HB3 SER A 24 26.294 -17.130 3.494 1.00 64.23 H new ATOM 0 HG SER A 24 26.459 -15.793 6.025 1.00 63.33 H new ATOM 360 N ILE A 25 24.211 -14.366 2.906 1.00 2.32 N ATOM 361 CA ILE A 25 24.057 -13.631 1.657 1.00 44.02 C ATOM 362 C ILE A 25 25.409 -13.376 0.999 1.00 63.11 C ATOM 363 O ILE A 25 26.218 -12.597 1.503 1.00 61.42 O ATOM 364 CB ILE A 25 23.346 -12.284 1.880 1.00 54.40 C ATOM 365 CG1 ILE A 25 22.178 -12.454 2.854 1.00 72.12 C ATOM 366 CG2 ILE A 25 22.859 -11.716 0.555 1.00 11.21 C ATOM 367 CD1 ILE A 25 21.169 -13.491 2.412 1.00 21.21 C ATOM 0 H ILE A 25 24.241 -13.779 3.740 1.00 2.32 H new ATOM 0 HA ILE A 25 23.446 -14.250 1.000 1.00 44.02 H new ATOM 0 HB ILE A 25 24.058 -11.582 2.314 1.00 54.40 H new ATOM 0 HG12 ILE A 25 22.569 -12.733 3.832 1.00 72.12 H new ATOM 0 HG13 ILE A 25 21.673 -11.495 2.974 1.00 72.12 H new ATOM 0 HG21 ILE A 25 22.358 -10.764 0.729 1.00 11.21 H new ATOM 0 HG22 ILE A 25 23.709 -11.563 -0.110 1.00 11.21 H new ATOM 0 HG23 ILE A 25 22.160 -12.414 0.095 1.00 11.21 H new ATOM 0 HD11 ILE A 25 20.369 -13.558 3.150 1.00 21.21 H new ATOM 0 HD12 ILE A 25 20.750 -13.203 1.448 1.00 21.21 H new ATOM 0 HD13 ILE A 25 21.660 -14.460 2.320 1.00 21.21 H new ATOM 379 N GLN A 26 25.646 -14.037 -0.130 1.00 12.31 N ATOM 380 CA GLN A 26 26.900 -13.880 -0.857 1.00 73.35 C ATOM 381 C GLN A 26 26.878 -12.619 -1.714 1.00 44.31 C ATOM 382 O GLN A 26 27.927 -12.084 -2.073 1.00 52.12 O ATOM 383 CB GLN A 26 27.159 -15.104 -1.738 1.00 22.35 C ATOM 384 CG GLN A 26 27.429 -16.375 -0.948 1.00 71.11 C ATOM 385 CD GLN A 26 26.922 -17.618 -1.652 1.00 63.34 C ATOM 386 OE1 GLN A 26 27.698 -18.372 -2.241 1.00 40.11 O ATOM 387 NE2 GLN A 26 25.614 -17.840 -1.596 1.00 2.42 N ATOM 0 H GLN A 26 24.987 -14.686 -0.560 1.00 12.31 H new ATOM 0 HA GLN A 26 27.705 -13.788 -0.128 1.00 73.35 H new ATOM 0 HB2 GLN A 26 26.297 -15.265 -2.385 1.00 22.35 H new ATOM 0 HB3 GLN A 26 28.011 -14.901 -2.387 1.00 22.35 H new ATOM 0 HG2 GLN A 26 28.501 -16.471 -0.777 1.00 71.11 H new ATOM 0 HG3 GLN A 26 26.955 -16.298 0.031 1.00 71.11 H new ATOM 0 HE21 GLN A 26 25.007 -17.189 -1.097 1.00 2.42 H new ATOM 0 HE22 GLN A 26 25.216 -18.661 -2.052 1.00 2.42 H new ATOM 396 N GLU A 27 25.678 -12.149 -2.038 1.00 35.31 N ATOM 397 CA GLU A 27 25.521 -10.951 -2.854 1.00 1.13 C ATOM 398 C GLU A 27 24.873 -9.827 -2.051 1.00 13.13 C ATOM 399 O GLU A 27 24.661 -9.953 -0.845 1.00 14.24 O ATOM 400 CB GLU A 27 24.679 -11.258 -4.094 1.00 42.40 C ATOM 401 CG GLU A 27 25.425 -11.053 -5.402 1.00 22.31 C ATOM 402 CD GLU A 27 25.410 -9.609 -5.862 1.00 43.44 C ATOM 403 OE1 GLU A 27 24.305 -9.057 -6.048 1.00 21.12 O ATOM 404 OE2 GLU A 27 26.503 -9.030 -6.038 1.00 13.23 O ATOM 0 H GLU A 27 24.800 -12.580 -1.748 1.00 35.31 H new ATOM 0 HA GLU A 27 26.512 -10.625 -3.169 1.00 1.13 H new ATOM 0 HB2 GLU A 27 24.332 -12.290 -4.041 1.00 42.40 H new ATOM 0 HB3 GLU A 27 23.793 -10.623 -4.087 1.00 42.40 H new ATOM 0 HG2 GLU A 27 26.457 -11.382 -5.282 1.00 22.31 H new ATOM 0 HG3 GLU A 27 24.978 -11.681 -6.173 1.00 22.31 H new ATOM 411 N VAL A 28 24.561 -8.727 -2.729 1.00 14.12 N ATOM 412 CA VAL A 28 23.936 -7.580 -2.080 1.00 61.31 C ATOM 413 C VAL A 28 22.642 -7.188 -2.784 1.00 41.22 C ATOM 414 O VAL A 28 22.637 -6.328 -3.666 1.00 65.21 O ATOM 415 CB VAL A 28 24.883 -6.365 -2.055 1.00 33.53 C ATOM 416 CG1 VAL A 28 25.738 -6.381 -0.797 1.00 11.11 C ATOM 417 CG2 VAL A 28 25.754 -6.343 -3.301 1.00 71.35 C ATOM 0 H VAL A 28 24.731 -8.606 -3.727 1.00 14.12 H new ATOM 0 HA VAL A 28 23.713 -7.878 -1.056 1.00 61.31 H new ATOM 0 HB VAL A 28 24.281 -5.457 -2.045 1.00 33.53 H new ATOM 0 HG11 VAL A 28 26.401 -5.516 -0.796 1.00 11.11 H new ATOM 0 HG12 VAL A 28 25.094 -6.345 0.081 1.00 11.11 H new ATOM 0 HG13 VAL A 28 26.333 -7.294 -0.773 1.00 11.11 H new ATOM 0 HG21 VAL A 28 26.417 -5.478 -3.267 1.00 71.35 H new ATOM 0 HG22 VAL A 28 26.350 -7.255 -3.345 1.00 71.35 H new ATOM 0 HG23 VAL A 28 25.121 -6.280 -4.186 1.00 71.35 H new ATOM 427 N THR A 29 21.543 -7.823 -2.389 1.00 23.31 N ATOM 428 CA THR A 29 20.242 -7.542 -2.982 1.00 42.31 C ATOM 429 C THR A 29 19.472 -6.517 -2.157 1.00 31.32 C ATOM 430 O THR A 29 18.256 -6.385 -2.294 1.00 21.10 O ATOM 431 CB THR A 29 19.395 -8.822 -3.112 1.00 10.53 C ATOM 432 OG1 THR A 29 18.154 -8.524 -3.761 1.00 13.34 O ATOM 433 CG2 THR A 29 19.125 -9.432 -1.745 1.00 32.40 C ATOM 0 H THR A 29 21.528 -8.536 -1.660 1.00 23.31 H new ATOM 0 HA THR A 29 20.429 -7.137 -3.977 1.00 42.31 H new ATOM 0 HB THR A 29 19.953 -9.542 -3.710 1.00 10.53 H new ATOM 0 HG1 THR A 29 17.835 -7.645 -3.468 1.00 13.34 H new ATOM 0 HG21 THR A 29 18.525 -10.335 -1.861 1.00 32.40 H new ATOM 0 HG22 THR A 29 20.071 -9.684 -1.266 1.00 32.40 H new ATOM 0 HG23 THR A 29 18.585 -8.715 -1.127 1.00 32.40 H new ATOM 441 N GLN A 30 20.187 -5.795 -1.301 1.00 5.11 N ATOM 442 CA GLN A 30 19.569 -4.782 -0.454 1.00 3.04 C ATOM 443 C GLN A 30 19.985 -3.381 -0.889 1.00 51.40 C ATOM 444 O GLN A 30 20.520 -2.605 -0.096 1.00 11.00 O ATOM 445 CB GLN A 30 19.952 -5.009 1.010 1.00 13.50 C ATOM 446 CG GLN A 30 19.820 -6.456 1.456 1.00 3.22 C ATOM 447 CD GLN A 30 21.136 -7.043 1.927 1.00 62.20 C ATOM 448 OE1 GLN A 30 21.195 -7.719 2.955 1.00 43.23 O ATOM 449 NE2 GLN A 30 22.201 -6.788 1.176 1.00 60.44 N ATOM 0 H GLN A 30 21.195 -5.893 -1.176 1.00 5.11 H new ATOM 0 HA GLN A 30 18.487 -4.868 -0.557 1.00 3.04 H new ATOM 0 HB2 GLN A 30 20.981 -4.683 1.162 1.00 13.50 H new ATOM 0 HB3 GLN A 30 19.322 -4.384 1.643 1.00 13.50 H new ATOM 0 HG2 GLN A 30 19.089 -6.519 2.262 1.00 3.22 H new ATOM 0 HG3 GLN A 30 19.435 -7.053 0.630 1.00 3.22 H new ATOM 0 HE21 GLN A 30 22.106 -6.223 0.332 1.00 60.44 H new ATOM 0 HE22 GLN A 30 23.114 -7.157 1.443 1.00 60.44 H new ATOM 458 N THR A 31 19.736 -3.061 -2.155 1.00 73.33 N ATOM 459 CA THR A 31 20.085 -1.754 -2.697 1.00 22.21 C ATOM 460 C THR A 31 19.285 -1.450 -3.958 1.00 41.13 C ATOM 461 O THR A 31 19.707 -0.652 -4.796 1.00 25.24 O ATOM 462 CB THR A 31 21.588 -1.664 -3.022 1.00 22.31 C ATOM 463 OG1 THR A 31 22.065 -2.931 -3.490 1.00 12.11 O ATOM 464 CG2 THR A 31 22.382 -1.239 -1.796 1.00 24.41 C ATOM 0 H THR A 31 19.293 -3.690 -2.825 1.00 73.33 H new ATOM 0 HA THR A 31 19.842 -1.019 -1.930 1.00 22.21 H new ATOM 0 HB THR A 31 21.724 -0.915 -3.802 1.00 22.31 H new ATOM 0 HG1 THR A 31 23.021 -2.865 -3.696 1.00 12.11 H new ATOM 0 HG21 THR A 31 23.441 -1.182 -2.050 1.00 24.41 H new ATOM 0 HG22 THR A 31 22.037 -0.261 -1.460 1.00 24.41 H new ATOM 0 HG23 THR A 31 22.239 -1.968 -0.999 1.00 24.41 H new ATOM 472 N TYR A 32 18.128 -2.089 -4.088 1.00 21.32 N ATOM 473 CA TYR A 32 17.269 -1.888 -5.249 1.00 3.13 C ATOM 474 C TYR A 32 15.828 -1.627 -4.822 1.00 21.14 C ATOM 475 O TYR A 32 15.463 -1.833 -3.663 1.00 63.25 O ATOM 476 CB TYR A 32 17.327 -3.108 -6.170 1.00 1.41 C ATOM 477 CG TYR A 32 16.459 -4.256 -5.709 1.00 33.30 C ATOM 478 CD1 TYR A 32 16.706 -4.899 -4.502 1.00 63.33 C ATOM 479 CD2 TYR A 32 15.391 -4.699 -6.480 1.00 63.31 C ATOM 480 CE1 TYR A 32 15.916 -5.950 -4.077 1.00 40.32 C ATOM 481 CE2 TYR A 32 14.595 -5.748 -6.062 1.00 51.24 C ATOM 482 CZ TYR A 32 14.861 -6.370 -4.860 1.00 43.15 C ATOM 483 OH TYR A 32 14.071 -7.416 -4.441 1.00 42.35 O ATOM 0 H TYR A 32 17.763 -2.751 -3.403 1.00 21.32 H new ATOM 0 HA TYR A 32 17.632 -1.015 -5.791 1.00 3.13 H new ATOM 0 HB2 TYR A 32 17.019 -2.811 -7.173 1.00 1.41 H new ATOM 0 HB3 TYR A 32 18.359 -3.450 -6.242 1.00 1.41 H new ATOM 0 HD1 TYR A 32 17.530 -4.571 -3.885 1.00 63.33 H new ATOM 0 HD2 TYR A 32 15.180 -4.215 -7.422 1.00 63.31 H new ATOM 0 HE1 TYR A 32 16.123 -6.440 -3.137 1.00 40.32 H new ATOM 0 HE2 TYR A 32 13.769 -6.079 -6.673 1.00 51.24 H new ATOM 0 HH TYR A 32 13.445 -7.100 -3.756 1.00 42.35 H new ATOM 493 N THR A 33 15.011 -1.172 -5.766 1.00 72.24 N ATOM 494 CA THR A 33 13.610 -0.882 -5.490 1.00 75.11 C ATOM 495 C THR A 33 12.871 -0.478 -6.761 1.00 12.23 C ATOM 496 O THR A 33 13.410 -0.577 -7.862 1.00 72.21 O ATOM 497 CB THR A 33 13.464 0.241 -4.446 1.00 34.33 C ATOM 498 OG1 THR A 33 12.126 0.265 -3.936 1.00 33.32 O ATOM 499 CG2 THR A 33 13.804 1.593 -5.054 1.00 23.14 C ATOM 0 H THR A 33 15.296 -0.996 -6.730 1.00 72.24 H new ATOM 0 HA THR A 33 13.170 -1.797 -5.093 1.00 75.11 H new ATOM 0 HB THR A 33 14.160 0.042 -3.631 1.00 34.33 H new ATOM 0 HG1 THR A 33 12.125 -0.042 -3.005 1.00 33.32 H new ATOM 0 HG21 THR A 33 13.694 2.370 -4.298 1.00 23.14 H new ATOM 0 HG22 THR A 33 14.832 1.581 -5.415 1.00 