USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 75 TYR OH : rot -47:sc= -0.469 USER MOD Set 1.2: A 79 HIS : no HE2:sc= -0.575 K(o=-1,f=-2) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.056 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0119 F(o=-0.77,f=-0.012) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.14) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.53 K(o=-2.5,f=-7.2!) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0229 (180deg=-0.29) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -50:sc= 0.991 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -150:sc= -2.64! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 70 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.0015) USER MOD Single : A 77 ASN :FLIP amide:sc= -2.07 F(o=-2.7!,f=-2.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.315 K(o=-0.32,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.392 1.565 0.410 1.00 60.24 N ATOM 2 CA GLY A 1 1.129 1.249 -0.800 1.00 22.11 C ATOM 3 C GLY A 1 2.323 2.160 -1.006 1.00 54.42 C ATOM 4 O GLY A 1 2.377 3.258 -0.451 1.00 55.44 O ATOM 0 H1 GLY A 1 0.516 0.798 1.102 1.00 60.24 H new ATOM 0 H2 GLY A 1 0.750 2.455 0.812 1.00 60.24 H new ATOM 0 H3 GLY A 1 -0.618 1.668 0.184 1.00 60.24 H new ATOM 0 HA2 GLY A 1 1.469 0.214 -0.755 1.00 22.11 H new ATOM 0 HA3 GLY A 1 0.463 1.329 -1.659 1.00 22.11 H new ATOM 8 N ILE A 2 3.282 1.705 -1.805 1.00 20.45 N ATOM 9 CA ILE A 2 4.480 2.487 -2.082 1.00 23.14 C ATOM 10 C ILE A 2 4.437 3.080 -3.486 1.00 21.12 C ATOM 11 O ILE A 2 4.126 2.400 -4.464 1.00 44.33 O ATOM 12 CB ILE A 2 5.755 1.635 -1.935 1.00 41.22 C ATOM 13 CG1 ILE A 2 5.824 1.017 -0.537 1.00 41.50 C ATOM 14 CG2 ILE A 2 6.991 2.480 -2.209 1.00 34.43 C ATOM 15 CD1 ILE A 2 5.171 -0.344 -0.445 1.00 65.00 C ATOM 0 H ILE A 2 3.253 0.799 -2.272 1.00 20.45 H new ATOM 0 HA ILE A 2 4.506 3.294 -1.350 1.00 23.14 H new ATOM 0 HB ILE A 2 5.721 0.828 -2.667 1.00 41.22 H new ATOM 0 HG12 ILE A 2 6.869 0.931 -0.238 1.00 41.50 H new ATOM 0 HG13 ILE A 2 5.344 1.690 0.173 1.00 41.50 H new ATOM 0 HG21 ILE A 2 7.884 1.864 -2.101 1.00 34.43 H new ATOM 0 HG22 ILE A 2 6.943 2.876 -3.223 1.00 34.43 H new ATOM 0 HG23 ILE A 2 7.032 3.306 -1.499 1.00 34.43 H new ATOM 0 HD11 ILE A 2 5.258 -0.721 0.574 1.00 65.00 H new ATOM 0 HD12 ILE A 2 4.118 -0.261 -0.713 1.00 65.00 H new ATOM 0 HD13 ILE A 2 5.666 -1.032 -1.130 1.00 65.00 H new ATOM 27 N PRO A 3 4.758 4.378 -3.590 1.00 51.10 N ATOM 28 CA PRO A 3 4.766 5.091 -4.871 1.00 14.33 C ATOM 29 C PRO A 3 5.902 4.637 -5.781 1.00 32.35 C ATOM 30 O PRO A 3 6.759 3.851 -5.375 1.00 70.40 O ATOM 31 CB PRO A 3 4.961 6.553 -4.461 1.00 53.34 C ATOM 32 CG PRO A 3 5.653 6.489 -3.144 1.00 65.31 C ATOM 33 CD PRO A 3 5.138 5.250 -2.466 1.00 23.44 C ATOM 0 HA PRO A 3 3.856 4.912 -5.443 1.00 14.33 H new ATOM 0 HB2 PRO A 3 5.558 7.094 -5.196 1.00 53.34 H new ATOM 0 HB3 PRO A 3 4.006 7.072 -4.381 1.00 53.34 H new ATOM 0 HG2 PRO A 3 6.734 6.442 -3.273 1.00 65.31 H new ATOM 0 HG3 PRO A 3 5.441 7.377 -2.548 1.00 65.31 H new ATOM 0 HD2 PRO A 3 5.901 4.788 -1.840 1.00 23.44 H new ATOM 0 HD3 PRO A 3 4.286 5.469 -1.822 1.00 23.44 H new ATOM 41 N LEU A 4 5.903 5.136 -7.012 1.00 23.24 N ATOM 42 CA LEU A 4 6.935 4.781 -7.980 1.00 4.23 C ATOM 43 C LEU A 4 8.047 5.825 -7.997 1.00 44.21 C ATOM 44 O LEU A 4 8.729 6.004 -9.006 1.00 61.44 O ATOM 45 CB LEU A 4 6.327 4.644 -9.376 1.00 52.34 C ATOM 46 CG LEU A 4 4.857 4.225 -9.430 1.00 64.22 C ATOM 47 CD1 LEU A 4 4.341 4.270 -10.860 1.00 64.20 C ATOM 48 CD2 LEU A 4 4.678 2.834 -8.840 1.00 31.31 C ATOM 0 H LEU A 4 5.201 5.787 -7.363 1.00 23.24 H new ATOM 0 HA LEU A 4 7.364 3.824 -7.682 1.00 4.23 H new ATOM 0 HB2 LEU A 4 6.431 5.599 -9.891 1.00 52.34 H new ATOM 0 HB3 LEU A 4 6.913 3.915 -9.936 1.00 52.34 H new ATOM 0 HG LEU A 4 4.276 4.929 -8.834 1.00 64.22 H new ATOM 0 HD11 LEU A 4 3.294 3.969 -10.879 1.00 64.20 H new ATOM 0 HD12 LEU A 4 4.434 5.284 -11.249 1.00 64.20 H new ATOM 0 HD13 LEU A 4 4.925 3.589 -11.479 1.00 64.20 H new ATOM 0 HD21 LEU A 4 3.626 2.552 -8.886 1.00 31.31 H new ATOM 0 HD22 LEU A 4 5.271 2.118 -9.409 1.00 31.31 H new ATOM 0 HD23 LEU A 4 5.008 2.834 -7.801 1.00 31.31 H new ATOM 60 N SER A 5 8.226 6.511 -6.873 1.00 31.14 N ATOM 61 CA SER A 5 9.254 7.538 -6.759 1.00 4.40 C ATOM 62 C SER A 5 10.305 7.143 -5.726 1.00 1.43 C ATOM 63 O SER A 5 11.425 7.652 -5.738 1.00 0.34 O ATOM 64 CB SER A 5 8.625 8.879 -6.376 1.00 43.54 C ATOM 65 OG SER A 5 9.620 9.863 -6.149 1.00 31.10 O ATOM 0 H SER A 5 7.672 6.374 -6.028 1.00 31.14 H new ATOM 0 HA SER A 5 9.742 7.637 -7.729 1.00 4.40 H new ATOM 0 HB2 SER A 5 7.956 9.210 -7.170 1.00 43.54 H new ATOM 0 HB3 SER A 5 8.019 8.757 -5.479 1.00 43.54 H new ATOM 0 HG SER A 5 9.192 10.711 -5.907 1.00 31.10 H new ATOM 71 N ASN A 6 9.934 6.232 -4.832 1.00 60.04 N ATOM 72 CA ASN A 6 10.843 5.768 -3.791 1.00 4.02 C ATOM 73 C ASN A 6 11.610 4.531 -4.249 1.00 51.24 C ATOM 74 O ASN A 6 12.804 4.395 -3.983 1.00 64.11 O ATOM 75 CB ASN A 6 10.068 5.455 -2.510 1.00 14.23 C ATOM 76 CG ASN A 6 10.973 5.340 -1.299 1.00 4.42 C ATOM 77 OD1 ASN A 6 11.694 4.229 -1.202 1.00 32.54 O flip ATOM 78 ND2 ASN A 6 11.025 6.241 -0.461 1.00 74.12 N flip ATOM 0 H ASN A 6 9.010 5.801 -4.808 1.00 60.04 H new ATOM 0 HA ASN A 6 11.560 6.564 -3.589 1.00 4.02 H new ATOM 0 HB2 ASN A 6 9.330 6.238 -2.335 1.00 14.23 H new ATOM 0 HB3 ASN A 6 9.519 4.522 -2.640 1.00 14.23 H new ATOM 0 HD21 ASN A 6 10.453 7.078 -0.576 1.00 74.12 H new ATOM 0 HD22 ASN A 6 11.640 6.150 0.348 1.00 74.12 H new ATOM 85 N ILE A 7 10.915 3.633 -4.940 1.00 10.52 N ATOM 86 CA ILE A 7 11.531 2.409 -5.437 1.00 15.23 C ATOM 87 C ILE A 7 12.654 2.719 -6.421 1.00 34.23 C ATOM 88 O ILE A 7 13.703 2.076 -6.402 1.00 12.25 O ATOM 89 CB ILE A 7 10.497 1.499 -6.125 1.00 73.50 C ATOM 90 CG1 ILE A 7 9.510 0.942 -5.096 1.00 40.05 C ATOM 91 CG2 ILE A 7 11.196 0.367 -6.863 1.00 31.53 C ATOM 92 CD1 ILE A 7 8.391 0.130 -5.710 1.00 63.23 C ATOM 0 H ILE A 7 9.926 3.730 -5.168 1.00 10.52 H new ATOM 0 HA ILE A 7 11.943 1.889 -4.572 1.00 15.23 H new ATOM 0 HB ILE A 7 9.940 2.091 -6.851 1.00 73.50 H new ATOM 0 HG12 ILE A 7 10.052 0.319 -4.385 1.00 40.05 H new ATOM 0 HG13 ILE A 7 9.080 1.770 -4.532 1.00 40.05 H new ATOM 0 HG21 ILE A 7 10.452 -0.268 -7.344 1.00 31.53 H new ATOM 0 HG22 ILE A 7 11.862 0.782 -7.619 1.00 31.53 H new ATOM 0 HG23 ILE A 7 11.775 -0.226 -6.155 1.00 31.53 H new ATOM 0 HD11 ILE A 7 7.730 -0.233 -4.923 1.00 63.23 H new ATOM 0 HD12 ILE A 7 7.824 0.755 -6.400 1.00 63.23 H new ATOM 0 HD13 ILE A 7 8.811 -0.718 -6.251 1.00 63.23 H new ATOM 104 N GLU A 8 12.426 3.709 -7.278 1.00 74.54 N ATOM 105 CA GLU A 8 13.420 4.104 -8.269 1.00 75.24 C ATOM 106 C GLU A 8 14.742 4.466 -7.599 1.00 52.23 C ATOM 107 O GLU A 8 15.807 4.024 -8.027 1.00 63.12 O ATOM 108 CB GLU A 8 12.910 5.290 -9.091 1.00 34.31 C ATOM 109 CG GLU A 8 12.467 6.471 -8.244 1.00 53.12 C ATOM 110 CD GLU A 8 13.547 7.526 -8.103 1.00 63.53 C ATOM 111 OE1 GLU A 8 14.707 7.239 -8.469 1.00 34.51 O ATOM 112 OE2 GLU A 8 13.234 8.637 -7.628 1.00 23.24 O ATOM 0 H GLU A 8 11.563 4.252 -7.306 1.00 74.54 H new ATOM 0 HA GLU A 8 13.590 3.257 -8.934 1.00 75.24 H new ATOM 0 HB2 GLU A 8 13.698 5.616 -9.770 1.00 34.31 H new ATOM 0 HB3 GLU A 8 12.073 4.961 -9.707 1.00 34.31 H new ATOM 0 HG2 GLU A 8 11.581 6.921 -8.691 1.00 53.12 H new ATOM 0 HG3 GLU A 8 12.180 6.116 -7.254 1.00 53.12 H new ATOM 119 N GLU A 9 14.663 5.274 -6.547 1.00 1.33 N ATOM 120 CA GLU A 9 15.854 5.697 -5.819 1.00 14.34 C ATOM 121 C GLU A 9 16.510 4.513 -5.115 1.00 1.24 C ATOM 122 O GLU A 9 17.736 4.410 -5.064 1.00 32.42 O ATOM 123 CB GLU A 9 15.496 6.778 -4.796 1.00 40.23 C ATOM 124 CG GLU A 9 16.640 7.135 -3.862 1.00 63.04 C ATOM 125 CD GLU A 9 16.337 8.349 -3.006 1.00 22.24 C ATOM 126 OE1 GLU A 9 15.268 8.367 -2.360 1.00 61.42 O ATOM 127 OE2 GLU A 9 17.168 9.281 -2.981 1.00 21.54 O ATOM 0 H GLU A 9 13.788 5.649 -6.180 1.00 1.33 H new ATOM 0 HA GLU A 9 16.562 6.108 -6.539 1.00 14.34 H new ATOM 0 HB2 GLU A 9 15.177 7.676 -5.325 1.00 40.23 H new ATOM 0 HB3 GLU A 9 14.647 6.438 -4.203 1.00 40.23 H new ATOM 0 HG2 GLU A 9 16.855 6.284 -3.216 1.00 63.04 H new ATOM 0 HG3 GLU A 9 17.538 7.324 -4.450 1.00 63.04 H new ATOM 134 N ARG A 10 15.685 3.623 -4.573 1.00 3.14 N ATOM 135 CA ARG A 10 16.185 2.447 -3.870 1.00 12.40 C ATOM 136 C ARG A 10 16.898 1.501 -4.832 1.00 14.32 C ATOM 137 O ARG A 10 18.083 1.212 -4.670 1.00 43.02 O ATOM 138 CB ARG A 10 15.035 1.715 -3.176 1.00 0.12 C ATOM 139 CG ARG A 10 14.537 2.414 -1.921 1.00 24.30 C ATOM 140 CD ARG A 10 15.189 1.844 -0.671 1.00 32.14 C ATOM 141 NE ARG A 10 14.393 0.771 -0.079 1.00 43.33 N ATOM 142 CZ ARG A 10 13.335 0.983 0.696 1.00 63.43 C ATOM 143 NH1 ARG A 10 12.948 2.220 0.971 1.00 54.31 N ATOM 144 NH2 ARG A 10 12.662 -0.045 1.197 1.00 65.43 N ATOM 0 H ARG A 10 14.668 3.694 -4.607 1.00 3.14 H new ATOM 0 HA ARG A 10 16.901 2.780 -3.119 1.00 12.40 H new ATOM 0 HB2 ARG A 10 14.207 1.611 -3.877 1.00 0.12 H new ATOM 0 HB3 ARG A 10 15.361 0.708 -2.916 1.00 0.12 H new ATOM 0 HG2 ARG A 10 14.749 3.481 -1.989 1.00 24.30 H new ATOM 0 HG3 ARG A 10 13.455 2.308 -1.849 1.00 24.30 H new ATOM 0 HD2 ARG A 10 16.180 1.465 -0.920 1.00 32.14 H new ATOM 0 HD3 ARG A 10 15.326 2.640 0.061 1.00 32.14 H new ATOM 0 HE ARG A 10 14.664 -0.193 -0.271 1.00 43.33 H new ATOM 0 HH11 ARG A 10 13.463 3.013 0.587 1.00 54.31 H new ATOM 0 HH12 ARG A 10 12.135 2.380 1.566 1.00 54.31 H new ATOM 0 HH21 ARG A 10 12.957 -0.999 0.987 1.00 65.43 H new ATOM 0 HH22 ARG A 10 11.850 0.118 1.792 1.00 65.43 H new ATOM 158 N VAL A 11 16.166 1.022 -5.833 1.00 23.31 N ATOM 159 CA VAL A 11 16.728 0.109 -6.821 1.00 61.31 C ATOM 160 C VAL A 11 18.029 0.656 -7.398 1.00 55.34 C ATOM 161 O VAL A 11 19.083 0.030 -7.287 1.00 52.21 O ATOM 162 CB VAL A 11 15.738 -0.151 -7.972 1.00 32.42 C ATOM 163 CG1 VAL A 11 16.280 -1.216 -8.913 1.00 24.10 C ATOM 164 CG2 VAL A 11 14.378 -0.556 -7.423 1.00 22.33 C ATOM 0 H VAL A 11 15.183 1.251 -5.981 1.00 23.31 H new ATOM 0 HA VAL A 11 16.929 -0.830 -6.306 1.00 61.31 H new ATOM 0 HB VAL A 11 15.616 0.772 -8.539 1.00 32.42 H new ATOM 0 HG11 VAL A 11 15.567 -1.386 -9.720 1.00 24.10 H new ATOM 0 HG12 VAL A 11 17.229 -0.882 -9.332 1.00 24.10 H new ATOM 0 HG13 VAL A 11 16.433 -2.144 -8.362 1.00 24.10 H new ATOM 0 HG21 VAL A 11 13.691 -0.736 -8.250 1.00 22.33 H new ATOM 0 HG22 VAL A 11 14.481 -1.466 -6.832 1.00 22.33 H new ATOM 0 HG23 VAL A 11 13.987 0.243 -6.794 1.00 22.33 H new ATOM 174 N LYS A 12 17.947 1.830 -8.016 1.00 3.12 N ATOM 175 CA LYS A 12 19.118 2.465 -8.610 1.00 54.11 C ATOM 176 C LYS A 12 20.270 2.525 -7.612 1.00 53.03 C ATOM 177 O LYS A 12 21.408 2.189 -7.941 1.00 33.01 O ATOM 178 CB LYS A 12 18.770 3.876 -9.089 1.00 14.42 C ATOM 179 CG LYS A 12 17.808 3.900 -10.264 1.00 42.15 C ATOM 180 CD LYS A 12 18.347 3.104 -11.441 1.00 53.14 C ATOM 181 CE LYS A 12 17.671 3.507 -12.743 1.00 11.30 C ATOM 182 NZ LYS A 12 16.187 3.513 -12.619 1.00 31.12 N ATOM 0 H LYS A 12 17.082 2.361 -8.118 1.00 3.12 H new ATOM 0 HA LYS A 12 19.432 1.865 -9.464 1.00 54.11 H new ATOM 0 HB2 LYS A 12 18.333 4.434 -8.261 1.00 14.42 H new ATOM 0 HB3 LYS A 12 19.688 4.391 -9.371 1.00 14.42 H new ATOM 0 HG2 LYS A 12 16.846 3.490 -9.956 1.00 42.15 H new ATOM 0 HG3 LYS A 12 17.632 4.931 -10.571 1.00 42.15 H new ATOM 0 HD2 LYS A 12 19.423 3.260 -11.525 1.00 53.14 H new ATOM 0 HD3 LYS A 12 18.192 2.040 -11.263 1.00 53.14 H new ATOM 0 HE2 LYS A 12 18.015 4.498 -13.039 1.00 11.30 H new ATOM 0 HE3 LYS A 12 17.967 2.818 -13.534 1.00 11.30 H new ATOM 0 HZ1 LYS A 12 15.760 3.557 -13.566 1.00 31.12 H new ATOM 0 HZ2 LYS A 12 15.875 2.645 -12.138 1.00 31.12 H new ATOM 0 HZ3 LYS A 12 15.888 4.341 -12.066 1.00 31.12 H new ATOM 196 N LYS A 13 19.967 2.954 -6.391 1.00 64.35 N ATOM 197 CA LYS A 13 20.977 3.055 -5.344 1.00 15.11 C ATOM 198 C LYS A 13 21.761 1.753 -5.216 1.00 52.11 C ATOM 199 O LYS A 13 22.992 1.761 -5.177 1.00 35.42 O ATOM 200 CB LYS A 13 20.319 3.400 -4.006 1.00 2.52 C ATOM 201 CG LYS A 13 21.303 3.501 -2.853 1.00 31.11 C ATOM 202 CD LYS A 13 20.664 4.134 -1.628 1.00 41.43 C ATOM 203 CE LYS A 13 19.635 3.210 -0.996 1.00 12.43 C ATOM 204 NZ LYS A 13 20.125 2.629 0.285 1.00 75.54 N ATOM 0 H LYS A 13 19.031 3.237 -6.102 1.00 64.35 H new ATOM 0 HA LYS A 13 21.671 3.850 -5.618 1.00 15.11 H new ATOM 0 HB2 LYS A 13 19.789 4.347 -4.105 1.00 2.52 H new ATOM 0 HB3 LYS A 13 19.573 2.641 -3.771 1.00 2.52 H new ATOM 