23.14 H new ATOM 0 HG23 THR A 33 13.130 1.798 -5.886 1.00 23.14 H new ATOM 507 N GLY A 34 11.633 -0.020 -6.600 1.00 73.20 N ATOM 508 CA GLY A 34 10.840 0.393 -7.743 1.00 63.04 C ATOM 509 C GLY A 34 9.365 0.094 -7.565 1.00 61.52 C ATOM 510 O GLY A 34 8.912 -1.016 -7.844 1.00 71.44 O ATOM 0 H GLY A 34 11.165 0.072 -5.698 1.00 73.20 H new ATOM 0 HA2 GLY A 34 10.973 1.462 -7.906 1.00 63.04 H new ATOM 0 HA3 GLY A 34 11.205 -0.114 -8.636 1.00 63.04 H new ATOM 514 N SER A 35 8.614 1.085 -7.097 1.00 52.23 N ATOM 515 CA SER A 35 7.182 0.921 -6.877 1.00 32.24 C ATOM 516 C SER A 35 6.567 2.202 -6.321 1.00 22.22 C ATOM 517 O SER A 35 5.911 2.952 -7.042 1.00 32.21 O ATOM 518 CB SER A 35 6.922 -0.241 -5.916 1.00 25.30 C ATOM 519 OG SER A 35 8.083 -0.551 -5.165 1.00 5.33 O ATOM 0 H SER A 35 8.973 2.010 -6.863 1.00 52.23 H new ATOM 0 HA SER A 35 6.715 0.701 -7.837 1.00 32.24 H new ATOM 0 HB2 SER A 35 6.106 0.017 -5.241 1.00 25.30 H new ATOM 0 HB3 SER A 35 6.604 -1.119 -6.479 1.00 25.30 H new ATOM 0 HG SER A 35 8.580 -1.268 -5.612 1.00 5.33 H new ATOM 525 N ASN A 36 6.786 2.445 -5.033 1.00 33.04 N ATOM 526 CA ASN A 36 6.253 3.635 -4.378 1.00 63.33 C ATOM 527 C ASN A 36 7.288 4.756 -4.362 1.00 71.24 C ATOM 528 O ASN A 36 7.242 5.645 -3.514 1.00 1.15 O ATOM 529 CB ASN A 36 5.820 3.305 -2.948 1.00 61.04 C ATOM 530 CG ASN A 36 4.915 4.369 -2.359 1.00 10.34 C ATOM 531 OD1 ASN A 36 4.292 5.143 -3.086 1.00 20.11 O ATOM 532 ND2 ASN A 36 4.839 4.413 -1.034 1.00 32.05 N ATOM 0 H ASN A 36 7.328 1.834 -4.422 1.00 33.04 H new ATOM 0 HA ASN A 36 5.385 3.973 -4.944 1.00 63.33 H new ATOM 0 HB2 ASN A 36 5.302 2.346 -2.940 1.00 61.04 H new ATOM 0 HB3 ASN A 36 6.704 3.195 -2.320 1.00 61.04 H new ATOM 0 HD21 ASN A 36 4.247 5.108 -0.580 1.00 32.05 H new ATOM 0 HD22 ASN A 36 5.373 3.752 -0.470 1.00 32.05 H new ATOM 539 N GLY A 37 8.221 4.706 -5.309 1.00 11.45 N ATOM 540 CA GLY A 37 9.253 5.723 -5.386 1.00 4.21 C ATOM 541 C GLY A 37 10.287 5.420 -6.453 1.00 14.31 C ATOM 542 O GLY A 37 10.476 6.202 -7.384 1.00 13.23 O ATOM 0 H GLY A 37 8.280 3.980 -6.023 1.00 11.45 H new ATOM 0 HA2 GLY A 37 8.792 6.689 -5.595 1.00 4.21 H new ATOM 0 HA3 GLY A 37 9.748 5.808 -4.419 1.00 4.21 H new ATOM 546 N GLY A 38 10.959 4.281 -6.317 1.00 42.31 N ATOM 547 CA GLY A 38 11.972 3.898 -7.283 1.00 51.13 C ATOM 548 C GLY A 38 13.262 4.674 -7.109 1.00 43.25 C ATOM 549 O GLY A 38 13.241 5.870 -6.819 1.00 71.21 O ATOM 0 H GLY A 38 10.820 3.617 -5.555 1.00 42.31 H new ATOM 0 HA2 GLY A 38 12.177 2.832 -7.186 1.00 51.13 H new ATOM 0 HA3 GLY A 38 11.588 4.059 -8.290 1.00 51.13 H new ATOM 553 N ALA A 39 14.389 3.992 -7.286 1.00 4.51 N ATOM 554 CA ALA A 39 15.695 4.626 -7.147 1.00 31.30 C ATOM 555 C ALA A 39 16.819 3.635 -7.433 1.00 14.31 C ATOM 556 O ALA A 39 17.550 3.777 -8.413 1.00 52.51 O ATOM 557 CB ALA A 39 15.850 5.215 -5.753 1.00 21.12 C ATOM 0 H ALA A 39 14.424 3.001 -7.526 1.00 4.51 H new ATOM 0 HA ALA A 39 15.761 5.431 -7.879 1.00 31.30 H new ATOM 0 HB1 ALA A 39 16.829 5.685 -5.663 1.00 21.12 H new ATOM 0 HB2 ALA A 39 15.073 5.961 -5.585 1.00 21.12 H new ATOM 0 HB3 ALA A 39 15.759 4.422 -5.011 1.00 21.12 H new ATOM 563 N ASP A 40 16.951 2.633 -6.571 1.00 0.20 N ATOM 564 CA ASP A 40 17.986 1.618 -6.731 1.00 41.53 C ATOM 565 C ASP A 40 19.376 2.243 -6.653 1.00 32.32 C ATOM 566 O ASP A 40 19.830 2.893 -7.595 1.00 41.11 O ATOM 567 CB ASP A 40 17.815 0.891 -8.066 1.00 12.11 C ATOM 568 CG ASP A 40 16.371 0.522 -8.343 1.00 13.01 C ATOM 569 OD1 ASP A 40 15.566 1.438 -8.614 1.00 22.33 O ATOM 570 OD2 ASP A 40 16.045 -0.683 -8.288 1.00 12.51 O ATOM 0 H ASP A 40 16.354 2.502 -5.754 1.00 0.20 H new ATOM 0 HA ASP A 40 17.884 0.899 -5.918 1.00 41.53 H new ATOM 0 HB2 ASP A 40 18.186 1.525 -8.872 1.00 12.11 H new ATOM 0 HB3 ASP A 40 18.424 -0.013 -8.065 1.00 12.11 H new ATOM 575 N LEU A 41 20.046 2.042 -5.524 1.00 31.25 N ATOM 576 CA LEU A 41 21.384 2.586 -5.321 1.00 23.21 C ATOM 577 C LEU A 41 21.915 2.225 -3.937 1.00 52.30 C ATOM 578 O LEU A 41 22.977 1.617 -3.808 1.00 33.12 O ATOM 579 CB LEU A 41 21.370 4.106 -5.494 1.00 61.53 C ATOM 580 CG LEU A 41 22.585 4.855 -4.947 1.00 65.10 C ATOM 581 CD1 LEU A 41 23.863 4.345 -5.595 1.00 63.11 C ATOM 582 CD2 LEU A 41 22.433 6.353 -5.170 1.00 23.53 C ATOM 0 H LEU A 41 19.685 1.506 -4.735 1.00 31.25 H new ATOM 0 HA LEU A 41 22.045 2.147 -6.069 1.00 23.21 H new ATOM 0 HB2 LEU A 41 21.279 4.330 -6.557 1.00 61.53 H new ATOM 0 HB3 LEU A 41 20.477 4.499 -5.008 1.00 61.53 H new ATOM 0 HG LEU A 41 22.648 4.672 -3.874 1.00 65.10 H new ATOM 0 HD11 LEU A 41 24.717 4.890 -5.193 1.00 63.11 H new ATOM 0 HD12 LEU A 41 23.979 3.282 -5.384 1.00 63.11 H new ATOM 0 HD13 LEU A 41 23.810 4.497 -6.673 1.00 63.11 H new ATOM 0 HD21 LEU A 41 23.307 6.870 -4.774 1.00 23.53 H new ATOM 0 HD22 LEU A 41 22.344 6.555 -6.237 1.00 23.53 H new ATOM 0 HD23 LEU A 41 21.539 6.708 -4.658 1.00 23.53 H new ATOM 594 N MET A 42 21.167 2.603 -2.905 1.00 41.44 N ATOM 595 CA MET A 42 21.561 2.317 -1.531 1.00 31.41 C ATOM 596 C MET A 42 20.467 2.734 -0.553 1.00 52.15 C ATOM 597 O MET A 42 20.041 3.888 -0.539 1.00 44.30 O ATOM 598 CB MET A 42 22.867 3.037 -1.191 1.00 12.50 C ATOM 599 CG MET A 42 24.070 2.112 -1.116 1.00 63.13 C ATOM 600 SD MET A 42 25.589 2.900 -1.686 1.00 72.43 S ATOM 601 CE MET A 42 25.552 4.425 -0.748 1.00 55.13 C ATOM 0 H MET A 42 20.285 3.108 -2.995 1.00 41.44 H new ATOM 0 HA MET A 42 21.714 1.242 -1.440 1.00 31.41 H new ATOM 0 HB2 MET A 42 23.055 3.804 -1.942 1.00 12.50 H new ATOM 0 HB3 MET A 42 22.752 3.548 -0.235 1.00 12.50 H new ATOM 0 HG2 MET A 42 24.203 1.778 -0.087 1.00 63.13 H new ATOM 0 HG3 MET A 42 23.878 1.224 -1.718 1.00 63.13 H new ATOM 0 HE1 MET A 42 26.543 4.878 -0.751 1.00 55.13 H new ATOM 0 HE2 MET A 42 24.838 5.113 -1.200 1.00 55.13 H new ATOM 0 HE3 MET A 42 25.252 4.214 0.278 1.00 55.13 H new ATOM 611 N GLY A 43 20.015 1.786 0.263 1.00 51.45 N ATOM 612 CA GLY A 43 18.974 2.076 1.231 1.00 11.12 C ATOM 613 C GLY A 43 19.075 1.206 2.469 1.00 50.25 C ATOM 614 O GLY A 43 19.606 1.617 3.501 1.00 52.14 O ATOM 0 H GLY A 43 20.351 0.823 0.271 1.00 51.45 H new ATOM 0 HA2 GLY A 43 19.034 3.125 1.522 1.00 11.12 H new ATOM 0 HA3 GLY A 43 17.999 1.930 0.766 1.00 11.12 H new ATOM 618 N PRO A 44 18.555 -0.027 2.374 1.00 12.51 N ATOM 619 CA PRO A 44 18.576 -0.982 3.486 1.00 52.22 C ATOM 620 C PRO A 44 19.981 -1.492 3.786 1.00 43.44 C ATOM 621 O PRO A 44 20.237 -2.040 4.857 1.00 23.01 O ATOM 622 CB PRO A 44 17.687 -2.125 2.988 1.00 3.42 C ATOM 623 CG PRO A 44 17.762 -2.043 1.503 1.00 71.25 C ATOM 624 CD PRO A 44 17.907 -0.583 1.175 1.00 53.14 C ATOM 0 HA PRO A 44 18.233 -0.531 4.417 1.00 52.22 H new ATOM 0 HB2 PRO A 44 18.043 -3.090 3.350 1.00 3.42 H new ATOM 0 HB3 PRO A 44 16.662 -2.011 3.340 1.00 3.42 H new ATOM 0 HG2 PRO A 44 18.609 -2.614 1.123 1.00 71.25 H new ATOM 0 HG3 PRO A 44 16.865 -2.459 1.044 1.00 71.25 H new ATOM 0 HD2 PRO A 44 18.514 -0.430 0.283 1.00 53.14 H new ATOM 0 HD3 PRO A 44 16.940 -0.115 0.987 1.00 53.14 H new ATOM 632 N ALA A 45 20.889 -1.307 2.832 1.00 13.55 N ATOM 633 CA ALA A 45 22.269 -1.746 2.996 1.00 10.42 C ATOM 634 C ALA A 45 23.172 -0.583 3.393 1.00 14.44 C ATOM 635 O ALA A 45 22.702 0.534 3.613 1.00 52.11 O ATOM 636 CB ALA A 45 22.772 -2.393 1.715 1.00 63.14 C ATOM 0 H ALA A 45 20.693 -0.856 1.938 1.00 13.55 H new ATOM 0 HA ALA A 45 22.297 -2.483 3.798 1.00 10.42 H new ATOM 0 HB1 ALA A 45 23.804 -2.716 1.852 1.00 63.14 H new ATOM 0 HB2 ALA A 45 22.150 -3.256 1.475 1.00 63.14 H new ATOM 0 HB3 ALA A 45 22.723 -1.672 0.899 1.00 63.14 H new ATOM 642 N PHE A 46 24.470 -0.852 3.485 1.00 52.41 N ATOM 643 CA PHE A 46 25.438 0.173 3.858 1.00 64.23 C ATOM 644 C PHE A 46 25.305 0.536 5.334 1.00 52.13 C ATOM 645 O PHE A 46 26.190 0.246 6.138 1.00 70.02 O ATOM 646 CB PHE A 46 25.250 1.422 2.994 1.00 35.33 C ATOM 647 CG PHE A 46 26.472 2.291 2.922 1.00 64.35 C ATOM 648 CD1 PHE A 46 27.563 1.911 2.156 1.00 4.33 C ATOM 649 CD2 PHE A 46 26.531 3.487 3.618 1.00 52.22 C ATOM 650 CE1 PHE A 46 28.690 2.709 2.088 1.00 22.23 C ATOM 651 CE2 PHE A 46 27.655 4.289 3.553 1.00 12.13 C ATOM 652 CZ PHE A 46 28.735 3.900 2.787 1.00 65.34 C ATOM 0 H PHE A 46 24.876 -1.771 3.307 1.00 52.41 H new ATOM 0 HA PHE A 46 26.437 -0.229 3.690 1.00 64.23 H new ATOM 0 HB2 PHE A 46 24.971 1.117 1.985 1.00 35.33 H new ATOM 0 HB3 PHE A 46 24.421 2.007 3.391 1.00 35.33 H new ATOM 0 HD1 PHE A 46 27.532 0.982 1.606 1.00 4.33 H new ATOM 0 HD2 PHE A 46 25.689 3.797 4.219 1.00 52.22 H new ATOM 0 HE1 PHE A 46 29.534 2.402 1.489 1.00 22.23 H new ATOM 0 HE2 PHE A 46 27.688 5.219 4.101 1.00 12.13 H new ATOM 0 HZ PHE A 46 29.614 4.525 2.734 1.00 65.34 H new ATOM 662 N ALA A 47 24.192 1.174 5.682 1.00 72.44 N ATOM 663 CA ALA A 47 23.941 1.576 7.060 1.00 72.31 C ATOM 664 C ALA A 47 23.971 0.373 7.997 1.00 45.01 C ATOM 665 O ALA A 47 24.479 0.458 9.115 1.00 53.11 O ATOM 666 CB ALA A 47 22.604 2.295 7.165 1.00 61.12 C ATOM 0 H ALA A 47 23.450 1.423 5.028 1.00 72.44 H new ATOM 0 HA ALA A 47 24.734 2.260 7.363 1.00 72.31 H new ATOM 0 HB1 ALA A 47 22.430 2.590 8.200 1.00 61.12 H new ATOM 0 HB2 ALA A 47 22.618 3.183 6.532 1.00 61.12 H new ATOM 0 HB3 ALA A 47 21.806 1.629 6.838 1.00 61.12 H new ATOM 672 N ALA A 48 23.425 -0.746 7.534 1.00 72.34 N ATOM 673 CA ALA A 48 23.391 -1.967 8.330 1.00 1.52 C ATOM 674 C ALA A 48 24.636 -2.814 8.089 1.00 33.02 C ATOM 675 O ALA A 48 24.920 -3.745 8.842 1.00 42.41 O ATOM 676 CB ALA A 48 22.136 -2.767 8.016 1.00 30.21 C ATOM 0 H ALA A 48 23.000 -0.833 6.611 1.00 72.34 H new ATOM 0 HA ALA A 48 23.374 -1.685 9.383 1.00 1.52 H new ATOM 0 HB1 ALA A 48 22.124 -3.676 8.617 1.00 30.21 H new ATOM 0 HB2 ALA A 48 21.255 -2.168 8.246 1.00 30.21 H new ATOM 0 HB3 ALA A 48 22.128 -3.032 6.959 1.00 30.21 H new ATOM 682 N GLY A 49 25.374 -2.486 7.033 1.00 4.14 N ATOM 683 CA GLY A 49 26.580 -3.228 6.712 1.00 54.41 C ATOM 684 C GLY A 49 26.301 -4.439 5.844 1.00 33.15 C ATOM 685 O GLY A 49 27.146 -5.325 5.712 1.00 61.02 O ATOM 0 H GLY A 49 25.159 -1.720 6.394 1.00 4.14 H new ATOM 0 HA2 GLY A 49 27.282 -2.571 6.199 1.00 54.41 H new ATOM 0 HA3 GLY A 49 27.062 -3.550 7.635 1.00 54.41 H new ATOM 689 N LEU A 50 25.112 -4.480 5.253 1.00 32.23 N ATOM 690 CA LEU A 50 24.722 -5.593 4.395 1.00 63.52 C ATOM 691 C LEU A 50 25.696 -5.751 3.231 1.00 1.44 C ATOM 692 O LEU A 50 25.662 -4.980 2.272 1.00 52.11 O ATOM 693 CB LEU A 50 23.304 -5.381 3.863 1.00 40.25 C ATOM 694 CG LEU A 50 22.277 -4.871 4.874 1.00 32.41 C ATOM 695 CD1 LEU A 50 20.896 -4.795 4.241 1.00 63.03 C ATOM 696 CD2 LEU A 50 22.252 -5.765 6.105 1.00 30.43 C ATOM 0 H LEU A 50 24.401 -3.755 5.352 1.00 32.23 H new ATOM 0 HA LEU A 50 24.747 -6.505 4.992 1.00 63.52 H new ATOM 0 HB2 LEU A 50 23.350 -4.674 3.034 1.00 40.25 H new ATOM 0 HB3 LEU A 50 22.945 -6.326 3.456 1.00 40.25 H new ATOM 0 HG LEU A 50 22.568 -3.867 5.183 1.00 32.41 H new ATOM 0 HD11 LEU A 50 20.178 -4.430 4.976 1.00 63.03 H new ATOM 0 HD12 LEU A 50 20.923 -4.114 3.390 1.00 63.03 H new ATOM 0 HD13 LEU A 50 20.596 -5.787 3.902 1.00 63.03 H new ATOM 0 HD21 LEU A 50 21.515 -5.387 6.814 1.00 30.43 H new ATOM 0 HD22 LEU A 50 21.986 -6.781 5.812 1.00 30.43 H new ATOM 0 HD23 LEU A 50 23.237 -5.769 6.572 1.00 30.43 H new ATOM 708 N ARG A 51 26.562 -6.755 3.323 1.00 50.43 N ATOM 709 CA ARG A 51 27.545 -7.014 2.277 1.00 14.43 C ATOM 710 C ARG A 51 27.736 -8.513 2.070 1.00 31.23 C ATOM 711 O ARG A 51 27.126 -9.329 2.761 1.00 15.15 O ATOM 712 CB ARG A 51 28.882 -6.362 2.633 1.00 64.24 C ATOM 713 CG ARG A 51 28.933 -4.873 2.335 1.00 14.52 C ATOM 714 CD ARG A 51 29.181 -4.607 0.859 1.00 61.45 C ATOM 715 NE ARG A 51 29.947 -3.383 0.644 1.00 41.33 N ATOM 716 CZ ARG A 51 31.246 -3.274 0.900 1.00 40.24 C ATOM 717 NH1 ARG A 51 31.920 -4.311 1.377 1.00 63.04 N ATOM 718 NH2 ARG A 51 31.873 -2.126 0.678 1.00 43.22 N ATOM 0 H ARG A 51 26.603 -7.402 4.110 1.00 50.43 H new ATOM 0 HA ARG A 51 27.174 -6.582 1.348 1.00 14.43 H new ATOM 0 HB2 ARG A 51 29.082 -6.519 3.693 1.00 64.24 H new ATOM 0 HB3 ARG A 51 29.678 -6.862 2.081 1.00 64.24 H new ATOM 0 HG2 ARG A 51 27.994 -4.408 2.636 1.00 14.52 H new ATOM 0 HG3 ARG A 51 29.722 -4.410 2.927 1.00 14.52 H new ATOM 0 HD2 ARG A 51 29.717 -5.451 0.424 1.00 61.45 H new ATOM 0 HD3 ARG A 51 28.226 -4.533 0.339 1.00 61.45 H new ATOM 0 HE ARG A 51 29.458 -2.567 0.277 1.00 41.33 H new ATOM 0 HH11 ARG A 51 31.441 -5.195 1.548 1.00 63.04 H new ATOM 0 HH12 ARG A 51 32.917 -4.225 1.573 1.00 63.04 H new ATOM 0 HH21 ARG A 51 31.358 -1.326 0.310 1.00 43.22 H new ATOM 0 HH22 ARG A 51 32.870 -2.043 0.875 1.00 43.22 H new ATOM 732 N VAL A 52 28.587 -8.870 1.114 1.00 42.54 N ATOM 733 CA VAL A 52 28.860 -10.271 0.816 1.00 54.55 C ATOM 734 C VAL A 52 29.373 -11.005 2.049 1.00 72.00 C ATOM 735 O VAL A 52 30.254 -10.516 2.754 1.00 44.22 O ATOM 736 CB VAL A 52 29.891 -10.413 -0.319 1.00 43.43 C ATOM 737 CG1 VAL A 52 29.425 -9.668 -1.561 1.00 62.22 C ATOM 738 CG2 VAL A 52 31.254 -9.910 0.134 1.00 53.12 C ATOM 0 H VAL A 52 29.100 -8.208 0.532 1.00 42.54 H new ATOM 0 HA VAL A 52 27.917 -10.716 0.498 1.00 54.55 H new ATOM 0 HB VAL A 52 29.984 -11.469 -0.572 1.00 43.43 H new ATOM 0 HG11 VAL A 52 30.167 -9.780 -2.352 1.00 62.22 H new ATOM 0 HG12 VAL A 52 28.472 -10.079 -1.896 1.00 62.22 H new ATOM 0 HG13 VAL A 52 29.302 -8.611 -1.326 1.00 62.22 H new ATOM 0 HG21 VAL A 52 31.971 -10.018 -0.680 1.00 53.12 H new ATOM 0 HG22 VAL A 52 31.179 -8.860 0.415 1.00 53.12 H new ATOM 0 HG23 VAL A 52 31.590 -10.492 0.992 1.00 53.12 H new ATOM 748 N GLY A 53 28.814 -12.185 2.304 1.00 43.51 N ATOM 749 CA GLY A 53 29.228 -12.969 3.453 1.00 43.42 C ATOM 750 C GLY A 53 28.503 -12.565 4.721 1.00 25.35 C ATOM 751 O GLY A 53 28.893 -12.962 5.820 1.00 43.31 O ATOM 0 H GLY A 53 28.082 -12.611 1.735 1.00 43.51 H new ATOM 0 HA2 GLY A 53 29.045 -14.025 3.254 1.00 43.42 H new ATOM 0 HA3 GLY A 53 30.302 -12.854 3.600 1.00 43.42 H new ATOM 755 N ASP A 54 27.447 -11.774 4.571 1.00 2.13 N ATOM 756 CA ASP A 54 26.666 -11.316 5.714 1.00 2.25 C ATOM 757 C ASP A 54 25.374 -12.116 5.846 1.00 62.32 C ATOM 758 O ASP A 54 24.755 -12.480 4.847 1.00 53.04 O ATOM 759 CB ASP A 54 26.346 -9.827 5.577 1.00 43.51 C ATOM 760 CG ASP A 54 27.590 -8.961 5.621 1.00 40.23 C ATOM 761 OD1 ASP A 54 28.570 -9.293 4.921 1.00 31.41 O ATOM 762 OD2 ASP A 54 27.583 -7.950 6.354 1.00 63.12 O ATOM 0 H ASP A 54 27.112 -11.436 3.669 1.00 2.13 H new ATOM 0 HA ASP A 54 27.261 -11.471 6.614 1.00 2.25 H new ATOM 0 HB2 ASP A 54 25.821 -9.656 4.637 1.00 43.51 H new ATOM 0 HB3 ASP A 54 25.670 -9.528 6.378 1.00 43.51 H new ATOM 767 N GLN A 55 24.975 -12.387 7.084 1.00 24.44 N ATOM 768 CA GLN A 55 23.758 -13.146 7.345 1.00 21.54 C ATOM 769 C GLN A 55 22.555 -12.218 7.478 1.00 65.00 C ATOM 770 O GLN A 55 22.436 -11.475 8.453 1.00 33.22 O ATOM 771 CB GLN A 55 23.916 -13.981 8.617 1.00 35.45 C ATOM 772 CG GLN A 55 25.131 -14.894 8.600 1.00 42.22 C ATOM 773 CD GLN A 55 24.775 -16.335 8.296 1.00 75.55 C ATOM 774 OE1 GLN A 55 24.831 -16.772 7.145 1.00 11.44 O ATOM 775 NE2 GLN A 55 24.405 -17.085 9.328 1.00 54.43 N ATOM 0 H GLN A 55 25.476 -12.092 7.922 1.00 24.44 H new ATOM 0 HA GLN A 55 23.587 -13.813 6.500 1.00 21.54 H new ATOM 0 HB2 GLN A 55 23.987 -13.312 9.474 1.00 35.45 H new ATOM 0 HB3 GLN A 55 23.020 -14.585 8.758 1.00 35.45 H new ATOM 0 HG2 GLN A 55 25.840 -14.534 7.855 1.00 42.22 H new ATOM 0 HG3 GLN A 55 25.632 -14.844 9.567 1.00 42.22 H new ATOM 0 HE21 GLN A 55 24.372 -16.683 10.265 1.00 54.43 H new ATOM 0 HE22 GLN A 55 24.154 -18.063 9.184 1.00 54.43 H new ATOM 784 N LEU A 56 21.667 -12.265 6.491 1.00 0.45 N ATOM 785 CA LEU A 56 20.473 -11.427 6.497 1.00 34.04 C ATOM 786 C LEU A 56 19.279 -12.185 7.069 1.00 11.15 C ATOM 787 O LEU A 56 18.673 -13.013 6.390 1.00 35.41 O ATOM 788 CB LEU A 56 20.155 -10.948 5.080 1.00 40.51 C ATOM 789 CG LEU A 56 18.783 -10.303 4.881 1.00 74.40 C ATOM 790 CD1 LEU A 56 18.929 -8.894 4.329 1.00 64.15 C ATOM 791 CD2 LEU A 56 17.923 -11.154 3.957 1.00 43.32 C ATOM 0 H LEU A 56 21.751 -12.874 5.677 1.00 0.45 H new ATOM 0 HA LEU A 56 20.669 -10.562 7.131 1.00 34.04 H new ATOM 0 HB2 LEU A 56 20.919 -10.230 4.781 1.00 40.51 H new ATOM 0 HB3 LEU A 56 20.236 -11.799 4.404 1.00 40.51 H new ATOM 0 HG LEU A 56 18.289 -10.241 5.850 1.00 74.40 H new ATOM 0 HD11 LEU A 56 17.942 -8.452 4.194 1.00 64.15 H new ATOM 0 HD12 LEU A 56 19.506 -8.288 5.027 1.00 64.15 H new ATOM 0 HD13 LEU A 56 19.444 -8.931 3.369 1.00 64.15 H new ATOM 0 HD21 LEU A 56 16.950 -10.680 3.826 1.00 43.32 H new ATOM 0 HD22 LEU A 56 18.413 -11.249 2.988 1.00 43.32 H new ATOM 0 HD23 LEU A 56 17.789 -12.144 4.394 1.00 43.32 H new ATOM 803 N VAL A 57 18.945 -11.894 8.323 1.00 42.01 N ATOM 804 CA VAL A 57 17.822 -12.545 8.986 1.00 72.33 C ATOM 805 C VAL A 57 16.616 -11.616 9.064 1.00 53.14 C ATOM 806 O VAL A 57 16.732 -10.411 8.838 1.00 71.33 O ATOM 807 CB VAL A 57 18.197 -13.002 