0 HG2 LYS A 13 21.671 2.507 -2.600 1.00 31.11 H new ATOM 0 HG3 LYS A 13 22.166 4.092 -3.161 1.00 31.11 H new ATOM 0 HD2 LYS A 13 21.436 4.375 -0.897 1.00 41.43 H new ATOM 0 HD3 LYS A 13 20.187 5.073 -1.909 1.00 41.43 H new ATOM 0 HE2 LYS A 13 18.713 3.763 -0.815 1.00 12.43 H new ATOM 0 HE3 LYS A 13 19.394 2.406 -1.691 1.00 12.43 H new ATOM 0 HZ1 LYS A 13 19.395 2.005 0.685 1.00 75.54 H new ATOM 0 HZ2 LYS A 13 20.991 2.081 0.109 1.00 75.54 H new ATOM 0 HZ3 LYS A 13 20.331 3.395 0.957 1.00 75.54 H new ATOM 218 N ILE A 14 21.041 0.638 -5.153 1.00 1.00 N ATOM 219 CA ILE A 14 21.671 -0.671 -5.032 1.00 73.14 C ATOM 220 C ILE A 14 22.585 -0.953 -6.220 1.00 4.45 C ATOM 221 O ILE A 14 23.779 -1.203 -6.050 1.00 42.04 O ATOM 222 CB ILE A 14 20.621 -1.793 -4.930 1.00 71.31 C ATOM 223 CG1 ILE A 14 20.148 -1.948 -3.483 1.00 74.44 C ATOM 224 CG2 ILE A 14 21.194 -3.104 -5.449 1.00 1.40 C ATOM 225 CD1 ILE A 14 19.250 -0.823 -3.017 1.00 64.33 C ATOM 0 H ILE A 14 20.022 0.615 -5.184 1.00 1.00 H new ATOM 0 HA ILE A 14 22.263 -0.653 -4.117 1.00 73.14 H new ATOM 0 HB ILE A 14 19.763 -1.525 -5.547 1.00 71.31 H new ATOM 0 HG12 ILE A 14 19.614 -2.893 -3.383 1.00 74.44 H new ATOM 0 HG13 ILE A 14 21.018 -2.002 -2.829 1.00 74.44 H new ATOM 0 HG21 ILE A 14 20.440 -3.887 -5.370 1.00 1.40 H new ATOM 0 HG22 ILE A 14 21.487 -2.986 -6.492 1.00 1.40 H new ATOM 0 HG23 ILE A 14 22.066 -3.380 -4.857 1.00 1.40 H new ATOM 0 HD11 ILE A 14 18.953 -0.999 -1.983 1.00 64.33 H new ATOM 0 HD12 ILE A 14 19.787 0.123 -3.085 1.00 64.33 H new ATOM 0 HD13 ILE A 14 18.362 -0.782 -3.647 1.00 64.33 H new ATOM 237 N ILE A 15 22.018 -0.908 -7.420 1.00 60.12 N ATOM 238 CA ILE A 15 22.783 -1.155 -8.636 1.00 23.42 C ATOM 239 C ILE A 15 24.036 -0.288 -8.683 1.00 3.43 C ATOM 240 O ILE A 15 25.074 -0.704 -9.197 1.00 63.22 O ATOM 241 CB ILE A 15 21.940 -0.888 -9.896 1.00 53.13 C ATOM 242 CG1 ILE A 15 20.772 -1.873 -9.973 1.00 73.23 C ATOM 243 CG2 ILE A 15 22.805 -0.986 -11.144 1.00 4.35 C ATOM 244 CD1 ILE A 15 19.415 -1.211 -9.878 1.00 1.20 C ATOM 0 H ILE A 15 21.031 -0.703 -7.577 1.00 60.12 H new ATOM 0 HA ILE A 15 23.072 -2.206 -8.619 1.00 23.42 H new ATOM 0 HB ILE A 15 21.536 0.123 -9.836 1.00 53.13 H new ATOM 0 HG12 ILE A 15 20.833 -2.424 -10.911 1.00 73.23 H new ATOM 0 HG13 ILE A 15 20.869 -2.602 -9.168 1.00 73.23 H new ATOM 0 HG21 ILE A 15 22.194 -0.795 -12.026 1.00 4.35 H new ATOM 0 HG22 ILE A 15 23.606 -0.249 -11.090 1.00 4.35 H new ATOM 0 HG23 ILE A 15 23.236 -1.985 -11.211 1.00 4.35 H new ATOM 0 HD11 ILE A 15 18.635 -1.970 -9.940 1.00 1.20 H new ATOM 0 HD12 ILE A 15 19.333 -0.683 -8.928 1.00 1.20 H new ATOM 0 HD13 ILE A 15 19.298 -0.502 -10.698 1.00 1.20 H new ATOM 256 N VAL A 16 23.933 0.922 -8.140 1.00 72.44 N ATOM 257 CA VAL A 16 25.058 1.848 -8.117 1.00 43.03 C ATOM 258 C VAL A 16 26.057 1.472 -7.029 1.00 4.12 C ATOM 259 O VAL A 16 27.268 1.571 -7.224 1.00 23.03 O ATOM 260 CB VAL A 16 24.588 3.297 -7.889 1.00 61.10 C ATOM 261 CG1 VAL A 16 25.779 4.240 -7.816 1.00 24.24 C ATOM 262 CG2 VAL A 16 23.627 3.724 -8.988 1.00 34.12 C ATOM 0 H VAL A 16 23.081 1.283 -7.710 1.00 72.44 H new ATOM 0 HA VAL A 16 25.543 1.781 -9.091 1.00 43.03 H new ATOM 0 HB VAL A 16 24.060 3.343 -6.937 1.00 61.10 H new ATOM 0 HG11 VAL A 16 25.427 5.259 -7.655 1.00 24.24 H new ATOM 0 HG12 VAL A 16 26.427 3.945 -6.991 1.00 24.24 H new ATOM 0 HG13 VAL A 16 26.338 4.193 -8.751 1.00 24.24 H new ATOM 0 HG21 VAL A 16 23.305 4.750 -8.811 1.00 34.12 H new ATOM 0 HG22 VAL A 16 24.128 3.662 -9.954 1.00 34.12 H new ATOM 0 HG23 VAL A 16 22.758 3.066 -8.988 1.00 34.12 H new ATOM 272 N GLU A 17 25.541 1.040 -5.883 1.00 32.04 N ATOM 273 CA GLU A 17 26.389 0.649 -4.763 1.00 13.35 C ATOM 274 C GLU A 17 27.095 -0.673 -5.050 1.00 14.22 C ATOM 275 O GLU A 17 28.148 -0.961 -4.482 1.00 74.30 O ATOM 276 CB GLU A 17 25.558 0.529 -3.483 1.00 3.20 C ATOM 277 CG GLU A 17 25.358 1.851 -2.761 1.00 55.13 C ATOM 278 CD GLU A 17 24.868 1.670 -1.337 1.00 44.15 C ATOM 279 OE1 GLU A 17 24.404 0.560 -1.006 1.00 21.53 O ATOM 280 OE2 GLU A 17 24.951 2.640 -0.555 1.00 14.01 O ATOM 0 H GLU A 17 24.540 0.952 -5.706 1.00 32.04 H new ATOM 0 HA GLU A 17 27.145 1.422 -4.626 1.00 13.35 H new ATOM 0 HB2 GLU A 17 24.583 0.109 -3.731 1.00 3.20 H new ATOM 0 HB3 GLU A 17 26.046 -0.174 -2.808 1.00 3.20 H new ATOM 0 HG2 GLU A 17 26.299 2.401 -2.750 1.00 55.13 H new ATOM 0 HG3 GLU A 17 24.641 2.458 -3.314 1.00 55.13 H new ATOM 287 N GLN A 18 26.506 -1.471 -5.934 1.00 72.23 N ATOM 288 CA GLN A 18 27.077 -2.763 -6.296 1.00 4.01 C ATOM 289 C GLN A 18 28.125 -2.607 -7.393 1.00 42.30 C ATOM 290 O GLN A 18 29.218 -3.167 -7.306 1.00 65.54 O ATOM 291 CB GLN A 18 25.977 -3.720 -6.758 1.00 0.03 C ATOM 292 CG GLN A 18 24.966 -4.054 -5.673 1.00 1.35 C ATOM 293 CD GLN A 18 25.529 -4.986 -4.618 1.00 13.35 C ATOM 294 OE1 GLN A 18 25.238 -6.182 -4.611 1.00 62.31 O ATOM 295 NE2 GLN A 18 26.339 -4.441 -3.718 1.00 24.23 N ATOM 0 H GLN A 18 25.634 -1.246 -6.413 1.00 72.23 H new ATOM 0 HA GLN A 18 27.561 -3.178 -5.412 1.00 4.01 H new ATOM 0 HB2 GLN A 18 25.454 -3.277 -7.606 1.00 0.03 H new ATOM 0 HB3 GLN A 18 26.435 -4.643 -7.113 1.00 0.03 H new ATOM 0 HG2 GLN A 18 24.632 -3.132 -5.197 1.00 1.35 H new ATOM 0 HG3 GLN A 18 24.089 -4.514 -6.128 1.00 1.35 H new ATOM 0 HE21 GLN A 18 26.553 -3.445 -3.762 1.00 24.23 H new ATOM 0 HE22 GLN A 18 26.747 -5.019 -2.983 1.00 24.23 H new ATOM 304 N LEU A 19 27.785 -1.842 -8.425 1.00 33.14 N ATOM 305 CA LEU A 19 28.696 -1.612 -9.540 1.00 43.01 C ATOM 306 C LEU A 19 29.644 -0.456 -9.239 1.00 3.41 C ATOM 307 O LEU A 19 30.854 -0.646 -9.120 1.00 71.00 O ATOM 308 CB LEU A 19 27.907 -1.320 -10.817 1.00 50.15 C ATOM 309 CG LEU A 19 27.820 -2.463 -11.829 1.00 20.41 C ATOM 310 CD1 LEU A 19 26.663 -3.390 -11.489 1.00 22.11 C ATOM 311 CD2 LEU A 19 27.670 -1.916 -13.241 1.00 21.11 C ATOM 0 H LEU A 19 26.885 -1.371 -8.512 1.00 33.14 H new ATOM 0 HA LEU A 19 29.289 -2.515 -9.685 1.00 43.01 H new ATOM 0 HB2 LEU A 19 26.894 -1.032 -10.536 1.00 50.15 H new ATOM 0 HB3 LEU A 19 28.358 -0.459 -11.310 1.00 50.15 H new ATOM 0 HG LEU A 19 28.745 -3.037 -11.780 1.00 20.41 H new ATOM 0 HD11 LEU A 19 26.617 -4.197 -12.220 1.00 22.11 H new ATOM 0 HD12 LEU A 19 26.813 -3.809 -10.494 1.00 22.11 H new ATOM 0 HD13 LEU A 19 25.729 -2.829 -11.509 1.00 22.11 H new ATOM 0 HD21 LEU A 19 27.610 -2.744 -13.947 1.00 21.11 H new ATOM 0 HD22 LEU A 19 26.761 -1.318 -13.305 1.00 21.11 H new ATOM 0 HD23 LEU A 19 28.532 -1.294 -13.484 1.00 21.11 H new ATOM 323 N GLY A 20 29.085 0.744 -9.115 1.00 3.44 N ATOM 324 CA GLY A 20 29.895 1.914 -8.826 1.00 61.31 C ATOM 325 C GLY A 20 29.659 3.040 -9.813 1.00 2.03 C ATOM 326 O GLY A 20 30.009 4.190 -9.548 1.00 13.40 O ATOM 0 H GLY A 20 28.086 0.927 -9.209 1.00 3.44 H new ATOM 0 HA2 GLY A 20 29.673 2.266 -7.818 1.00 61.31 H new ATOM 0 HA3 GLY A 20 30.949 1.636 -8.842 1.00 61.31 H new ATOM 330 N VAL A 21 29.066 2.709 -10.955 1.00 53.43 N ATOM 331 CA VAL A 21 28.784 3.702 -11.986 1.00 20.24 C ATOM 332 C VAL A 21 27.748 4.713 -11.507 1.00 21.55 C ATOM 333 O VAL A 21 27.306 4.667 -10.359 1.00 33.25 O ATOM 334 CB VAL A 21 28.278 3.039 -13.280 1.00 73.42 C ATOM 335 CG1 VAL A 21 29.292 2.029 -13.795 1.00 44.34 C ATOM 336 CG2 VAL A 21 26.927 2.378 -13.047 1.00 44.01 C ATOM 0 H VAL A 21 28.771 1.761 -11.190 1.00 53.43 H new ATOM 0 HA VAL A 21 29.722 4.218 -12.193 1.00 20.24 H new ATOM 0 HB VAL A 21 28.153 3.812 -14.038 1.00 73.42 H new ATOM 0 HG11 VAL A 21 28.917 1.571 -14.710 1.00 44.34 H new ATOM 0 HG12 VAL A 21 30.235 2.534 -14.003 1.00 44.34 H new ATOM 0 HG13 VAL A 21 29.452 1.257 -13.042 1.00 44.34 H new ATOM 0 HG21 VAL A 21 26.584 1.914 -13.972 1.00 44.01 H new ATOM 0 HG22 VAL A 21 27.023 1.616 -12.273 1.00 44.01 H new ATOM 0 HG23 VAL A 21 26.204 3.129 -12.728 1.00 44.01 H new ATOM 346 N ASP A 22 27.365 5.624 -12.394 1.00 12.04 N ATOM 347 CA ASP A 22 26.379 6.646 -12.062 1.00 52.13 C ATOM 348 C ASP A 22 24.971 6.177 -12.414 1.00 55.15 C ATOM 349 O ASP A 22 24.732 5.667 -13.509 1.00 10.24 O ATOM 350 CB ASP A 22 26.695 7.948 -12.800 1.00 3.35 C ATOM 351 CG ASP A 22 26.159 9.168 -12.076 1.00 45.10 C ATOM 352 OD1 ASP A 22 26.732 9.536 -11.029 1.00 10.42 O ATOM 353 OD2 ASP A 22 25.168 9.755 -12.558 1.00 2.15 O ATOM 0 H ASP A 22 27.722 5.676 -13.348 1.00 12.04 H new ATOM 0 HA ASP A 22 26.425 6.825 -10.988 1.00 52.13 H new ATOM 0 HB2 ASP A 22 27.775 8.043 -12.917 1.00 3.35 H new ATOM 0 HB3 ASP A 22 26.268 7.907 -13.802 1.00 3.35 H new ATOM 358 N GLU A 23 24.042 6.353 -11.479 1.00 65.30 N ATOM 359 CA GLU A 23 22.659 5.945 -11.691 1.00 15.20 C ATOM 360 C GLU A 23 22.085 6.598 -12.946 1.00 23.33 C ATOM 361 O GLU A 23 21.170 6.065 -13.572 1.00 14.10 O ATOM 362 CB GLU A 23 21.804 6.312 -10.476 1.00 53.21 C ATOM 363 CG GLU A 23 21.754 7.805 -10.196 1.00 33.45 C ATOM 364 CD GLU A 23 20.748 8.529 -11.069 1.00 10.10 C ATOM 365 OE1 GLU A 23 19.572 8.110 -11.094 1.00 21.22 O ATOM 366 OE2 GLU A 23 21.138 9.516 -11.728 1.00 14.13 O ATOM 0 H GLU A 23 24.223 6.775 -10.568 1.00 65.30 H new ATOM 0 HA GLU A 23 22.643 4.863 -11.825 1.00 15.20 H new ATOM 0 HB2 GLU A 23 20.789 5.946 -10.632 1.00 53.21 H new ATOM 0 HB3 GLU A 23 22.196 5.799 -9.598 1.00 53.21 H new ATOM 0 HG2 GLU A 23 21.502 7.966 -9.148 1.00 33.45 H new ATOM 0 HG3 GLU A 23 22.743 8.234 -10.356 1.00 33.45 H new ATOM 373 N ALA A 24 22.631 7.755 -13.306 1.00 22.41 N ATOM 374 CA ALA A 24 22.176 8.480 -14.486 1.00 21.53 C ATOM 375 C ALA A 24 22.504 7.712 -15.762 1.00 51.10 C ATOM 376 O ALA A 24 21.630 7.471 -16.594 1.00 15.44 O ATOM 377 CB ALA A 24 22.800 9.866 -14.526 1.00 45.54 C ATOM 0 H ALA A 24 23.389 8.210 -12.797 1.00 22.41 H new ATOM 0 HA ALA A 24 21.093 8.583 -14.424 1.00 21.53 H new ATOM 0 HB1 ALA A 24 22.452 10.396 -15.412 1.00 45.54 H new ATOM 0 HB2 ALA A 24 22.511 10.421 -13.634 1.00 45.54 H new ATOM 0 HB3 ALA A 24 23.886 9.775 -14.561 1.00 45.54 H new ATOM 383 N GLU A 25 23.769 7.332 -15.910 1.00 21.51 N ATOM 384 CA GLU A 25 24.211 6.593 -17.087 1.00 22.54 C ATOM 385 C GLU A 25 23.372 5.333 -17.285 1.00 45.32 C ATOM 386 O GLU A 25 23.223 4.844 -18.405 1.00 32.53 O ATOM 387 CB GLU A 25 25.689 6.219 -16.956 1.00 62.20 C ATOM 388 CG GLU A 25 26.618 7.420 -16.895 1.00 53.02 C ATOM 389 CD GLU A 25 26.456 8.343 -18.087 1.00 41.23 C ATOM 390 OE1 GLU A 25 26.879 7.959 -19.197 1.00 43.35 O ATOM 391 OE2 GLU A 25 25.906 9.450 -17.909 1.00 54.12 O ATOM 0 H GLU A 25 24.505 7.523 -15.230 1.00 21.51 H new ATOM 0 HA GLU A 25 24.082 7.236 -17.958 1.00 22.54 H new ATOM 0 HB2 GLU A 25 25.825 5.619 -16.056 1.00 62.20 H new ATOM 0 HB3 GLU A 25 25.973 5.593 -17.802 1.00 62.20 H new ATOM 0 HG2 GLU A 25 26.425 7.978 -15.979 1.00 53.02 H new ATOM 0 HG3 GLU A 25 27.650 7.074 -16.846 1.00 53.02 H new ATOM 398 N VAL A 26 22.828 4.813 -16.190 1.00 14.43 N ATOM 399 CA VAL A 26 22.003 3.612 -16.242 1.00 65.22 C ATOM 400 C VAL A 26 20.569 3.946 -16.636 1.00 62.13 C ATOM 401 O VAL A 26 19.866 4.659 -15.920 1.00 22.45 O ATOM 402 CB VAL A 26 21.994 2.878 -14.888 1.00 65.10 C ATOM 403 CG1 VAL A 26 21.123 1.633 -14.961 1.00 2.21 C ATOM 404 CG2 VAL A 26 23.412 2.523 -14.466 1.00 20.43 C ATOM 0 H VAL A 26 22.944 5.205 -15.255 1.00 14.43 H new ATOM 0 HA VAL A 26 22.441 2.960 -16.998 1.00 65.22 H new ATOM 0 HB VAL A 26 21.571 3.544 -14.136 1.00 65.10 H new ATOM 0 HG11 VAL A 26 21.129 1.128 -13.995 1.00 2.21 H new ATOM 0 HG12 VAL A 26 20.102 1.918 -15.215 1.00 2.21 H new ATOM 0 HG13 VAL A 26 21.513 0.960 -15.725 1.00 2.21 H new ATOM 0 HG21 VAL A 26 23.387 2.005 -13.507 1.00 20.43 H new ATOM 0 HG22 VAL A 26 23.864 1.875 -15.217 1.00 20.43 H new ATOM 0 HG23 VAL A 26 24.002 3.434 -14.371 1.00 20.43 H new ATOM 414 N LYS A 27 20.140 3.426 -17.781 1.00 73.11 N ATOM 415 CA LYS A 27 18.788 3.666 -18.272 1.00 11.42 C ATOM 416 C LYS A 27 17.862 2.511 -17.905 1.00 63.32 C ATOM 417 O LYS A 27 18.301 1.505 -17.349 1.00 73.32 O ATOM 418 CB LYS A 27 18.801 3.861 -19.790 1.00 4.23 C ATOM 419 CG LYS A 27 19.661 5.028 -20.246 1.00 34.25 C ATOM 420 CD LYS A 27 19.467 5.319 -21.724 1.00 73.23 C ATOM 421 CE LYS A 27 20.400 4.480 -22.584 1.00 53.33 C ATOM 422 NZ LYS A 27 21.820 4.904 -22.438 1.00 32.25 N ATOM 0 H LYS A 27 20.710 2.835 -18.387 1.00 73.11 H new ATOM 0 HA LYS A 27 18.413 4.573 -17.799 1.00 11.42 H new ATOM 0 HB2 LYS A 27 19.163 2.948 -20.262 1.00 4.23 H new ATOM 0 HB3 LYS A 27 17.779 4.016 -20.137 1.00 4.23 H new ATOM 0 HG2 LYS A 27 19.411 5.915 -19.664 1.00 34.25 H new