10.408 1.00 1.42 C ATOM 808 CG1 VAL A 57 17.303 -14.148 10.855 1.00 63.55 C ATOM 809 CG2 VAL A 57 19.663 -13.403 10.469 1.00 3.50 C ATOM 0 H VAL A 57 19.437 -11.211 8.900 1.00 42.01 H new ATOM 0 HA VAL A 57 17.565 -13.419 8.388 1.00 72.33 H new ATOM 0 HB VAL A 57 18.044 -12.167 11.091 1.00 1.42 H new ATOM 0 HG11 VAL A 57 17.584 -14.457 11.862 1.00 63.55 H new ATOM 0 HG12 VAL A 57 16.263 -13.821 10.852 1.00 63.55 H new ATOM 0 HG13 VAL A 57 17.421 -14.989 10.172 1.00 63.55 H new ATOM 0 HG21 VAL A 57 19.911 -13.723 11.481 1.00 3.50 H new ATOM 0 HG22 VAL A 57 19.845 -14.223 9.774 1.00 3.50 H new ATOM 0 HG23 VAL A 57 20.285 -12.551 10.196 1.00 3.50 H new ATOM 819 N ARG A 58 15.458 -12.184 9.385 1.00 10.33 N ATOM 820 CA ARG A 58 14.229 -11.406 9.493 1.00 64.04 C ATOM 821 C ARG A 58 13.640 -11.511 10.896 1.00 23.02 C ATOM 822 O ARG A 58 12.954 -10.601 11.363 1.00 62.34 O ATOM 823 CB ARG A 58 13.206 -11.885 8.461 1.00 0.22 C ATOM 824 CG ARG A 58 12.621 -10.764 7.618 1.00 40.31 C ATOM 825 CD ARG A 58 11.215 -10.402 8.070 1.00 10.11 C ATOM 826 NE ARG A 58 11.217 -9.322 9.053 1.00 0.03 N ATOM 827 CZ ARG A 58 10.188 -9.049 9.848 1.00 71.43 C ATOM 828 NH1 ARG A 58 9.080 -9.774 9.775 1.00 22.45 N ATOM 829 NH2 ARG A 58 10.266 -8.050 10.717 1.00 31.13 N ATOM 0 H ARG A 58 15.345 -13.180 9.575 1.00 10.33 H new ATOM 0 HA ARG A 58 14.471 -10.361 9.297 1.00 64.04 H new ATOM 0 HB2 ARG A 58 13.680 -12.614 7.803 1.00 0.22 H new ATOM 0 HB3 ARG A 58 12.396 -12.401 8.977 1.00 0.22 H new ATOM 0 HG2 ARG A 58 13.263 -9.885 7.683 1.00 40.31 H new ATOM 0 HG3 ARG A 58 12.601 -11.067 6.571 1.00 40.31 H new ATOM 0 HD2 ARG A 58 10.622 -10.104 7.205 1.00 10.11 H new ATOM 0 HD3 ARG A 58 10.734 -11.281 8.499 1.00 10.11 H new ATOM 0 HE ARG A 58 12.055 -8.745 9.134 1.00 0.03 H new ATOM 0 HH11 ARG A 58 9.017 -10.543 9.108 1.00 22.45 H new ATOM 0 HH12 ARG A 58 8.291 -9.563 10.386 1.00 22.45 H new ATOM 0 HH21 ARG A 58 11.117 -7.490 10.776 1.00 31.13 H new ATOM 0 HH22 ARG A 58 9.475 -7.842 11.327 1.00 31.13 H new ATOM 843 N PHE A 59 13.912 -12.627 11.565 1.00 44.14 N ATOM 844 CA PHE A 59 13.408 -12.852 12.914 1.00 3.13 C ATOM 845 C PHE A 59 14.538 -12.772 13.937 1.00 12.31 C ATOM 846 O PHE A 59 15.679 -13.130 13.647 1.00 33.11 O ATOM 847 CB PHE A 59 12.720 -14.215 13.004 1.00 71.52 C ATOM 848 CG PHE A 59 12.398 -14.633 14.410 1.00 23.51 C ATOM 849 CD1 PHE A 59 11.530 -13.885 15.188 1.00 2.32 C ATOM 850 CD2 PHE A 59 12.965 -15.775 14.954 1.00 33.02 C ATOM 851 CE1 PHE A 59 11.232 -14.267 16.483 1.00 52.34 C ATOM 852 CE2 PHE A 59 12.670 -16.162 16.248 1.00 73.23 C ATOM 853 CZ PHE A 59 11.803 -15.407 17.013 1.00 3.43 C ATOM 0 H PHE A 59 14.479 -13.390 11.194 1.00 44.14 H new ATOM 0 HA PHE A 59 12.682 -12.071 13.138 1.00 3.13 H new ATOM 0 HB2 PHE A 59 11.799 -14.187 12.422 1.00 71.52 H new ATOM 0 HB3 PHE A 59 13.363 -14.968 12.548 1.00 71.52 H new ATOM 0 HD1 PHE A 59 11.080 -12.993 14.778 1.00 2.32 H new ATOM 0 HD2 PHE A 59 13.644 -16.369 14.361 1.00 33.02 H new ATOM 0 HE1 PHE A 59 10.554 -13.675 17.079 1.00 52.34 H new ATOM 0 HE2 PHE A 59 13.117 -17.054 16.660 1.00 73.23 H new ATOM 0 HZ PHE A 59 11.572 -15.708 18.024 1.00 3.43 H new ATOM 863 N ALA A 60 14.211 -12.298 15.135 1.00 33.10 N ATOM 864 CA ALA A 60 15.196 -12.172 16.202 1.00 41.34 C ATOM 865 C ALA A 60 15.524 -13.531 16.810 1.00 61.01 C ATOM 866 O ALA A 60 15.465 -13.708 18.026 1.00 65.31 O ATOM 867 CB ALA A 60 14.692 -11.219 17.275 1.00 3.43 C ATOM 0 H ALA A 60 13.271 -11.995 15.391 1.00 33.10 H new ATOM 0 HA ALA A 60 16.111 -11.766 15.772 1.00 41.34 H new ATOM 0 HB1 ALA A 60 15.437 -11.134 18.066 1.00 3.43 H new ATOM 0 HB2 ALA A 60 14.516 -10.237 16.836 1.00 3.43 H new ATOM 0 HB3 ALA A 60 13.761 -11.602 17.694 1.00 3.43 H new ATOM 873 N GLY A 61 15.869 -14.489 15.955 1.00 70.30 N ATOM 874 CA GLY A 61 16.200 -15.821 16.427 1.00 3.14 C ATOM 875 C GLY A 61 17.366 -16.430 15.674 1.00 74.34 C ATOM 876 O GLY A 61 17.724 -17.587 15.899 1.00 15.54 O ATOM 0 H GLY A 61 15.925 -14.366 14.944 1.00 70.30 H new ATOM 0 HA2 GLY A 61 16.441 -15.777 17.489 1.00 3.14 H new ATOM 0 HA3 GLY A 61 15.328 -16.467 16.324 1.00 3.14 H new ATOM 880 N TYR A 62 17.958 -15.652 14.775 1.00 62.33 N ATOM 881 CA TYR A 62 19.087 -16.124 13.982 1.00 44.32 C ATOM 882 C TYR A 62 18.664 -17.254 13.049 1.00 52.03 C ATOM 883 O TYR A 62 19.350 -18.270 12.931 1.00 5.44 O ATOM 884 CB TYR A 62 20.217 -16.599 14.897 1.00 61.11 C ATOM 885 CG TYR A 62 20.339 -15.799 16.174 1.00 31.11 C ATOM 886 CD1 TYR A 62 20.384 -14.411 16.146 1.00 3.21 C ATOM 887 CD2 TYR A 62 20.408 -16.432 17.409 1.00 13.13 C ATOM 888 CE1 TYR A 62 20.496 -13.676 17.311 1.00 64.15 C ATOM 889 CE2 TYR A 62 20.518 -15.705 18.579 1.00 24.20 C ATOM 890 CZ TYR A 62 20.563 -14.328 18.524 1.00 11.24 C ATOM 891 OH TYR A 62 20.673 -13.599 19.687 1.00 61.43 O ATOM 0 H TYR A 62 17.675 -14.692 14.577 1.00 62.33 H new ATOM 0 HA TYR A 62 19.445 -15.292 13.376 1.00 44.32 H new ATOM 0 HB2 TYR A 62 20.053 -17.647 15.149 1.00 61.11 H new ATOM 0 HB3 TYR A 62 21.160 -16.546 14.353 1.00 61.11 H new ATOM 0 HD1 TYR A 62 20.331 -13.897 15.197 1.00 3.21 H new ATOM 0 HD2 TYR A 62 20.375 -17.511 17.455 1.00 13.13 H new ATOM 0 HE1 TYR A 62 20.531 -12.597 17.271 1.00 64.15 H new ATOM 0 HE2 TYR A 62 20.568 -16.212 19.531 1.00 24.20 H new ATOM 0 HH TYR A 62 20.707 -14.209 20.453 1.00 61.43 H new ATOM 901 N THR A 63 17.527 -17.070 12.385 1.00 53.01 N ATOM 902 CA THR A 63 17.009 -18.073 11.462 1.00 5.42 C ATOM 903 C THR A 63 16.115 -17.437 10.405 1.00 55.24 C ATOM 904 O THR A 63 15.267 -16.600 10.716 1.00 52.04 O ATOM 905 CB THR A 63 16.213 -19.162 12.205 1.00 40.10 C ATOM 906 OG1 THR A 63 15.709 -20.123 11.271 1.00 62.21 O ATOM 907 CG2 THR A 63 15.058 -18.551 12.984 1.00 22.24 C ATOM 0 H THR A 63 16.947 -16.235 12.469 1.00 53.01 H new ATOM 0 HA THR A 63 17.871 -18.531 10.977 1.00 5.42 H new ATOM 0 HB THR A 63 16.884 -19.656 12.908 1.00 40.10 H new ATOM 0 HG1 THR A 63 16.457 -20.538 10.793 1.00 62.21 H new ATOM 0 HG21 THR A 63 14.510 -19.339 13.501 1.00 22.24 H new ATOM 0 HG22 THR A 63 15.447 -17.841 13.714 1.00 22.24 H new ATOM 0 HG23 THR A 63 14.388 -18.034 12.296 1.00 22.24 H new ATOM 915 N VAL A 64 16.308 -17.839 9.153 1.00 72.54 N ATOM 916 CA VAL A 64 15.516 -17.310 8.048 1.00 23.14 C ATOM 917 C VAL A 64 14.998 -18.432 7.156 1.00 64.30 C ATOM 918 O VAL A 64 15.581 -19.516 7.099 1.00 5.42 O ATOM 919 CB VAL A 64 16.335 -16.325 7.193 1.00 52.01 C ATOM 920 CG1 VAL A 64 17.417 -17.062 6.418 1.00 12.32 C ATOM 921 CG2 VAL A 64 15.423 -15.554 6.250 1.00 63.31 C ATOM 0 H VAL A 64 17.006 -18.530 8.878 1.00 72.54 H new ATOM 0 HA VAL A 64 14.671 -16.782 8.489 1.00 23.14 H new ATOM 0 HB VAL A 64 16.821 -15.611 7.857 1.00 52.01 H new ATOM 0 HG11 VAL A 64 17.985 -16.350 5.820 1.00 12.32 H new ATOM 0 HG12 VAL A 64 18.086 -17.565 7.116 1.00 12.32 H new ATOM 0 HG13 VAL A 64 16.956 -17.800 5.762 1.00 12.32 H new ATOM 0 HG21 VAL A 64 16.018 -14.862 5.653 1.00 63.31 H new ATOM 0 HG22 VAL A 64 14.908 -16.252 5.590 1.00 63.31 H new ATOM 0 HG23 VAL A 64 14.689 -14.994 6.830 1.00 63.31 H new ATOM 931 N THR A 65 13.898 -18.166 6.458 1.00 23.54 N ATOM 932 CA THR A 65 13.300 -19.154 5.568 1.00 4.44 C ATOM 933 C THR A 65 14.034 -19.206 4.233 1.00 23.34 C ATOM 934 O THR A 65 14.819 -20.120 3.983 1.00 44.14 O ATOM 935 CB THR A 65 11.812 -18.850 5.312 1.00 62.24 C ATOM 936 OG1 THR A 65 11.078 -18.925 6.539 1.00 61.32 O ATOM 937 CG2 THR A 65 11.227 -19.828 4.304 1.00 53.32 C ATOM 0 H THR A 65 13.403 -17.275 6.492 1.00 23.54 H new ATOM 0 HA THR A 65 13.386 -20.121 6.064 1.00 4.44 H new ATOM 0 HB THR A 65 11.734 -17.842 4.905 1.00 62.24 H new ATOM 0 HG1 THR A 65 10.133 -18.729 6.368 1.00 61.32 H new ATOM 0 HG21 THR A 65 10.175 -19.594 4.139 1.00 53.32 H new ATOM 0 HG22 THR A 65 11.769 -19.747 3.362 1.00 53.32 H new ATOM 0 HG23 THR A 65 11.317 -20.844 4.688 1.00 53.32 H new ATOM 945 N GLU A 66 13.774 -18.220 3.381 1.00 74.34 N ATOM 946 CA GLU A 66 14.411 -18.156 2.071 1.00 54.15 C ATOM 947 C GLU A 66 14.425 -16.724 1.542 1.00 35.41 C ATOM 948 O GLU A 66 13.969 -15.798 2.214 1.00 3.11 O ATOM 949 CB GLU A 66 13.685 -19.070 1.081 1.00 41.44 C ATOM 950 CG GLU A 66 12.200 -18.773 0.955 1.00 62.34 C ATOM 951 CD GLU A 66 11.359 -20.032 0.871 1.00 21.35 C ATOM 952 OE1 GLU A 66 11.619 -20.971 1.653 1.00 31.21 O ATOM 953 OE2 GLU A 66 10.442 -20.079 0.025 1.00 30.04 O ATOM 0 H GLU A 66 13.127 -17.455 