ATOM 0 HG3 LYS A 27 20.710 4.805 -20.053 1.00 34.25 H new ATOM 0 HD2 LYS A 27 18.433 5.117 -22.003 1.00 73.23 H new ATOM 0 HD3 LYS A 27 19.648 6.377 -21.914 1.00 73.23 H new ATOM 0 HE2 LYS A 27 20.304 3.430 -22.306 1.00 53.33 H new ATOM 0 HE3 LYS A 27 20.102 4.562 -23.629 1.00 53.33 H new ATOM 0 HZ1 LYS A 27 22.362 4.596 -23.271 1.00 32.25 H new ATOM 0 HZ2 LYS A 27 21.867 5.940 -22.358 1.00 32.25 H new ATOM 0 HZ3 LYS A 27 22.225 4.473 -21.583 1.00 32.25 H new ATOM 436 N ASN A 28 16.580 2.662 -18.222 1.00 64.20 N ATOM 437 CA ASN A 28 15.593 1.630 -17.926 1.00 63.35 C ATOM 438 C ASN A 28 15.677 0.491 -18.939 1.00 13.41 C ATOM 439 O ASN A 28 15.383 -0.660 -18.618 1.00 41.31 O ATOM 440 CB ASN A 28 14.185 2.227 -17.928 1.00 75.43 C ATOM 441 CG ASN A 28 13.918 3.084 -16.706 1.00 63.10 C ATOM 442 OD1 ASN A 28 13.928 4.313 -16.782 1.00 25.42 O ATOM 443 ND2 ASN A 28 13.678 2.438 -15.571 1.00 64.41 N ATOM 0 H ASN A 28 16.201 3.489 -18.684 1.00 64.20 H new ATOM 0 HA ASN A 28 15.808 1.228 -16.936 1.00 63.35 H new ATOM 0 HB2 ASN A 28 14.050 2.829 -18.827 1.00 75.43 H new ATOM 0 HB3 ASN A 28 13.452 1.421 -17.971 1.00 75.43 H new ATOM 0 HD21 ASN A 28 13.492 2.962 -14.716 1.00 64.41 H new ATOM 0 HD22 ASN A 28 13.680 1.418 -15.554 1.00 64.41 H new ATOM 450 N GLU A 29 16.080 0.822 -20.162 1.00 13.53 N ATOM 451 CA GLU A 29 16.201 -0.173 -21.221 1.00 4.53 C ATOM 452 C GLU A 29 17.663 -0.542 -21.455 1.00 3.03 C ATOM 453 O GLU A 29 18.133 -0.572 -22.592 1.00 35.00 O ATOM 454 CB GLU A 29 15.583 0.353 -22.518 1.00 33.41 C ATOM 455 CG GLU A 29 16.079 1.733 -22.914 1.00 1.02 C ATOM 456 CD GLU A 29 15.728 2.091 -24.345 1.00 11.12 C ATOM 457 OE1 GLU A 29 16.433 1.625 -25.264 1.00 3.32 O ATOM 458 OE2 GLU A 29 14.747 2.837 -24.545 1.00 52.42 O ATOM 0 H GLU A 29 16.328 1.771 -20.444 1.00 13.53 H new ATOM 0 HA GLU A 29 15.663 -1.068 -20.907 1.00 4.53 H new ATOM 0 HB2 GLU A 29 15.801 -0.347 -23.324 1.00 33.41 H new ATOM 0 HB3 GLU A 29 14.499 0.384 -22.407 1.00 33.41 H new ATOM 0 HG2 GLU A 29 15.650 2.476 -22.242 1.00 1.02 H new ATOM 0 HG3 GLU A 29 17.161 1.776 -22.788 1.00 1.02 H new ATOM 465 N ALA A 30 18.378 -0.822 -20.370 1.00 12.24 N ATOM 466 CA ALA A 30 19.785 -1.191 -20.456 1.00 3.42 C ATOM 467 C ALA A 30 19.995 -2.650 -20.067 1.00 4.14 C ATOM 468 O ALA A 30 19.100 -3.290 -19.515 1.00 63.22 O ATOM 469 CB ALA A 30 20.624 -0.280 -19.571 1.00 65.43 C ATOM 0 H ALA A 30 18.005 -0.800 -19.421 1.00 12.24 H new ATOM 0 HA ALA A 30 20.105 -1.069 -21.491 1.00 3.42 H new ATOM 0 HB1 ALA A 30 21.673 -0.567 -19.645 1.00 65.43 H new ATOM 0 HB2 ALA A 30 20.506 0.753 -19.897 1.00 65.43 H new ATOM 0 HB3 ALA A 30 20.294 -0.373 -18.536 1.00 65.43 H new ATOM 475 N SER A 31 21.183 -3.170 -20.358 1.00 24.21 N ATOM 476 CA SER A 31 21.509 -4.556 -20.042 1.00 61.12 C ATOM 477 C SER A 31 22.448 -4.634 -18.842 1.00 13.41 C ATOM 478 O SER A 31 23.099 -3.652 -18.484 1.00 63.13 O ATOM 479 CB SER A 31 22.151 -5.239 -21.251 1.00 62.31 C ATOM 480 OG SER A 31 21.471 -4.903 -22.448 1.00 32.11 O ATOM 0 H SER A 31 21.936 -2.653 -20.812 1.00 24.21 H new ATOM 0 HA SER A 31 20.583 -5.073 -19.790 1.00 61.12 H new ATOM 0 HB2 SER A 31 23.197 -4.942 -21.328 1.00 62.31 H new ATOM 0 HB3 SER A 31 22.136 -6.320 -21.112 1.00 62.31 H new ATOM 0 HG SER A 31 21.902 -5.351 -23.206 1.00 32.11 H new ATOM 486 N PHE A 32 22.511 -5.808 -18.223 1.00 63.15 N ATOM 487 CA PHE A 32 23.369 -6.015 -17.062 1.00 71.44 C ATOM 488 C PHE A 32 24.774 -6.427 -17.491 1.00 22.51 C ATOM 489 O PHE A 32 25.605 -6.798 -16.661 1.00 50.33 O ATOM 490 CB PHE A 32 22.770 -7.082 -16.144 1.00 22.44 C ATOM 491 CG PHE A 32 21.792 -6.533 -15.144 1.00 65.05 C ATOM 492 CD1 PHE A 32 21.035 -5.411 -15.441 1.00 63.21 C ATOM 493 CD2 PHE A 32 21.630 -7.139 -13.909 1.00 2.30 C ATOM 494 CE1 PHE A 32 20.136 -4.903 -14.523 1.00 75.32 C ATOM 495 CE2 PHE A 32 20.732 -6.635 -12.987 1.00 75.51 C ATOM 496 CZ PHE A 32 19.983 -5.517 -13.295 1.00 55.22 C ATOM 0 H PHE A 32 21.978 -6.631 -18.506 1.00 63.15 H new ATOM 0 HA PHE A 32 23.436 -5.073 -16.518 1.00 71.44 H new ATOM 0 HB2 PHE A 32 22.270 -7.835 -16.753 1.00 22.44 H new ATOM 0 HB3 PHE A 32 23.577 -7.587 -15.612 1.00 22.44 H new ATOM 0 HD1 PHE A 32 21.149 -4.928 -16.400 1.00 63.21 H new ATOM 0 HD2 PHE A 32 22.212 -8.015 -13.664 1.00 2.30 H new ATOM 0 HE1 PHE A 32 19.553 -4.027 -14.765 1.00 75.32 H new ATOM 0 HE2 PHE A 32 20.616 -7.115 -12.027 1.00 75.51 H new ATOM 0 HZ PHE A 32 19.279 -5.123 -12.577 1.00 55.22 H new ATOM 506 N VAL A 33 25.033 -6.361 -18.793 1.00 52.11 N ATOM 507 CA VAL A 33 26.337 -6.726 -19.333 1.00 72.23 C ATOM 508 C VAL A 33 26.656 -5.923 -20.589 1.00 72.45 C ATOM 509 O VAL A 33 27.786 -5.474 -20.781 1.00 71.22 O ATOM 510 CB VAL A 33 26.406 -8.228 -19.666 1.00 73.51 C ATOM 511 CG1 VAL A 33 27.758 -8.581 -20.266 1.00 62.21 C ATOM 512 CG2 VAL A 33 26.131 -9.062 -18.424 1.00 34.13 C ATOM 0 H VAL A 33 24.356 -6.058 -19.494 1.00 52.11 H new ATOM 0 HA VAL A 33 27.074 -6.498 -18.563 1.00 72.23 H new ATOM 0 HB VAL A 33 25.637 -8.454 -20.405 1.00 73.51 H new ATOM 0 HG11 VAL A 33 27.788 -9.646 -20.495 1.00 62.21 H new ATOM 0 HG12 VAL A 33 27.910 -8.009 -21.181 1.00 62.21 H new ATOM 0 HG13 VAL A 33 28.546 -8.341 -19.553 1.00 62.21 H new ATOM 0 HG21 VAL A 33 26.184 -10.121 -18.678 1.00 34.13 H new ATOM 0 HG22 VAL A 33 26.875 -8.834 -17.661 1.00 34.13 H new ATOM 0 HG23 VAL A 33 25.137 -8.829 -18.042 1.00 34.13 H new ATOM 522 N ASP A 34 25.653 -5.746 -21.442 1.00 73.31 N ATOM 523 CA ASP A 34 25.825 -4.996 -22.680 1.00 43.35 C ATOM 524 C ASP A 34 26.006 -3.508 -22.394 1.00 33.33 C ATOM 525 O ASP A 34 26.845 -2.846 -23.004 1.00 3.25 O ATOM 526 CB ASP A 34 24.623 -5.208 -23.602 1.00 64.03 C ATOM 527 CG ASP A 34 25.019 -5.266 -25.065 1.00 14.02 C ATOM 528 OD1 ASP A 34 25.996 -5.974 -25.388 1.00 54.12 O ATOM 529 OD2 ASP A 34 24.350 -4.604 -25.886 1.00 65.11 O ATOM 0 H ASP A 34 24.712 -6.112 -21.298 1.00 73.31 H new ATOM 0 HA ASP A 34 26.723 -5.364 -23.176 1.00 43.35 H new ATOM 0 HB2 ASP A 34 24.118 -6.134 -23.328 1.00 64.03 H new ATOM 0 HB3 ASP A 34 23.908 -4.399 -23.454 1.00 64.03 H new ATOM 534 N ASP A 35 25.212 -2.990 -21.463 1.00 72.02 N ATOM 535 CA ASP A 35 25.284 -1.581 -21.095 1.00 55.35 C ATOM 