3.574 1.00 74.34 H new ATOM 0 HA GLU A 66 15.441 -18.495 2.179 1.00 54.15 H new ATOM 0 HB2 GLU A 66 14.151 -18.972 0.100 1.00 41.44 H new ATOM 0 HB3 GLU A 66 13.815 -20.106 1.394 1.00 41.44 H new ATOM 0 HG2 GLU A 66 11.877 -18.181 1.812 1.00 62.34 H new ATOM 0 HG3 GLU A 66 12.029 -18.166 0.066 1.00 62.34 H new ATOM 960 N LEU A 67 14.950 -16.551 0.335 1.00 64.14 N ATOM 961 CA LEU A 67 15.025 -15.233 -0.285 1.00 51.34 C ATOM 962 C LEU A 67 13.631 -14.699 -0.599 1.00 51.04 C ATOM 963 O LEU A 67 13.373 -13.502 -0.482 1.00 11.53 O ATOM 964 CB LEU A 67 15.859 -15.296 -1.566 1.00 5.12 C ATOM 965 CG LEU A 67 15.454 -16.367 -2.579 1.00 22.11 C ATOM 966 CD1 LEU A 67 14.496 -15.791 -3.610 1.00 31.40 C ATOM 967 CD2 LEU A 67 16.684 -16.951 -3.259 1.00 2.13 C ATOM 0 H LEU A 67 15.330 -17.307 -0.234 1.00 64.14 H new ATOM 0 HA LEU A 67 15.504 -14.554 0.420 1.00 51.34 H new ATOM 0 HB2 LEU A 67 15.809 -14.324 -2.056 1.00 5.12 H new ATOM 0 HB3 LEU A 67 16.900 -15.461 -1.290 1.00 5.12 H new ATOM 0 HG LEU A 67 14.943 -17.169 -2.046 1.00 22.11 H new ATOM 0 HD11 LEU A 67 14.219 -16.568 -4.323 1.00 31.40 H new ATOM 0 HD12 LEU A 67 13.601 -15.422 -3.109 1.00 31.40 H new ATOM 0 HD13 LEU A 67 14.981 -14.970 -4.138 1.00 31.40 H new ATOM 0 HD21 LEU A 67 16.376 -17.712 -3.977 1.00 2.13 H new ATOM 0 HD22 LEU A 67 17.223 -16.159 -3.779 1.00 2.13 H new ATOM 0 HD23 LEU A 67 17.335 -17.401 -2.509 1.00 2.13 H new ATOM 979 N ALA A 68 12.735 -15.596 -0.997 1.00 61.53 N ATOM 980 CA ALA A 68 11.366 -15.217 -1.324 1.00 2.42 C ATOM 981 C ALA A 68 10.686 -14.542 -0.137 1.00 51.05 C ATOM 982 O ALA A 68 10.000 -13.533 -0.295 1.00 52.31 O ATOM 983 CB ALA A 68 10.572 -16.436 -1.767 1.00 34.10 C ATOM 0 H ALA A 68 12.933 -16.591 -1.101 1.00 61.53 H new ATOM 0 HA ALA A 68 11.399 -14.502 -2.146 1.00 2.42 H new ATOM 0 HB1 ALA A 68 9.552 -16.138 -2.008 1.00 34.10 H new ATOM 0 HB2 ALA A 68 11.040 -16.874 -2.649 1.00 34.10 H new ATOM 0 HB3 ALA A 68 10.555 -17.171 -0.962 1.00 34.10 H new ATOM 989 N ALA A 69 10.880 -15.107 1.050 1.00 43.32 N ATOM 990 CA ALA A 69 10.286 -14.559 2.263 1.00 43.42 C ATOM 991 C ALA A 69 10.788 -13.143 2.529 1.00 71.25 C ATOM 992 O ALA A 69 10.000 -12.232 2.781 1.00 53.44 O ATOM 993 CB ALA A 69 10.588 -15.459 3.451 1.00 34.35 C ATOM 0 H ALA A 69 11.444 -15.944 1.197 1.00 43.32 H new ATOM 0 HA ALA A 69 9.206 -14.513 2.121 1.00 43.42 H new ATOM 0 HB1 ALA A 69 10.138 -15.038 4.350 1.00 34.35 H new ATOM 0 HB2 ALA A 69 10.175 -16.451 3.270 1.00 34.35 H new ATOM 0 HB3 ALA A 69 11.667 -15.534 3.586 1.00 34.35 H new ATOM 999 N PHE A 70 12.104 -12.966 2.471 1.00 33.33 N ATOM 1000 CA PHE A 70 12.711 -11.662 2.708 1.00 54.43 C ATOM 1001 C PHE A 70 12.369 -10.691 1.581 1.00 14.44 C ATOM 1002 O PHE A 70 12.332 -9.478 1.783 1.00 1.41 O ATOM 1003 CB PHE A 70 14.229 -11.797 2.835 1.00 23.54 C ATOM 1004 CG PHE A 70 14.954 -10.482 2.801 1.00 31.34 C ATOM 1005 CD1 PHE A 70 14.888 -9.612 3.877 1.00 0.05 C ATOM 1006 CD2 PHE A 70 15.700 -10.116 1.693 1.00 4.00 C ATOM 1007 CE1 PHE A 70 15.554 -8.401 3.850 1.00 51.04 C ATOM 1008 CE2 PHE A 70 16.369 -8.907 1.660 1.00 54.33 C ATOM 1009 CZ PHE A 70 16.294 -8.048 2.739 1.00 43.43 C ATOM 0 H PHE A 70 12.770 -13.710 2.262 1.00 33.33 H new ATOM 0 HA PHE A 70 12.309 -11.267 3.641 1.00 54.43 H new ATOM 0 HB2 PHE A 70 14.463 -12.308 3.769 1.00 23.54 H new ATOM 0 HB3 PHE A 70 14.598 -12.427 2.026 1.00 23.54 H new ATOM 0 HD1 PHE A 70 14.309 -9.883 4.748 1.00 0.05 H new ATOM 0 HD2 PHE A 70 15.760 -10.783 0.845 1.00 4.00 H new ATOM 0 HE1 PHE A 70 15.496 -7.732 4.696 1.00 51.04 H new ATOM 0 HE2 PHE A 70 16.950 -8.634 0.791 1.00 54.33 H new ATOM 0 HZ PHE A 70 16.813 -7.101 2.714 1.00 43.43 H new ATOM 1019 N ASN A 71 12.119 -11.234 0.395 1.00 62.54 N ATOM 1020 CA ASN A 71 11.781 -10.417 -0.765 1.00 22.10 C ATOM 1021 C ASN A 71 10.369 -9.854 -0.641 1.00 35.43 C ATOM 1022 O ASN A 71 10.088 -8.744 -1.094 1.00 74.30 O ATOM 1023 CB ASN A 71 11.903 -11.241 -2.049 1.00 1.34 C ATOM 1024 CG ASN A 71 11.725 -10.397 -3.296 1.00 54.00 C ATOM 1025 OD1 ASN A 71 12.392 -9.377 -3.470 1.00 12.03 O ATOM 1026 ND2 ASN A 71 10.820 -10.820 -4.172 1.00 4.12 N ATOM 0 H ASN A 71 12.144 -12.237 0.211 1.00 62.54 H new ATOM 0 HA ASN A 71 12.483 -9.584 -0.808 1.00 22.10 H new ATOM 0 HB2 ASN A 71 12.880 -11.724 -2.076 1.00 1.34 H new ATOM 0 HB3 ASN A 71 11.156 -12.034 -2.041 1.00 1.34 H new ATOM 0 HD21 ASN A 71 10.655 -10.293 -5.030 1.00 4.12 H new ATOM 0 HD22 ASN A 71 10.290 -11.671 -3.987 1.00 4.12 H new ATOM 1033 N THR A 72 9.481 -10.628 -0.022 1.00 44.04 N ATOM 1034 CA THR A 72 8.098 -10.208 0.162 1.00 60.15 C ATOM 1035 C THR A 72 7.991 -9.116 1.220 1.00 51.15 C ATOM 1036 O THR A 72 7.281 -8.127 1.036 1.00 41.02 O ATOM 1037 CB THR A 72 7.201 -11.392 0.570 1.00 61.04 C ATOM 1038 OG1 THR A 72 7.248 -12.411 -0.435 1.00 23.41 O ATOM 1039 CG2 THR A 72 5.763 -10.938 0.771 1.00 44.50 C ATOM 0 H THR A 72 9.696 -11.549 0.360 1.00 44.04 H new ATOM 0 HA THR A 72 7.757 -9.816 -0.796 1.00 60.15 H new ATOM 0 HB THR A 72 7.574 -11.793 1.512 1.00 61.04 H new ATOM 0 HG1 THR A 72 8.142 -12.812 -0.453 1.00 23.41 H new ATOM 0 HG21 THR A 72 5.149 -11.791 1.059 1.00 44.50 H new ATOM 0 HG22 THR A 72 5.726 -10.183 1.557 1.00 44.50 H new ATOM 0 HG23 THR A 72 5.382 -10.514 -0.158 1.00 44.50 H new ATOM 1047 N VAL A 73 8.701 -9.301 2.328 1.00 10.51 N ATOM 1048 CA VAL A 73 8.687 -8.329 3.415 1.00 20.35 C ATOM 1049 C VAL A 73 9.361 -7.027 2.998 1.00 70.21 C ATOM 1050 O VAL A 73 8.862 -5.938 3.282 1.00 32.20 O ATOM 1051 CB VAL A 73 9.392 -8.880 4.669 1.00 30.42 C ATOM 1052 CG1 VAL A 73 8.613 -10.051 5.249 1.00 14.22 C ATOM 1053 CG2 VAL A 73 10.820 -9.290 4.340 1.00 35.43 C ATOM 0 H VAL A 73 9.293 -10.114 2.497 1.00 10.51 H new ATOM 0 HA VAL A 73 7.641 -8.133 3.651 1.00 20.35 H new ATOM 0 HB VAL A 73 9.428 -8.091 5.420 1.00 30.42 H new ATOM 0 HG11 VAL A 73 9.126 -10.427 6.134 1.00 14.22 H new ATOM 0 HG12 VAL A 73 7.611 -9.721 5.523 1.00 14.22 H new ATOM 0 HG13 VAL A 73 8.543 -10.845 4.506 1.00 14.22 H new ATOM 0 HG21 VAL A 73 11.303 -9.677 5.237 1.00 35.43 H new ATOM 0 HG22 VAL A 73 10.809 -10.063 3.572 1.00 35.43 H new ATOM 0 HG23 VAL A 73 11.372 -8.424 3.975 1.00 35.43 H new ATOM 1063 N VAL A 74 10.499 -7.147 2.321 1.00 53.51 N ATOM 1064 CA VAL A 74 11.241 -5.979 1.862 1.00 43.20 C ATOM 1065 C VAL A 74 10.485 -5.244 0.761 1.00 71.31 C ATOM 1066 O VAL A 74 10.490 -4.015 0.704 1.00 62.01 O ATOM 1067 CB VAL A 74 12.636 -6.371 1.338 1.00 12.32 C ATOM 1068 CG1 VAL A 74 12.517 -7.171 0.050 1.00 30.44 C ATOM 1069 CG2 VAL A 74 13.493 -5.132 1.128 1.00 1.22 C ATOM 0 H VAL A 74 10.927 -8.041 2.079 1.00 53.51 H new ATOM 0 HA VAL A 74 11.356 -5.319 2.722 1.00 43.20 H new ATOM 0 HB VAL A 74 13.122 -6.999 2.084 1.00 12.32 H new ATOM 0 HG11 VAL A 74 13.512 -7.439 -0.305 1.00 30.44 H new ATOM 0 HG12 VAL A 74 11.942 -8.078 0.237 1.00 30.44 H new ATOM 0 HG13 VAL A 74 12.012 -6.570 -0.706 1.00 30.44 H new ATOM 0 HG21 VAL A 74 14.475 -5.427 0.758 1.00 1.22 H new ATOM 0 HG22 VAL A 74 13.013 -4.477 0.401 1.00 1.22 H new ATOM 0 HG23 VAL A 74 13.606 -4.603 2.074 1.00 1.22 H new ATOM 1079 N ALA A 75 9.834 -6.006 -0.112 1.00 63.32 N ATOM 1080 CA ALA A 75 9.071 -5.428 -1.211 1.00 15.13 C ATOM 1081 C ALA A 75 7.771 -4.807 -0.709 1.00 4.11 C ATOM 1082 O ALA A 75 7.396 -3.710 -1.124 1.00 75.50 O ATOM 1083 CB ALA A 75 8.779 -6.485 -2.265 1.00 65.34 C ATOM 0 H ALA A 75 9.820 -7.025 -0.079 1.00 63.32 H new ATOM 0 HA ALA A 75 9.672 -4.638 -1.661 1.00 15.13 H new ATOM 0 HB1 ALA A 75 8.209 -6.039 -3.080 1.00 65.34 H new ATOM 0 HB2 ALA A 75 9.718 -6.881 -2.653 1.00 65.34 H new ATOM 0 HB3 ALA A 75 8.201 -7.294 -1.818 1.00 65.34 H new ATOM 1089 N ARG A 76 7.089 -5.515 0.186 1.00 43.35 N ATOM 1090 CA ARG A 76 5.831 -5.033 0.742 1.00 32.22 C ATOM 1091 C ARG A 76 6.014 -3.669 1.401 1.00 24.20 C ATOM 1092 O ARG A 76 5.303 -2.715 1.086 1.00 52.24 O ATOM 1093 CB ARG A 76 5.283 -6.034 1.761 1.00 22.22 C ATOM 1094 CG ARG A 76 4.482 -7.164 1.135 1.00 23.22 C ATOM 1095 CD ARG A 76 3.257 -6.640 0.404 1.00 15.50 C ATOM 1096 NE ARG A 76 2.259 -7.684 0.188 1.00 63.41 N ATOM 1097 CZ ARG A 76 1.422 -8.107 1.129 1.00 71.05 C ATOM 1098 NH1 ARG A 76 1.461 -7.576 2.343 1.00 64.41 N ATOM 1099 NH2 ARG A 76 0.542 -9.062 0.855 1.00 23.11 N ATOM 0 H ARG A 76 7.387 -6.424 0.541 1.00 43.35 H new ATOM 0 HA ARG A 76 5.118 -4.929 -0.076 1.00 32.22 H new ATOM 0 HB2 ARG A 76 6.114 -6.458 2.324 1.00 22.22 H new ATOM 0 HB3 ARG A 76 4.652 -5.504 2.474 1.00 22.22 H new ATOM 0 HG2 ARG A 76 5.113 -7.717 0.439 1.00 23.22 H new ATOM 0 HG3 ARG A 76 4.172 -7.865 1.910 1.00 23.22 H new ATOM 0 HD2 ARG A 76 2.813 -5.827 0.978 1.00 15.50 H new ATOM 0 HD3 ARG A 76 3.559 -6.223 -0.557 1.00 15.50 H new ATOM 0 HE ARG A 76 2.201 -8.112 -0.736 1.00 63.41 H new ATOM 0 HH11 ARG A 76 2.135 -6.841 2.557 1.00 64.41 H new ATOM 0 HH12 ARG A 76 0.817 -7.903 3.063 1.00 64.41 H new ATOM 0 HH21 ARG A 76 0.508 -9.472 -0.079 1.00 23.11 H new ATOM 0 HH22 ARG A 76 -0.100 -9.386 1.578 1.00 23.11 H new ATOM 1113 N HIS A 77 6.973 -3.585 2.318 1.00 11.21 N ATOM 1114 CA HIS A 77 7.250 -2.338 3.022 1.00 42.53 C ATOM 1115 C HIS A 77 8.059 -1.387 2.144 1.00 55.30 C ATOM 1116 O HIS A 77 9.182 -1.016 2.483 1.00 24.34 O ATOM 1117 CB HIS A 77 8.006 -2.617 4.321 1.00 32.51 C ATOM 1118 CG HIS A 77 7.494 -3.812 5.066 1.00 44.10 C ATOM 1119 ND1 HIS A 77 8.144 -4.732 5.816 1.00 23.20 N flip ATOM 1120 CD2 HIS A 77 6.163 -4.171 5.089 1.00 21.41 C flip ATOM 1121 CE1 HIS A 77 7.203 -5.621 6.275 1.00 61.04 C flip ATOM 1122 NE2 HIS A 77 6.016 -5.260 5.823 1.00 23.20 N flip ATOM 0 H HIS A 77 7.571 -4.365 2.591 1.00 11.21 H new ATOM 0 HA HIS A 77 6.297 -1.865 3.260 1.00 42.53 H new ATOM 0 HB2 HIS A 77 9.061 -2.766 4.093 1.00 32.51 H new ATOM 0 HB3 HIS A 77 7.940 -1.741 4.966 1.00 32.51 H new ATOM 0 HD2 HIS A 77 5.365 -3.645 4.586 1.00 21.41 H new ATOM 0 HE1 HIS A 77 7.402 -6.476 6.904 1.00 61.04 H new ATOM 0 HE2 HIS A 77 5.135 -5.740 6.009 1.00 23.20 H new ATOM 1130 N VAL A 78 7.479 -0.996 1.013 1.00 0.23 N ATOM 1131 CA VAL A 78 8.145 -0.088 0.087 1.00 61.11 C ATOM 1132 C VAL A 78 7.735 1.358 0.343 1.00 34.53 C ATOM 1133 O VAL A 78 7.760 2.191 -0.563 1.00 20.33 O ATOM 1134 CB VAL A 78 7.829 -0.448 -1.377 1.00 33.22 C ATOM 1135 CG1 VAL A 78 6.402 -0.055 -1.727 1.00 73.11 C ATOM 1136 CG2 VAL A 78 8.821 0.221 -2.316 1.00 54.11 C ATOM 0 H VAL A 78 6.550 -1.294 0.716 1.00 0.23 H new ATOM 0 HA VAL A 78 9.217 -0.194 0.257 1.00 61.11 H new ATOM 0 HB VAL A 78 7.923 -1.527 -1.496 1.00 33.22 H new ATOM 0 HG11 VAL A 78 6.197 -0.317 -2.765 1.00 73.11 H new ATOM 0 HG12 VAL A 78 5.708 -0.585 -1.075 1.00 73.11 H new ATOM 0 HG13 VAL A 78 6.277 1.019 -1.592 1.00 73.11 H new ATOM 0 HG21 VAL A 78 8.583 -0.044 -3.346 1.00 54.11 H new ATOM 0 HG22 VAL A 78 8.762 1.303 -2.197 1.00 54.11 H new ATOM 0 HG23 VAL A 78 9.830 -0.115 -2.079 1.00 54.11 H new ATOM 1146 N ARG A 79 7.357 1.648 1.584 1.00 51.52 N ATOM 1147 CA ARG A 79 6.940 2.994 1.960 1.00 70.02 C ATOM 1148 C ARG A 79 8.148 3.913 2.119 1.00 73.15 C ATOM 1149 O ARG A 79 9.281 3.465 2.293 1.00 61.31 O ATOM 1150 CB ARG A 79 6.139 2.957 3.263 1.00 51.34 C ATOM 1151 CG ARG A 79 4.643 2.786 3.053 1.00 1.52 C ATOM 1152 CD ARG A 79 4.026 1.913 4.134 1.00 15.00 C ATOM 1153 NE ARG A 79 3.885 2.627 5.400 1.00 32.34 N ATOM 1154 CZ ARG A 79 3.155 2.182 6.417 1.00 15.42 C ATOM 1155 NH1 ARG A 79 2.503 1.032 6.317 1.00 54.33 N ATOM 1156 NH2 ARG A 79 3.076 2.889 7.538 1.00 73.24 N ATOM 0 H ARG A 79 7.331 0.970 2.345 1.00 51.52 H new ATOM 0 HA ARG A 79 6.308 3.387 1.164 1.00 70.02 H new ATOM 0 HB2 ARG A 79 6.506 2.139 3.882 1.00 51.34 H new ATOM 0 HB3 ARG A 79 6.317 3.880 3.815 1.00 51.34 H new ATOM 0 HG2 ARG A 79 4.160 3.763 3.053 1.00 1.52 H new ATOM 0 HG3 ARG A 79 4.460 2.340 2.075 1.00 1.52 H new ATOM 0 HD2 ARG A 79 3.048 1.564 3.804 1.00 15.00 H new ATOM 0 HD3 ARG A 79 4.646 1.029 4.284 1.00 15.00 H new ATOM 0 HE ARG A 79 4.374 3.516 5.509 1.00 32.34 H new ATOM 0 HH11 ARG A 79 2.561 0.486 5.457 1.00 54.33 H new ATOM 0 HH12 ARG A 79 1.943 0.693 7.100 1.00 54.33 H new ATOM 0 HH21 ARG A 79 3.576 3.774 7.619 1.00 73.24 H new ATOM 0 HH22 ARG A 79 2.515 2.547 8.318 1.00 73.24 H new ATOM 1170 N PRO A 80 7.902 5.230 2.056 1.00 13.04 N ATOM 1171 CA PRO A 80 8.956 6.239 2.191 1.00 41.51 C ATOM 1172 C PRO A 80 9.513 6.311 3.609 1.00 72.03 C ATOM 1173 O PRO A 80 8.812 6.703 4.542 1.00 60.41 O ATOM 1174 CB PRO A 80 8.245 7.546 1.829 1.00 33.32 C ATOM 1175 CG PRO A 80 6.809 7.293 2.136 1.00 20.23 C ATOM 1176 CD PRO A 80 6.575 5.835 1.851 1.00 40.13 C ATOM 0 HA PRO A 80 9.816 6.016 1.559 1.00 41.51 H new ATOM 0 HB2 PRO A 80 8.633 8.382 2.411 1.00 33.32 H new ATOM 0 HB3 PRO A 80 8.387 7.796 0.778 1.00 33.32 H new ATOM 0 HG2 PRO A 80 6.585 7.528 3.177 1.00 20.23 H new ATOM 0 HG3 PRO A 80 6.162 7.919 1.522 1.00 20.23 H new ATOM 0 HD2 PRO A 80 5.831 5.409 2.524 1.00 40.13 H new ATOM 0 HD3 PRO A 80 6.214 5.677 0.835 1.00 40.13 H new ATOM 1184 N SER A 81 10.777 5.931 3.763 1.00 30.50 N ATOM 1185 CA SER A 81 11.427 5.949 5.068 1.00 33.54 C ATOM 1186 C SER A 81 10.754 4.967 6.024 1.00 41.35 C ATOM 1187 O SER A 81 10.150 5.368 7.018 1.00 74.41 O ATOM 1188 CB SER A 81 11.391 7.359 5.660 1.00 43.02 C ATOM 1189 OG SER A 81 12.383 7.518 6.660 1.00 73.31 O ATOM 0 H SER A 81 11.372 5.607 3.000 1.00 30.50 H new ATOM 0 HA SER A 81 12.465 5.645 4.933 1.00 33.54 H new ATOM 0 HB2 SER A 81 11.546 8.093 4.869 1.00 43.02 H new ATOM 0 HB3 SER A 81 10.407 7.553 6.086 1.00 43.02 H new ATOM 0 HG SER A 81 12.340 8.428 7.021 1.00 73.31 H new ATOM 1195 N ALA A 82 10.864 3.680 5.713 1.00 22.34 N ATOM 1196 CA ALA A 82 10.269 2.640 6.544 1.00 2.20 C ATOM 1197 C ALA A 82 11.341 1.855 7.293 1.00 52.22 C ATOM 1198 O ALA A 82 12.120 1.118 6.689 1.00 74.14 O ATOM 1199 CB ALA A 82 9.424 1.704 5.693 1.00 21.20 C ATOM 0 H ALA A 82 11.359 3.332 4.892 1.00 22.34 H new ATOM 0 HA ALA A 82 9.627 3.122 7.282 1.00 2.20 H new ATOM 0 HB1 ALA A 82 8.986 0.932 6.326 1.00 21.20 H new ATOM 0 HB2 ALA A 82 8.629 2.271 5.209 1.00 21.20 H new ATOM 0 HB3 ALA A 82 10.051 1.237 4.933 1.00 21.20 H new ATOM 1205 N SER A 83 11.375 2.019 8.611 1.00 2.14 N ATOM 1206 CA SER A 83 12.355 1.329 9.442 1.00 32.02 C ATOM 1207 C SER A 83 11.849 -0.053 9.844 1.00 12.05 C ATOM 1208 O SER A 83 10.785 -0.184 10.450 1.00 32.14 O ATOM 1209 CB SER A 83 12.667 2.154 10.692 1.00 15.23 C ATOM 1210 OG SER A 83 12.822 3.526 10.372 1.00 32.22 O ATOM 0 H SER A 83 10.736 2.624 9.127 1.00 2.14 H new ATOM 0 HA SER A 83 13.268 1.207 8.859 1.00 32.02 H new ATOM 0 HB2 SER A 83 11.864 2.036 11.420 1.00 15.23 H new ATOM 0 HB3 SER A 83 13.578 1.781 11.160 1.00 15.23 H new ATOM 0 HG SER A 83 13.019 4.032 11.188 1.00 32.22 H new ATOM 1216 N ILE A 84 12.619 -1.081 9.503 1.00 52.52 N ATOM 1217 CA ILE A 84 12.250 -2.452 9.829 1.00 72.53 C ATOM 1218 C ILE A 84 13.355 -3.146 10.618 1.00 32.11 C ATOM 1219 O ILE A 84 14.533 -3.088 10.267 1.00 44.22 O ATOM 1220 CB ILE A 84 11.950 -3.271 8.559 1.00 33.44 C ATOM 1221 CG1 ILE A 84 11.514 -4.690 8.932 1.00 11.14 C ATOM 1222 CG2 ILE A 84 13.170 -3.308 7.652 1.00 40.23 C ATOM 1223 CD1 ILE A 84 11.294 -5.589 7.736 1.00 52.31 C ATOM 0 H ILE A 84 13.502 -0.990 9.001 1.00 52.52 H new ATOM 0 HA ILE A 84 11.349 -2.400 10.440 1.00 72.53 H new ATOM 0 HB ILE A 84 11.134 -2.790 8.019 1.00 33.44 H new ATOM 0 HG12 ILE A 84 12.271 -5.136 9.577 1.00 11.14 H new ATOM 0 HG13 ILE A 84 10.592 -4.638 9.511 1.00 11.14 H new ATOM 0 HG21 ILE A 84 12.942 -3.890 6.759 1.00 40.23 H new ATOM 0 HG22 ILE A 84 13.440 -2.292 7.364 1.00 40.23 H new ATOM 0 HG23 ILE A 84 14.004 -3.768 8.182 1.00 40.23 H new ATOM 0 HD11 ILE A 84 10.987 -6.578 8.076 1.00 52.31 H new ATOM 0 HD12 ILE A 84 10.516 -5.166 7.101 1.00 52.31 H new ATOM 0 HD13 ILE A 84 12.221 -5.672 7.168 1.00 52.31 H new ATOM 1235 N PRO A 85 12.967 -3.821 11.711 1.00 42.13 N ATOM 1236 CA PRO A 85 13.910 -4.541 12.572 1.00 74.42 C ATOM 1237 C PRO A 85 14.486 -5.779 11.892 1.00 3.34 C ATOM 1238 O PRO A 85 13.758 -6.716 11.566 1.00 22.43 O ATOM 1239 CB PRO A 85 13.054 -4.942 13.776 1.00 22.42 C ATOM 1240 CG PRO A 85 11.661 -4.994 13.251 1.00 61.42 C ATOM 1241 CD PRO A 85 11.579 -3.933 12.189 1.00 1.20 C ATOM 0 HA PRO A 85 14.775 -3.930 12.831 1.00 74.42 H new ATOM 0 HB2 PRO A 85 13.362 -5.908 14.177 1.00 22.42 H new ATOM 0 HB3 PRO A 85 13.145 -4.217 14.585 1.00 22.42 H new ATOM 0 HG2 PRO A 85 11.436 -5.977 12.838 1.00 61.42 H new ATOM 0 HG3 PRO A 85 10.938 -4.808 14.045 1.00 61.42 H new ATOM 0 HD2 PRO A 85 10.899 -4.220 11.386 1.00 1.20 H new ATOM 0 HD3 PRO A 85 11.215 -2.988 12.592 1.00 1.20 H new ATOM 1249 N VAL A 86 15.799 -5.775 11.682 1.00 72.12 N ATOM 1250 CA VAL A 86 16.474 -6.898 11.042 1.00 35.43 C ATOM 1251 C VAL A 86 17.704 -7.325 11.836 1.00 55.52 C ATOM 1252 O VAL A 86 18.612 -6.527 12.069 1.00 20.24 O ATOM 1253 CB VAL A 86 16.899 -6.552 