536 C ASP A 35 26.419 -1.334 -20.107 1.00 33.34 C ATOM 537 O ASP A 35 27.407 -0.674 -20.431 1.00 72.31 O ATOM 538 CB ASP A 35 23.956 -1.121 -20.492 1.00 13.04 C ATOM 539 CG ASP A 35 22.997 -0.588 -21.538 1.00 44.34 C ATOM 540 OD1 ASP A 35 22.459 -1.401 -22.319 1.00 4.44 O ATOM 541 OD2 ASP A 35 22.786 0.643 -21.578 1.00 61.30 O ATOM 0 H ASP A 35 24.511 -3.525 -20.950 1.00 72.02 H new ATOM 0 HA ASP A 35 25.482 -1.005 -21.999 1.00 55.35 H new ATOM 0 HB2 ASP A 35 23.490 -1.956 -19.968 1.00 13.04 H new ATOM 0 HB3 ASP A 35 24.147 -0.346 -19.750 1.00 13.04 H new ATOM 546 N LEU A 36 26.270 -1.867 -18.899 1.00 24.51 N ATOM 547 CA LEU A 36 27.283 -1.705 -17.861 1.00 52.12 C ATOM 548 C LEU A 36 28.596 -2.361 -18.275 1.00 5.44 C ATOM 549 O LEU A 36 29.584 -1.679 -18.546 1.00 52.13 O ATOM 550 CB LEU A 36 26.792 -2.307 -16.543 1.00 52.54 C ATOM 551 CG LEU A 36 25.627 -1.582 -15.868 1.00 31.24 C ATOM 552 CD1 LEU A 36 25.815 -0.075 -15.950 1.00 61.44 C ATOM 553 CD2 LEU A 36 24.305 -1.992 -16.500 1.00 60.02 C ATOM 0 H LEU A 36 25.458 -2.415 -18.614 1.00 24.51 H new ATOM 0 HA LEU A 36 27.459 -0.638 -17.723 1.00 52.12 H new ATOM 0 HB2 LEU A 36 26.494 -3.339 -16.727 1.00 52.54 H new ATOM 0 HB3 LEU A 36 27.629 -2.336 -15.846 1.00 52.54 H new ATOM 0 HG LEU A 36 25.608 -1.868 -14.816 1.00 31.24 H new ATOM 0 HD11 LEU A 36 24.976 0.423 -15.464 1.00 61.44 H new ATOM 0 HD12 LEU A 36 26.742 0.204 -15.449 1.00 61.44 H new ATOM 0 HD13 LEU A 36 25.862 0.229 -16.996 1.00 61.44 H new ATOM 0 HD21 LEU A 36 23.487 -1.466 -16.007 1.00 60.02 H new ATOM 0 HD22 LEU A 36 24.314 -1.737 -17.560 1.00 60.02 H new ATOM 0 HD23 LEU A 36 24.166 -3.067 -16.387 1.00 60.02 H new ATOM 565 N GLY A 37 28.600 -3.689 -18.322 1.00 32.42 N ATOM 566 CA GLY A 37 29.797 -4.415 -18.705 1.00 74.10 C ATOM 567 C GLY A 37 30.059 -5.612 -17.813 1.00 62.43 C ATOM 568 O GLY A 37 30.977 -6.392 -18.064 1.00 64.35 O ATOM 0 H GLY A 37 27.795 -4.276 -18.102 1.00 32.42 H new ATOM 0 HA2 GLY A 37 29.700 -4.750 -19.738 1.00 74.10 H new ATOM 0 HA3 GLY A 37 30.654 -3.743 -18.667 1.00 74.10 H new ATOM 572 N ALA A 38 29.252 -5.758 -16.768 1.00 10.24 N ATOM 573 CA ALA A 38 29.401 -6.869 -15.836 1.00 5.32 C ATOM 574 C ALA A 38 29.238 -8.208 -16.547 1.00 11.40 C ATOM 575 O ALA A 38 29.204 -8.268 -17.776 1.00 74.31 O ATOM 576 CB ALA A 38 28.395 -6.745 -14.701 1.00 41.03 C ATOM 0 H ALA A 38 28.488 -5.120 -16.545 1.00 10.24 H new ATOM 0 HA ALA A 38 30.408 -6.829 -15.420 1.00 5.32 H new ATOM 0 HB1 ALA A 38 28.518 -7.581 -14.013 1.00 41.03 H new ATOM 0 HB2 ALA A 38 28.561 -5.809 -14.168 1.00 41.03 H new ATOM 0 HB3 ALA A 38 27.384 -6.756 -15.108 1.00 41.03 H new ATOM 582 N ASP A 39 29.138 -9.278 -15.767 1.00 21.22 N ATOM 583 CA ASP A 39 28.978 -10.617 -16.322 1.00 53.14 C ATOM 584 C ASP A 39 27.869 -11.376 -15.600 1.00 53.33 C ATOM 585 O ASP A 39 26.753 -11.494 -16.106 1.00 53.30 O ATOM 586 CB ASP A 39 30.292 -11.394 -16.224 1.00 54.34 C ATOM 587 CG ASP A 39 31.257 -11.042 -17.339 1.00 52.13 C ATOM 588 OD1 ASP A 39 31.097 -11.581 -18.455 1.00 4.03 O ATOM 589 OD2 ASP A 39 32.171 -10.227 -17.097 1.00 10.22 O ATOM 0 H ASP A 39 29.165 -9.245 -14.748 1.00 21.22 H new ATOM 0 HA ASP A 39 28.702 -10.517 -17.372 1.00 53.14 H new ATOM 0 HB2 ASP A 39 30.762 -11.188 -15.262 1.00 54.34 H new ATOM 0 HB3 ASP A 39 30.082 -12.463 -16.253 1.00 54.34 H new ATOM 594 N SER A 40 28.184 -11.889 -14.416 1.00 24.33 N ATOM 595 CA SER A 40 27.216 -12.641 -13.626 1.00 22.20 C ATOM 596 C SER A 40 27.220 -12.175 -12.173 1.00 44.44 C ATOM 597 O SER A 40 26.167 -12.047 -11.547 1.00 45.30 O ATOM 598 CB SER A 40 27.524 -14.138 -13.693 1.00 60.35 C ATOM 599 OG SER A 40 26.579 -14.887 -12.949 1.00 72.34 O ATOM 0 H SER A 40 29.102 -11.798 -13.982 1.00 24.33 H new ATOM 0 HA SER A 40 26.226 -12.461 -14.044 1.00 22.20 H new ATOM 0 HB2 SER A 40 27.517 -14.468 -14.732 1.00 60.35 H new ATOM 0 HB3 SER A 40 28.526 -14.324 -13.306 1.00 60.35 H new ATOM 0 HG SER A 40 26.797 -15.841 -13.009 1.00 72.34 H new ATOM 605 N LEU A 41 28.412 -11.922 -11.644 1.00 10.35 N ATOM 606 CA LEU A 41 28.555 -11.469 -10.264 1.00 44.22 C ATOM 607 C LEU A 41 27.648 -10.275 -9.986 1.00 34.12 C ATOM 608 O LEU A 41 27.148 -10.109 -8.873 1.00 11.20 O ATOM 609 CB LEU A 41 30.011 -11.095 -9.978 1.00 52.12 C ATOM 610 CG LEU A 41 30.881 -12.198 -9.374 1.00 12.53 C ATOM 611 CD1 LEU A 41 32.355 -11.888 -9.580 1.00 42.24 C ATOM 612 CD2 LEU A 41 30.572 -12.369 -7.893 1.00 43.14 C ATOM 0 H LEU A 41 29.293 -12.023 -12.149 1.00 10.35 H new ATOM 0 HA LEU A 41 28.260 -12.287 -9.607 1.00 44.22 H new ATOM 0 HB2 LEU A 41 30.471 -10.767 -10.910 1.00 52.12 H new ATOM 0 HB3 LEU A 41 30.020 -10.241 -9.300 1.00 52.12 H new ATOM 0 HG LEU A 41 30.653 -13.134 -9.883 1.00 12.53 H new ATOM 0 HD11 LEU A 41 32.959 -12.684 -9.144 1.00 42.24 H new ATOM 0 HD12 LEU A 41 32.566 -11.816 -10.647 1.00 42.24 H new ATOM 0 HD13 LEU A 41 32.599 -10.942 -9.097 1.00 42.24 H new ATOM 0 HD21 LEU A 41 31.200 -13.158 -7.479 1.00 43.14 H new ATOM 0 HD22 LEU A 41 30.771 -11.434 -7.369 1.00 43.14 H new ATOM 0 HD23 LEU A 41 29.523 -12.638 -7.769 1.00 43.14 H new ATOM 624 N ASP A 42 27.437 -9.448 -11.004 1.00 61.52 N ATOM 625 CA ASP A 42 26.586 -8.272 -10.870 1.00 44.44 C ATOM 626 C ASP A 42 25.125 -8.674 -10.697 1.00 62.12 C ATOM 627 O ASP A 42 24.487 -8.326 -9.703 1.00 22.32 O ATOM 628 CB ASP A 42 26.737 -7.365 -12.093 1.00 61.42 C ATOM 629 CG ASP A 42 25.580 -6.397 -12.242 1.00 44.22 C ATOM 630 OD1 ASP A 42 25.116 -5.864 -11.212 1.00 42.54 O ATOM 631 OD2 ASP A 42 25.140 -6.171 -13.388 1.00 72.25 O ATOM 0 H ASP A 42 27.844 -9.571 -11.931 1.00 61.52 H new ATOM 0 HA ASP A 42 26.901 -7.726 -9.981 1.00 44.44 H new ATOM 0 HB2 ASP A 42 27.668 -6.804 -12.013 1.00 61.42 H new ATOM 0 HB3 ASP A 42 26.811 -7.979 -12.990 1.00 61.42 H new ATOM 636 N THR A 43 24.599 -9.409 -11.672 1.00 43.04 N ATOM 637 CA THR A 43 23.213 -9.857 -11.629 1.00 42.04 C ATOM 638 C THR A 43 22.870 -10.454 -10.269 1.00 43.13 C ATOM 639 O THR A 43 21.892 -10.058 -9.635 1.00 3.00 O ATOM 640 CB THR A 43 22.927 -10.903 -12.723 1.00 55.23 C ATOM 641 OG1 THR A 43 23.696 -12.086 -12.483 1.00 64.25 O ATOM 642 CG2 THR A 43 23.255 -10.349 -14.101 1.00 42.53 C ATOM 0 H THR A 43 