9.603 1.00 2.12 C ATOM 1254 CG1 VAL A 86 17.695 -7.695 8.992 1.00 72.03 C ATOM 1255 CG2 VAL A 86 15.682 -6.224 8.752 1.00 14.23 C ATOM 0 H VAL A 86 16.416 -5.007 11.946 1.00 72.12 H new ATOM 0 HA VAL A 86 15.760 -7.721 11.013 1.00 35.43 H new ATOM 0 HB VAL A 86 17.540 -5.671 9.634 1.00 2.12 H new ATOM 0 HG11 VAL A 86 17.987 -7.432 7.975 1.00 72.03 H new ATOM 0 HG12 VAL A 86 18.588 -7.877 9.590 1.00 72.03 H new ATOM 0 HG13 VAL A 86 17.082 -8.596 8.972 1.00 72.03 H new ATOM 0 HG21 VAL A 86 16.001 -5.982 7.738 1.00 14.23 H new ATOM 0 HG22 VAL A 86 15.014 -7.085 8.726 1.00 14.23 H new ATOM 0 HG23 VAL A 86 15.158 -5.370 9.181 1.00 14.23 H new ATOM 1265 N VAL A 87 17.727 -8.588 12.248 1.00 34.11 N ATOM 1266 CA VAL A 87 18.846 -9.122 13.014 1.00 1.15 C ATOM 1267 C VAL A 87 19.926 -9.679 12.094 1.00 22.11 C ATOM 1268 O VAL A 87 19.678 -10.598 11.313 1.00 22.13 O ATOM 1269 CB VAL A 87 18.387 -10.231 13.980 1.00 44.02 C ATOM 1270 CG1 VAL A 87 19.582 -10.851 14.688 1.00 45.03 C ATOM 1271 CG2 VAL A 87 17.388 -9.681 14.986 1.00 73.11 C ATOM 0 H VAL A 87 16.983 -9.261 12.064 1.00 34.11 H new ATOM 0 HA VAL A 87 19.257 -8.294 13.592 1.00 1.15 H new ATOM 0 HB VAL A 87 17.893 -11.011 13.401 1.00 44.02 H new ATOM 0 HG11 VAL A 87 19.238 -11.632 15.366 1.00 45.03 H new ATOM 0 HG12 VAL A 87 20.258 -11.283 13.950 1.00 45.03 H new ATOM 0 HG13 VAL A 87 20.107 -10.083 15.256 1.00 45.03 H new ATOM 0 HG21 VAL A 87 17.074 -10.478 15.660 1.00 73.11 H new ATOM 0 HG22 VAL A 87 17.854 -8.881 15.561 1.00 73.11 H new ATOM 0 HG23 VAL A 87 16.518 -9.289 14.458 1.00 73.11 H new ATOM 1281 N PHE A 88 21.126 -9.117 12.191 1.00 4.03 N ATOM 1282 CA PHE A 88 22.246 -9.557 11.367 1.00 71.11 C ATOM 1283 C PHE A 88 23.293 -10.278 12.211 1.00 12.23 C ATOM 1284 O PHE A 88 23.501 -9.945 13.378 1.00 62.10 O ATOM 1285 CB PHE A 88 22.883 -8.362 10.655 1.00 61.34 C ATOM 1286 CG PHE A 88 23.655 -7.459 11.573 1.00 12.42 C ATOM 1287 CD1 PHE A 88 22.996 -6.572 12.409 1.00 15.12 C ATOM 1288 CD2 PHE A 88 25.040 -7.495 11.600 1.00 34.53 C ATOM 1289 CE1 PHE A 88 23.703 -5.739 13.256 1.00 34.21 C ATOM 1290 CE2 PHE A 88 25.752 -6.666 12.445 1.00 10.43 C ATOM 1291 CZ PHE A 88 25.083 -5.786 13.273 1.00 12.52 C ATOM 0 H PHE A 88 21.348 -8.356 12.832 1.00 4.03 H new ATOM 0 HA PHE A 88 21.864 -10.254 10.621 1.00 71.11 H new ATOM 0 HB2 PHE A 88 23.549 -8.728 9.874 1.00 61.34 H new ATOM 0 HB3 PHE A 88 22.101 -7.784 10.163 1.00 61.34 H new ATOM 0 HD1 PHE A 88 21.917 -6.531 12.399 1.00 15.12 H new ATOM 0 HD2 PHE A 88 25.569 -8.179 10.953 1.00 34.53 H new ATOM 0 HE1 PHE A 88 23.177 -5.053 13.903 1.00 34.21 H new ATOM 0 HE2 PHE A 88 26.831 -6.706 12.458 1.00 10.43 H new ATOM 0 HZ PHE A 88 25.638 -5.136 13.933 1.00 12.52 H new ATOM 1301 N SER A 89 23.948 -11.267 11.613 1.00 62.22 N ATOM 1302 CA SER A 89 24.971 -12.039 12.310 1.00 14.40 C ATOM 1303 C SER A 89 26.185 -12.264 11.415 1.00 25.31 C ATOM 1304 O SER A 89 26.057 -12.723 10.280 1.00 62.11 O ATOM 1305 CB SER A 89 24.402 -13.384 12.766 1.00 1.32 C ATOM 1306 OG SER A 89 24.160 -13.388 14.162 1.00 1.04 O ATOM 0 H SER A 89 23.789 -11.553 10.647 1.00 62.22 H new ATOM 0 HA SER A 89 25.287 -11.471 13.185 1.00 14.40 H new ATOM 0 HB2 SER A 89 23.474 -13.590 12.232 1.00 1.32 H new ATOM 0 HB3 SER A 89 25.099 -14.182 12.512 1.00 1.32 H new ATOM 0 HG SER A 89 24.910 -12.959 14.625 1.00 1.04 H new ATOM 1312 N ARG A 90 27.364 -11.938 11.935 1.00 22.21 N ATOM 1313 CA ARG A 90 28.603 -12.104 11.184 1.00 53.40 C ATOM 1314 C ARG A 90 29.367 -13.336 11.659 1.00 35.15 C ATOM 1315 O ARG A 90 30.434 -13.223 12.262 1.00 44.24 O ATOM 1316 CB ARG A 90 29.481 -10.859 11.327 1.00 21.42 C ATOM 1317 CG ARG A 90 30.614 -10.794 10.316 1.00 53.43 C ATOM 1318 CD ARG A 90 31.754 -9.918 10.812 1.00 54.02 C ATOM 1319 NE ARG A 90 32.649 -9.520 9.729 1.00 2.11 N ATOM 1320 CZ ARG A 90 33.589 -10.311 9.224 1.00 31.41 C ATOM 1321 NH1 ARG A 90 33.755 -11.537 9.701 1.00 34.33 N ATOM 1322 NH2 ARG A 90 34.365 -9.877 8.239 1.00 30.23 N ATOM 0 H ARG A 90 27.487 -11.557 12.873 1.00 22.21 H new ATOM 0 HA ARG A 90 28.346 -12.241 10.134 1.00 53.40 H new ATOM 0 HB2 ARG A 90 28.858 -9.971 11.220 1.00 21.42 H new ATOM 0 HB3 ARG A 90 29.901 -10.834 12.333 1.00 21.42 H new ATOM 0 HG2 ARG A 90 30.986 -11.800 10.119 1.00 53.43 H new ATOM 0 HG3 ARG A 90 30.238 -10.403 9.371 1.00 53.43 H new ATOM 0 HD2 ARG A 90 31.346 -9.028 11.290 1.00 54.02 H new ATOM 0 HD3 ARG A 90 32.321 -10.456 11.572 1.00 54.02 H new ATOM 0 HE ARG A 90 32.547 -8.583 9.339 1.00 2.11 H new ATOM 0 HH11 ARG A 90 33.160 -11.875 10.458 1.00 34.33 H new ATOM 0 HH12 ARG A 90 34.478 -12.142 9.311 1.00 34.33 H new ATOM 0 HH21 ARG A 90 34.240 -8.935 7.869 1.00 30.23 H new ATOM 0 HH22 ARG A 90 35.086 -10.486 7.852 1.00 30.23 H new ATOM 1336 N ASP A 91 28.812 -14.512 11.385 1.00 13.54 N ATOM 1337 CA ASP A 91 29.440 -15.765 11.784 1.00 25.45 C ATOM 1338 C ASP A 91 29.864 -15.719 13.249 1.00 4.32 C ATOM 1339 O ASP A 91 31.007 -15.390 13.565 1.00 0.21 O ATOM 1340 CB ASP A 91 30.653 -16.057 10.899 1.00 72.22 C ATOM 1341 CG ASP A 91 30.500 -15.488 9.502 1.00 32.10 C ATOM 1342 OD1 ASP A 91 30.833 -14.301 9.306 1.00 63.03 O ATOM 1343 OD2 ASP A 91 30.046 -16.230 8.605 1.00 14.43 O ATOM 0 H ASP A 91 27.928 -14.623 10.888 1.00 13.54 H new ATOM 0 HA ASP A 91 28.709 -16.564 11.661 1.00 25.45 H new ATOM 0 HB2 ASP A 91 31.547 -15.639 11.363 1.00 72.22 H new ATOM 0 HB3 ASP A 91 30.802 -17.135 10.835 1.00 72.22 H new ATOM 1348 N GLY A 92 28.934 -16.049 14.140 1.00 25.42 N ATOM 1349 CA GLY A 92 29.231 -16.037 15.561 1.00 73.42 C ATOM 1350 C GLY A 92 28.874 -14.718 16.216 1.00 22.04 C ATOM 1351 O GLY A 92 28.563 -14.672 17.407 1.00 41.24 O ATOM 0 H GLY A 92 27.981 -16.324 13.904 1.00 25.42 H new ATOM 0 HA2 GLY A 92 28.683 -16.842 16.050 1.00 73.42 H new ATOM 0 HA3 GLY A 92 30.292 -16.237 15.709 1.00 73.42 H new ATOM 1355 N VAL A 93 28.921 -13.641 15.439 1.00 54.13 N ATOM 1356 CA VAL A 93 28.600 -12.314 15.951 1.00 45.11 C ATOM 1357 C VAL A 93 27.093 -12.098 16.013 1.00 14.11 C ATOM 1358 O VAL A 93 26.390 -12.257 15.015 1.00 71.31 O ATOM 1359 CB VAL A 93 29.231 -11.210 15.081 1.00 12.35 C ATOM 1360 CG1 VAL A 93 28.829 -9.834 15.591 1.00 22.03 C ATOM 1361 CG2 VAL A 93 30.745 -11.355 15.051 1.00 33.12 C ATOM 0 H VAL A 93 29.178 -13.661 14.452 1.00 54.13 H new ATOM 0 HA VAL A 93 29.013 -12.254 16.958 1.00 45.11 H new ATOM 0 HB VAL A 93 28.859 -11.317 14.062 1.00 12.35 H new ATOM 0 HG11 VAL A 93 29.284 -9.067 14.965 1.00 22.03 H new ATOM 0 HG12 VAL A 93 27.744 -9.735 15.555 1.00 22.03 H new ATOM 0 HG13 VAL A 93 29.171 -9.713 16.619 1.00 22.03 H new ATOM 0 HG21 VAL A 93 31.174 -10.567 14.432 1.00 33.12 H new ATOM 0 HG22 VAL A 93 31.138 -11.275 16.064 1.00 33.12 H new ATOM 0 HG23 VAL A 93 31.009 -12.327 14.635 1.00 33.12 H new ATOM 1371 N VAL A 94 26.601 -11.733 17.193 1.00 73.30 N ATOM 1372 CA VAL A 94 25.176 -11.493 17.386 1.00 34.40 C ATOM 1373 C VAL A 94 24.903 -10.027 17.703 1.00 22.31 C ATOM 1374 O VAL A 94 25.294 -9.527 18.757 1.00 0.22 O ATOM 1375 CB VAL A 94 24.608 -12.367 18.521 1.00 40.33 C ATOM 1376 CG1 VAL A 94 25.420 -12.183 19.794 1.00 43.25 C ATOM 1377 CG2 VAL A 94 23.142 -12.039 18.762 1.00 61.41 C ATOM 0 H VAL A 94 27.169 -11.597 18.030 1.00 73.30 H new ATOM 0 HA VAL A 94 24.681 -11.758 16.451 1.00 34.40 H new ATOM 0 HB VAL A 94 24.679 -13.413 18.222 1.00 40.33 H new ATOM 0 HG11 VAL A 94 25.004 -12.808 20.584 1.00 43.25 H new ATOM 0 HG12 VAL A 94 26.455 -12.471 19.610 1.00 43.25 H new ATOM 0 HG13 VAL A 94 25.384 -11.138 20.101 1.00 43.25 H new ATOM 0 HG21 VAL A 94 22.757 -12.665 19.567 1.00 61.41 H new ATOM 0 HG22 VAL A 94 23.045 -10.990 19.041 1.00 61.41 H new ATOM 0 HG23 VAL A 94 22.573 -12.227 17.852 1.00 61.41 H new ATOM 1387 N MET A 95 24.230 -9.344 16.783 1.00 14.04 N ATOM 1388 CA MET A 95 23.903 -7.934 16.966 1.00 21.51 C ATOM 1389 C MET A 95 22.625 -7.571 16.218 1.00 75.24 C ATOM 1390 O MET A 95 22.287 -8.192 15.209 1.00 12.55 O ATOM 1391 CB MET A 95 25.058 -7.055 16.483 1.00 11.35 C ATOM 1392 CG MET A 95 24.824 -5.569 16.705 1.00 74.14 C ATOM 1393 SD MET A 95 24.642 -5.147 18.448 1.00 54.40 S ATOM 1394 CE MET A 95 26.328 -5.336 19.020 1.00 22.22 C ATOM 0 H MET A 95 23.901 -9.743 15.904 1.00 14.04 H new ATOM 0 HA MET A 95 23.742 -7.759 18.030 1.00 21.51 H new ATOM 0 HB2 MET A 95 25.971 -7.352 17.000 1.00 11.35 H new ATOM 0 HB3 MET A 95 25.221 -7.234 15.420 1.00 11.35 H new ATOM 0 HG2 MET A 95 25.658 -5.007 16.284 1.00 74.14 H new ATOM 0 HG3 MET A 95 23.928 -5.262 16.165 1.00 74.14 H new ATOM 0 HE1 MET A 95 26.419 -4.925 20.025 1.00 22.22 H new ATOM 0 HE2 MET A 95 26.591 -6.394 19.035 1.00 22.22 H new ATOM 0 HE3 MET A 95 27.002 -4.804 18.348 1.00 22.22 H new ATOM 1404 N SER A 96 21.917 -6.563 16.718 1.00 44.02 N ATOM 1405 CA SER A 96 20.674 -6.120 16.098 1.00 33.24 C ATOM 1406 C SER A 96 20.834 -4.729 15.493 1.00 74.12 C ATOM 1407 O SER A 96 21.340 -3.813 16.140 1.00 62.02 O ATOM 1408 CB SER A 96 19.541 -6.114 17.127 1.00 60.03 C ATOM 1409 OG SER A 96 18.395 -6.782 16.628 1.00 65.43 O ATOM 0 H SER A 96 22.183 -6.038 17.551 1.00 44.02 H new ATOM 0 HA SER A 96 20.426 -6.818 15.298 1.00 33.24 H new ATOM 0 HB2 SER A 96 19.877 -6.597 18.045 1.00 60.03 H new ATOM 0 HB3 SER A 96 19.284 -5.086 17.383 1.00 60.03 H new ATOM 0 HG SER A 96 17.686 -6.766 17.305 1.00 65.43 H new ATOM 1415 N ALA A 97 20.398 -4.580 14.246 1.00 14.42 N ATOM 1416 CA ALA A 97 20.490 -3.301 13.553 1.00 51.22 C ATOM 1417 C ALA A 97 19.248 -3.045 12.706 1.00 11.50 C ATOM 1418 O ALA A 97 18.715 -3.957 12.074 1.00 32.30 O ATOM 1419 CB ALA A 97 21.740 -3.259 12.686 1.00 32.41 C ATOM 0 H ALA A 97 19.978 -5.329 13.696 1.00 14.42 H new ATOM 0 HA ALA A 97 20.555 -2.513 14.303 1.00 51.22 H new ATOM 0 HB1 ALA A 97 21.796 -2.298 12.174 1.00 32.41 H new ATOM 0 HB2 ALA A 97 22.622 -3.388 13.313 1.00 32.41 H new ATOM 0 HB3 ALA A 97 21.699 -4.061 11.949 1.00 32.41 H new ATOM 1425 N THR A 98 18.790 -1.796 12.698 1.00 60.43 N ATOM 1426 CA THR A 98 17.610 -1.421 11.930 1.00 15.52 C ATOM 1427 C THR A 98 17.994 -0.893 10.553 1.00 63.44 C ATOM 1428 O THR A 98 18.728 0.089 10.436 1.00 34.13 O ATOM 1429 CB THR A 98 16.780 -0.350 12.664 1.00 50.23 C ATOM 1430 OG1 THR A 98 15.685 0.069 11.842 1.00 12.40 O ATOM 1431 CG2 THR A 98 17.642 0.852 13.021 1.00 72.14 C ATOM 0 H THR A 98 19.219 -1.028 13.215 1.00 60.43 H new ATOM 0 HA THR A 98 17.008 -2.323 11.815 1.00 15.52 H new ATOM 0 HB THR A 98 16.396 -0.788 13.585 1.00 50.23 H new ATOM 0 HG1 THR A 98 15.161 0.748 12.316 1.00 12.40 H new ATOM 0 HG21 THR A 98 17.034 1.595 13.538 1.00 72.14 H new ATOM 0 HG22 THR A 98 18.458 0.535 13.670 1.00 72.14 H new ATOM 0 HG23 THR A 98 18.052 1.289 12.110 1.00 72.14 H new ATOM 1439 N ILE A 99 17.495 -1.551 9.512 1.00 72.32 N ATOM 1440 CA ILE A 99 17.786 -1.147 8.142 1.00 55.20 C ATOM 1441 C ILE A 99 16.738 -0.166 7.624 1.00 25.43 C ATOM 1442 O ILE A 99 15.539 -0.440 7.672 1.00 41.05 O ATOM 1443 CB ILE A 99 17.847 -2.362 7.197 1.00 14.52 C ATOM 1444 CG1 ILE A 99 16.535 -3.148 7.257 1.00 65.01 C ATOM 1445 CG2 ILE A 99 19.024 -3.255 7.559 1.00 74.12 C ATOM 1446 CD1 ILE A 99 15.827 -3.244 5.924 1.00 50.31 C ATOM 0 H ILE A 99 16.887 -2.366 9.591 1.00 72.32 H new ATOM 0 HA ILE A 99 18.761 -0.660 8.157 1.00 55.20 H new ATOM 0 HB ILE A 99 17.988 -2.005 6.177 1.00 14.52 H new ATOM 0 HG12 ILE A 99 16.740 -4.154 7.624 1.00 65.01 H new ATOM 0 HG13 ILE A 99 15.870 -2.675 7.979 1.00 65.01 H new ATOM 0 HG21 ILE A 99 19.054 -4.109 6.883 1.00 74.12 H new ATOM 0 HG22 ILE A 99 19.951 -2.689 7.470 1.00 74.12 H new ATOM 0 HG23 ILE A 99 18.911 -3.608 8.584 1.00 74.12 H new ATOM 0 HD11 ILE A 99 14.906 -3.814 6.042 1.00 50.31 H new ATOM 0 HD12 ILE A 99 15.591 -2.242 5.565 1.00 50.31 H new ATOM 0 HD13 ILE A 99 16.474 -3.745 5.204 1.00 50.31 H new ATOM 1458 N VAL A 100 17.200 0.977 7.128 1.00 4.13 N ATOM 1459 CA VAL A 100 16.304 1.998 6.598 1.00 24.14 C ATOM 1460 C VAL A 100 16.127 1.845 5.092 1.00 34.30 C ATOM 1461 O VAL A 100 17.041 2.125 4.316 1.00 33.14 O ATOM 1462 CB VAL A 100 16.826 3.415 6.901 1.00 24.02 C ATOM 1463 CG1 VAL A 100 16.670 3.737 8.380 1.00 43.14 C ATOM 1464 CG2 VAL A 100 18.278 3.551 6.468 1.00 42.42 C ATOM 0 H VAL A 100 18.190 1.219 7.082 1.00 4.13 H new ATOM 0 HA VAL A 100 15.341 1.861 7.090 1.00 24.14 H new ATOM 0 HB VAL A 100 16.232 4.131 6.333 1.00 24.02 H new ATOM 0 HG11 VAL A 100 17.044 4.742 8.575 1.00 43.14 H new ATOM 0 HG12 VAL A 100 15.617 3.682 8.655 1.00 43.14 H new ATOM 0 HG13 VAL A 100 17.237 3.018 8.971 1.00 43.14 H new ATOM 0 HG21 VAL A 100 18.631 4.558 6.689 1.00 42.42 H new ATOM 0 HG22 VAL A 100 18.888 2.826 7.007 1.00 42.42 H new ATOM 0 HG23 VAL A 100 18.357 3.366 5.397 1.00 42.42 H new ATOM 1474 N VAL A 101 14.943 1.398 4.684 1.00 51.44 N ATOM 1475 CA VAL A 101 14.644 1.209 3.269 1.00 13.23 C ATOM 1476 C VAL A 101 13.997 2.454 2.673 1.00 1.40 C ATOM 1477 O VAL A 101 12.868 2.804 3.013 1.00 33.23 O ATOM 1478 CB VAL A 101 13.710 0.004 3.049 1.00 1.04 C ATOM 1479 CG1 VAL A 101 13.555 -0.288 1.565 1.00 43.13 C ATOM 1480 CG2 VAL A 101 14.234 -1.217 3.790 1.00 61.34 C ATOM 0 H VAL A 101 14.176 1.160 5.313 1.00 51.44 H new ATOM 0 HA VAL A 101 15.593 1.020 2.767 1.00 13.23 H new ATOM 0 HB VAL A 101 12.727 0.250 3.450 1.00 1.04 H new ATOM 0 HG11 VAL A 101 12.892 -1.142 1.430 1.00 43.13 H new ATOM 0 HG12 VAL A 101 13.131 0.583 1.065 1.00 43.13 H new ATOM 0 HG13 VAL A 101 14.531 -0.514 1.135 1.00 43.13 H new ATOM 0 HG21 VAL A 101 13.562 -2.059 3.624 1.00 61.34 H new ATOM 0 HG22 VAL A 101 15.228 -1.468 3.421 1.00 61.34 H new ATOM 0 HG23 VAL A 101 14.287 -1.000 4.857 1.00 61.34 H new ATOM 1490 N GLY A 102 14.722 3.121 1.780 1.00 40.14 N ATOM 1491 CA GLY A 102 14.203 4.321 1.149 1.00 33.33 C ATOM 1492 C GLY A 102 14.277 4.259 -0.363 1.00 54.15 C ATOM 1493 O GLY A 102 15.353 4.078 -0.931 1.00 41.12 O ATOM 0 H GLY A 102 15.660 2.852 1.482 1.00 40.14 H new ATOM 0 HA2 GLY A 102 13.167 4.469 1.453 1.00 33.33 H new ATOM 0 HA3 GLY A 102 14.765 5.186 1.502 1.00 33.33 H new ATOM 1497 N GLU A 103 13.129 4.409 -1.017 1.00 73.42 N ATOM 1498 CA GLU A 103 13.069 4.366 -2.474 1.00 13.35 C ATOM 1499 C GLU A 103 13.156 5.771 -3.063 1.00 10.23 C ATOM 1500 O GLU A 103 13.492 5.946 -4.235 1.00 30.51 O ATOM 1501 CB GLU A 103 11.777 3.688 -2.933 1.00 74.14 C ATOM 1502 CG GLU A 103 11.439 2.429 -2.153 1.00 21.32 C ATOM 1503 CD GLU A 103 10.665 2.720 -0.882 1.00 2.12 C ATOM 1504 OE1 GLU A 103 9.981 3.764 -0.831 1.00 31.32 O ATOM 1505 OE2 GLU A 103 10.744 1.906 0.061 1.00 33.43 O ATOM 0 H GLU A 103 12.229 4.561 -0.562 1.00 73.42 H new ATOM 0 HA GLU A 103 13.921 3.787 -2.831 1.00 13.35 H new ATOM 0 HB2 GLU A 103 10.953 4.395 -2.840 1.00 74.14 H new ATOM 0 HB3 GLU A 103 11.864 3.438 -3.990 1.00 74.14 H new ATOM 0 HG2 GLU A 103 10.854 1.761 -2.785 1.00 21.32 H new ATOM 0 HG3 GLU A 103 12.360 1.904 -1.901 1.00 21.32 H new ATOM 1512 N LEU A 104 12.851 6.770 -2.242 1.00 53.31 N ATOM 1513 CA LEU A 104 12.894 8.161 -2.681 1.00 34.03 C ATOM 1514 C LEU A 104 13.252 9.086 -1.522 1.00 53.43 C ATOM 1515 O LEU A 104 12.927 8.806 -0.369 1.00 52.30 O ATOM 1516 CB LEU A 104 11.546 8.570 -3.277 1.00 71.05 C ATOM 1517 CG LEU A 104 10.350 8.530 -2.325 1.00 4.51 C ATOM 1518 CD1 LEU A 104 9.253 9.466 -2.807 1.00 54.10 C ATOM 1519 CD2 LEU A 104 9.822 7.110 -2.191 1.00 20.32 C ATOM 0 H LEU A 104 12.571 6.643 -1.269 1.00 53.31 H new ATOM 0 HA LEU A 104 13.665 8.252 -3.446 1.00 34.03 H new ATOM 0 HB2 LEU A 104 11.638 9.582 -3.670 1.00 71.05 H new ATOM 0 HB3 LEU A 104 11.333 7.917 -4.123 1.00 71.05 H new ATOM 0 HG LEU A 104 10.681 8.867 -1.342 1.00 4.51 H new ATOM 0 HD11 LEU A 104 8.410 9.424 -2.117 1.00 54.10 H new ATOM 0 HD12 LEU A 104 9.637 10.485 -2.849 1.00 54.10 H new ATOM 0 HD13 LEU A 104 8.924 9.160 -3.800 1.00 54.10 H new ATOM 0 HD21 LEU A 104 8.971 7.101 -1.510 1.00 20.32 H new ATOM 0 HD22 LEU A 104 9.508 6.745 -3.169 1.00 20.32 H new ATOM 0 HD23 LEU A 104 10.608 6.465 -1.798 1.00 20.32 H new ATOM 1531 N GLU A 105 13.921 10.191 -1.839 1.00 31.43 N ATOM 1532 CA GLU A 105 14.321 11.158 -0.823 1.00 63.25 C ATOM 1533 C GLU A 105 13.680 12.518 -1.085 1.00 23.32 C ATOM 1534 O GLU A 105 14.202 13.551 -0.668 1.00 21.04 O ATOM 1535 CB GLU A 105 15.845 11.297 -0.793 1.00 13.23 C ATOM 1536 CG GLU A 105 16.451 11.653 -2.140 1.00 33.30 C ATOM 1537 CD GLU A 105 17.963 11.757 -2.090 1.00 54.13 C ATOM 1538 OE1 GLU A 105 18.491 12.229 -1.062 1.00 14.53 O ATOM 1539 OE2 GLU A 105 18.618 11.367 -3.079 1.00 53.02 O ATOM 0 H GLU A 105 14.197 10.438 -2.789 1.00 31.43 H new ATOM 0 HA GLU A 105 13.977 10.794 0.145 1.00 63.25 H new ATOM 0 HB2 GLU A 105 16.117 12.064 -0.068 1.00 13.23 H new ATOM 0 HB3 GLU A 105 16.280 10.360 -0.445 1.00 13.23 H new ATOM 0 HG2 GLU A 105 16.166 10.898 -2.873 1.00 33.30 H new ATOM 0 HG3 GLU A 105 16.036 12.601 -2.482 1.00 33.30 H new TER 1546 GLU A 105