25.113 -9.707 -12.501 1.00 43.04 H new ATOM 0 HA THR A 43 22.591 -8.979 -11.804 1.00 42.04 H new ATOM 0 HB THR A 43 21.865 -11.148 -12.691 1.00 55.23 H new ATOM 0 HG1 THR A 43 24.635 -11.843 -12.341 1.00 64.25 H new ATOM 0 HG21 THR A 43 23.045 -11.106 -14.857 1.00 42.53 H new ATOM 0 HG22 THR A 43 22.646 -9.466 -14.293 1.00 42.53 H new ATOM 0 HG23 THR A 43 24.310 -10.078 -14.142 1.00 42.53 H new ATOM 650 N VAL A 44 23.682 -11.409 -9.826 1.00 12.34 N ATOM 651 CA VAL A 44 23.465 -12.059 -8.539 1.00 21.31 C ATOM 652 C VAL A 44 23.579 -11.061 -7.392 1.00 63.12 C ATOM 653 O VAL A 44 22.847 -11.147 -6.407 1.00 41.00 O ATOM 654 CB VAL A 44 24.472 -13.203 -8.312 1.00 15.14 C ATOM 655 CG1 VAL A 44 25.898 -12.680 -8.381 1.00 23.33 C ATOM 656 CG2 VAL A 44 24.209 -13.886 -6.978 1.00 1.21 C ATOM 0 H VAL A 44 24.495 -11.749 -10.339 1.00 12.34 H new ATOM 0 HA VAL A 44 22.456 -12.471 -8.558 1.00 21.31 H new ATOM 0 HB VAL A 44 24.343 -13.941 -9.104 1.00 15.14 H new ATOM 0 HG11 VAL A 44 26.595 -13.502 -8.218 1.00 23.33 H new ATOM 0 HG12 VAL A 44 26.077 -12.241 -9.362 1.00 23.33 H new ATOM 0 HG13 VAL A 44 26.045 -11.922 -7.612 1.00 23.33 H new ATOM 0 HG21 VAL A 44 24.929 -14.691 -6.833 1.00 1.21 H new ATOM 0 HG22 VAL A 44 24.310 -13.160 -6.171 1.00 1.21 H new ATOM 0 HG23 VAL A 44 23.199 -14.297 -6.972 1.00 1.21 H new ATOM 666 N GLU A 45 24.503 -10.114 -7.529 1.00 35.54 N ATOM 667 CA GLU A 45 24.712 -9.100 -6.503 1.00 4.42 C ATOM 668 C GLU A 45 23.457 -8.254 -6.309 1.00 50.23 C ATOM 669 O GLU A 45 22.929 -8.150 -5.201 1.00 61.13 O ATOM 670 CB GLU A 45 25.893 -8.201 -6.877 1.00 22.23 C ATOM 671 CG GLU A 45 27.182 -8.558 -6.155 1.00 12.11 C ATOM 672 CD GLU A 45 27.125 -8.247 -4.672 1.00 31.22 C ATOM 673 OE1 GLU A 45 26.427 -8.980 -3.939 1.00 44.22 O ATOM 674 OE2 GLU A 45 27.777 -7.272 -4.244 1.00 20.22 O ATOM 0 H GLU A 45 25.117 -10.029 -8.339 1.00 35.54 H new ATOM 0 HA GLU A 45 24.934 -9.609 -5.565 1.00 4.42 H new ATOM 0 HB2 GLU A 45 26.060 -8.263 -7.952 1.00 22.23 H new ATOM 0 HB3 GLU A 45 25.636 -7.166 -6.653 1.00 22.23 H new ATOM 0 HG2 GLU A 45 27.389 -9.619 -6.292 1.00 12.11 H new ATOM 0 HG3 GLU A 45 28.010 -8.011 -6.606 1.00 12.11 H new ATOM 681 N LEU A 46 22.984 -7.651 -7.394 1.00 44.44 N ATOM 682 CA LEU A 46 21.791 -6.813 -7.346 1.00 1.13 C ATOM 683 C LEU A 46 20.609 -7.582 -6.764 1.00 61.15 C ATOM 684 O LEU A 46 19.895 -7.081 -5.896 1.00 51.41 O ATOM 685 CB LEU A 46 21.444 -6.303 -8.746 1.00 20.54 C ATOM 686 CG LEU A 46 22.595 -5.684 -9.539 1.00 10.42 C ATOM 687 CD1 LEU A 46 22.060 -4.856 -10.698 1.00 22.55 C ATOM 688 CD2 LEU A 46 23.470 -4.831 -8.631 1.00 54.23 C ATOM 0 H LEU A 46 23.409 -7.727 -8.318 1.00 44.44 H new ATOM 0 HA LEU A 46 22.001 -5.962 -6.699 1.00 1.13 H new ATOM 0 HB2 LEU A 46 21.037 -7.133 -9.323 1.00 20.54 H new ATOM 0 HB3 LEU A 46 20.652 -5.560 -8.654 1.00 20.54 H new ATOM 0 HG LEU A 46 23.205 -6.490 -9.946 1.00 10.42 H new ATOM 0 HD11 LEU A 46 22.894 -4.423 -11.251 1.00 22.55 H new ATOM 0 HD12 LEU A 46 21.476 -5.494 -11.362 1.00 22.55 H new ATOM 0 HD13 LEU A 46 21.427 -4.057 -10.313 1.00 22.55 H new ATOM 0 HD21 LEU A 46 24.284 -4.398 -9.212 1.00 54.23 H new ATOM 0 HD22 LEU A 46 22.871 -4.032 -8.195 1.00 54.23 H new ATOM 0 HD23 LEU A 46 23.882 -5.451 -7.835 1.00 54.23 H new ATOM 700 N VAL A 47 20.410 -8.804 -7.248 1.00 35.20 N ATOM 701 CA VAL A 47 19.316 -9.645 -6.774 1.00 43.44 C ATOM 702 C VAL A 47 19.316 -9.740 -5.253 1.00 22.41 C ATOM 703 O VAL A 47 18.330 -9.401 -4.600 1.00 10.13 O ATOM 704 CB VAL A 47 19.402 -11.064 -7.367 1.00 50.31 C ATOM 705 CG1 VAL A 47 18.333 -11.961 -6.761 1.00 44.14 C ATOM 706 CG2 VAL A 47 19.274 -11.016 -8.882 1.00 70.42 C ATOM 0 H VAL A 47 20.991 -9.234 -7.968 1.00 35.20 H new ATOM 0 HA VAL A 47 18.389 -9.177 -7.106 1.00 43.44 H new ATOM 0 HB VAL A 47 20.377 -11.484 -7.121 1.00 50.31 H new ATOM 0 HG11 VAL A 47 18.409 -12.959 -7.192 1.00 44.14 H new ATOM 0 HG12 VAL A 47 18.476 -12.019 -5.682 1.00 44.14 H new ATOM 0 HG13 VAL A 47 17.347 -11.548 -6.975 1.00 44.14 H new ATOM 0 HG21 VAL A 47 19.337 -12.027 -9.285 1.00 70.42 H new ATOM 0 HG22 VAL A 47 18.314 -10.577 -9.152 1.00 70.42 H new ATOM 0 HG23 VAL A 47 20.080 -10.410 -9.296 1.00 70.42 H new ATOM 716 N MET A 48 20.429 -10.205 -4.695 1.00 3.54 N ATOM 717 CA MET A 48 20.558 -10.343 -3.249 1.00 22.34 C ATOM 718 C MET A 48 20.201 -9.039 -2.543 1.00 52.23 C ATOM 719 O MET A 48 19.469 -9.038 -1.554 1.00 0.31 O ATOM 720 CB MET A 48 21.983 -10.762 -2.880 1.00 34.41 C ATOM 721 CG MET A 48 22.485 -11.964 -3.664 1.00 34.12 C ATOM 722 SD MET A 48 22.900 -13.361 -2.603 1.00 20.44 S ATOM 723 CE MET A 48 24.684 -13.385 -2.757 1.00 63.22 C ATOM 0 H MET A 48 21.254 -10.492 -5.222 1.00 3.54 H new ATOM 0 HA MET A 48 19.863 -11.115 -2.920 1.00 22.34 H new ATOM 0 HB2 MET A 48 22.656 -9.921 -3.050 1.00 34.41 H new ATOM 0 HB3 MET A 48 22.021 -10.991 -1.815 1.00 34.41 H new ATOM 0 HG2 MET A 48 21.722 -12.270 -4.380 1.00 34.12 H new ATOM 0 HG3 MET A 48 23.365 -11.676 -4.240 1.00 34.12 H new ATOM 0 HE1 MET A 48 25.090 -14.198 -2.155 1.00 63.22 H new ATOM 0 HE2 MET A 48 24.957 -13.535 -3.802 1.00 63.22 H new ATOM 0 HE3 MET A 48 25.092 -12.436 -2.408 1.00 63.22 H new ATOM 733 N ALA A 49 20.722 -7.930 -3.059 1.00 23.52 N ATOM 734 CA ALA A 49 20.457 -6.620 -2.479 1.00 55.20 C ATOM 735 C ALA A 49 18.960 -6.330 -2.441 1.00 11.31 C ATOM 736 O ALA A 49 18.464 -5.692 -1.511 1.00 21.44 O ATOM 737 CB ALA A 49 21.186 -5.538 -3.262 1.00 71.43 C ATOM 0 H ALA A 49 21.330 -7.914 -3.878 1.00 23.52 H new ATOM 0 HA ALA A 49 20.827 -6.622 -1.454 1.00 55.20 H new ATOM 0 HB1 ALA A 49 20.979 -4.565 -2.817 1.00 71.43 H new ATOM 0 HB2 ALA A 49 22.259 -5.729 -3.234 1.00 71.43 H new ATOM 0 HB3 ALA A 49 20.843 -5.544 -4.297 1.00 71.43 H new ATOM 743 N LEU A 50 18.245 -6.800 -3.457 1.00 31.12 N ATOM 744 CA LEU A 50 16.804 -6.590 -3.540 1.00 34.52 C ATOM 745 C LEU A 50 16.068 -7.453 -2.519 1.00 62.12 C ATOM 746 O LEU A 50 15.360 -6.939 -1.654 1.00 25.23 O ATOM 747 CB LEU A 50 16.302 -6.909 -4.949 1.00 64.15 C ATOM 748 CG LEU A 50 16.819 -6.002 -6.067 1.00 2.04 C ATOM 749 CD1 LEU A 50 16.446 -6.567 -7.428 1.00 52.45 C ATOM 750 CD2 LEU A 50 16.272 -4.591 -5.904 1.00 25.20 C ATOM 0 H LEU A 50 18.640 -7.329 -4.235 1.00 31.12 H new ATOM 0 HA LEU A 50 16.602 -5.542 -3.317 1.00 34.52 H new ATOM 0 HB2 LEU A 50 16.576 -7.937 -5.187 1.00 64.15 H new ATOM 0 HB3 LEU A 50 15.213 -6.862 -4.944 1.00 64.15 H new ATOM 0 HG LEU A 50 17.906 -5.959 -6.001 1.00 2.04 H new ATOM 0 HD11 LEU A 50 16.822 -5.908 -8.211 1.00 52.45 H new ATOM 0 HD12 LEU A 50 16.887 -7.557 -7.544 1.00 52.45 H new ATOM 0 HD13 LEU A 50 15.361 -6.641 -7.506 1.00 52.45 H new ATOM 0 HD21 LEU A 50 16.650 -3.959 -6.708 1.00 25.20 H new ATOM 0 HD22 LEU A 50 15.183 -4.616 -5.944 1.00 25.20 H new ATOM 0 HD23 LEU A 50 16.591 -4.186 -4.944 1.00 25.20 H new ATOM 762 N GLU A 51 16.243 -8.767 -2.627 1.00 10.44 N ATOM 763 CA GLU A 51 15.596 -9.700 -1.711 1.00 45.15 C ATOM 764 C GLU A 51 15.966 -9.387 -0.264 1.00 53.23 C ATOM 765 O GLU A 51 15.265 -9.785 0.665 1.00 31.03 O ATOM 766 CB GLU A 51 15.993 -11.138 -2.051 1.00 33.43 C ATOM 767 CG GLU A 51 17.486 -11.399 -1.948 1.00 1.33 C ATOM 768 CD GLU A 51 17.899 -12.699 -2.610 1.00 53.22 C ATOM 769 OE1 GLU A 51 17.955 -12.736 -3.857 1.00 62.54 O ATOM 770 OE2 GLU A 51 18.165 -13.678 -1.883 1.00 14.05 O ATOM 0 H GLU A 51 16.826 -9.209 -3.338 1.00 10.44 H new ATOM 0 HA GLU A 51 14.517 -9.591 -1.823 1.00 45.15 H new ATOM 0 HB2 GLU A 51 15.467 -11.819 -1.382 1.00 33.43 H new ATOM 0 HB3 GLU A 51 15.662 -11.367 -3.064 1.00 33.43 H new ATOM 0 HG2 GLU A 51 18.028 -10.573 -2.409 1.00 1.33 H new ATOM 0 HG3 GLU A 51 17.775 -11.423 -0.897 1.00 1.33 H new ATOM 777 N GLU A 52 17.071 -8.671 -0.083 1.00 65.43 N ATOM 778 CA GLU A 52 17.535 -8.306 1.250 1.00 35.33 C ATOM 779 C GLU A 52 16.889 -7.003 1.713 1.00 74.42 C ATOM 780 O GLU A 52 16.178 -6.974 2.717 1.00 3.21 O ATOM 781 CB GLU A 52 19.058 -8.166 1.265 1.00 62.23 C ATOM 782 CG GLU A 52 19.623 -7.801 2.627 1.00 11.42 C ATOM 783 CD GLU A 52 21.137 -7.715 2.627 1.00 32.23 C ATOM 784 OE1 GLU A 52 21.681 -6.824 1.943 1.00 5.24 O ATOM 785 OE2 GLU A 52 21.777 -8.540 3.312 1.00 32.53 O ATOM 0 H GLU A 52 17.661 -8.332 -0.843 1.00 65.43 H new ATOM 0 HA GLU A 52 17.244 -9.100 1.937 1.00 35.33 H new ATOM 0 HB2 GLU A 52 19.504 -9.105 0.936 1.00 62.23 H new ATOM 0 HB3 GLU A 52 19.351 -7.404 0.543 1.00 62.23 H new ATOM 0 HG2 GLU A 52 19.209 -6.844 2.943 1.00 11.42 H new ATOM 0 HG3 GLU A 52 19.305 -8.544 3.359 1.00 11.42 H new ATOM 792 N GLU A 53 17.142 -5.929 0.972 1.00 12.34 N ATOM 793 CA GLU A 53 16.586 -4.623 1.307 1.00 3.25 C ATOM 794 C GLU A 53 15.067 -4.625 1.163 1.00 41.51 C ATOM 795 O GLU A 53 14.340 -4.408 2.132 1.00 12.24 O ATOM 796 CB GLU A 53 17.193 -3.541 0.412 1.00 5.43 C ATOM 797 CG GLU A 53 18.531 -3.019 0.910 1.00 63.33 C ATOM 798 CD GLU A 53 18.466 -2.514 2.338 1.00 50.22 C ATOM 799 OE1 GLU A 53 17.576 -1.690 2.636 1.00 22.22 O ATOM 800 OE2 GLU A 53 19.305 -2.943 3.157 1.00 4.42 O ATOM 0 H GLU A 53 17.728 -5.937 0.137 1.00 12.34 H new ATOM 0 HA GLU A 53 16.835 -4.406 2.346 1.00 3.25 H new ATOM 0 HB2 GLU A 53 17.321 -3.942 -0.593 1.00 5.43 H new ATOM 0 HB3 GLU A 53 16.493 -2.709 0.337 1.00 5.43 H new ATOM 0 HG2 GLU A 53 19.274 -3.814 0.843 1.00 63.33 H new ATOM 0 HG3 GLU A 53 18.867 -2.212 0.258 1.00 63.33 H new ATOM 807 N PHE A 54 14.595 -4.870 -0.055 1.00 32.03 N ATOM 808 CA PHE A 54 13.163 -4.899 -0.328 1.00 13.42 C ATOM 809 C PHE A 54 12.498 -6.077 0.378 1.00 52.13 C ATOM 810 O PHE A 54 11.272 -6.144 0.476 1.00 65.51 O ATOM 811 CB PHE A 54 12.911 -4.984 -1.835 1.00 11.23 C ATOM 812 CG PHE A 54 12.850 -3.643 -2.509 1.00 63.10 C ATOM 813 CD1 PHE A 54 11.656 -2.944 -2.584 1.00 43.00 C ATOM 814 CD2 PHE A 54 13.987 -3.082 -3.067 1.00 42.45 C ATOM 815 CE1 PHE A 54 11.598 -1.711 -3.205 1.00 12.53 C ATOM 816 CE2 PHE A 54 13.935 -1.848 -3.689 1.00 72.21 C ATOM 817 CZ PHE A 54 12.739 -1.161 -3.757 1.00 34.42 C ATOM 0 H PHE A 54 15.183 -5.051 -0.868 1.00 32.03 H new ATOM 0 HA PHE A 54 12.727 -3.976 0.055 1.00 13.42 H new ATOM 0 HB2 PHE A 54 13.702 -5.577 -2.295 1.00 11.23 H new ATOM 0 HB3 PHE A 54 11.974 -5.512 -2.009 1.00 11.23 H new ATOM 0 HD1 PHE A 54 10.761 -3.367 -2.152 1.00 43.00 H new ATOM 0 HD2 PHE A 54 14.925 -3.615 -3.016 1.00 42.45 H new ATOM 0 HE1 PHE A 54 10.661 -1.177 -3.259 1.00 12.53 H new ATOM 0 HE2 PHE A 54 14.829 -1.422 -4.121 1.00 72.21 H new ATOM 0 HZ PHE A 54 12.696 -0.196 -4.240 1.00 34.42 H new ATOM 827 N ASP A 55 13.315 -7.003 0.866 1.00 32.45 N ATOM 828 CA ASP A 55 12.807 -8.179 1.564 1.00 64.54 C ATOM 829 C ASP A 55 11.973 -9.048 0.627 1.00 32.04 C ATOM 830 O ASP A 55 10.995 -9.669 1.045 1.00 14.32 O ATOM 831 CB ASP A 55 11.970 -7.760 2.773 1.00 73.24 C ATOM 832 CG ASP A 55 11.923 -8.832 3.844 1.00 54.20 C ATOM 833 OD1 ASP A 55 12.997 -9.351 4.212 1.00 64.00 O ATOM 834 OD2 ASP A 55 10.811 -9.151 4.315 1.00 1.42 O ATOM 0 H ASP A 55 14.331 -6.963 0.792 1.00 32.45 H new ATOM 0 HA ASP A 55 13.660 -8.763 1.909 1.00 64.54 H new ATOM 0 HB2 ASP A 55 12.383 -6.845 3.197 1.00 73.24 H new ATOM 0 HB3 ASP A 55 10.955 -7.531 2.447 1.00 73.24 H new ATOM 839 N THR A 56 12.365 -9.087 -0.642 1.00 52.13 N ATOM 840 CA THR A 56 11.652 -9.877 -1.638 1.00 42.14 C ATOM 841 C THR A 56 12.226 -11.286 -1.735 1.00 53.05 C ATOM 842 O THR A 56 13.213 -11.610 -1.076 1.00 73.43 O ATOM 843 CB THR A 56 11.711 -9.214 -3.028 1.00 34.33 C ATOM 844 OG1 THR A 56 13.003 -8.635 -3.240 1.00 71.45 O ATOM 845 CG2 THR A 56 10.641 -8.141 -3.161 1.00 35.31 C ATOM 0 H THR A 56 13.173 -8.581 -1.005 1.00 52.13 H new ATOM 0 HA THR A 56 10.613 -9.932 -1.314 1.00 42.14 H new ATOM 0 HB THR A 56 11.529 -9.981 -3.780 1.00 34.33 H new ATOM 0 HG1 THR A 56 12.920 -7.858 -3.831 1.00 71.45 H new ATOM 0 HG21 THR A 56 10.702 -7.687 -4.150 1.00 35.31 H new ATOM 0 HG22 THR A 56 9.657 -8.590 -3.028 1.00 35.31 H new ATOM 0 HG23 THR A 56 10.796 -7.376 -2.400 1.00 35.31 H new ATOM 853 N GLU A 57 11.601 -12.119 -2.562 1.00 53.31 N ATOM 854 CA GLU A 57 12.050 -13.494 -2.744 1.00 45.34 C ATOM 855 C GLU A 57 12.471 -13.741 -4.190 1.00 64.41 C ATOM 856 O GLU A 57 11.673 -14.195 -5.011 1.00 24.22 O ATOM 857 CB GLU A 57 10.943 -14.473 -2.349 1.00 52.34 C ATOM 858 CG GLU A 57 10.348 -14.197 -0.979 1.00 35.42 C ATOM 859 CD GLU A 57 9.306 -15.224 -0.578 1.00 61.22 C ATOM 860 OE1 GLU A 57 8.788 -15.925 -1.473 1.00 10.35 O ATOM 861 OE2 GLU A 57 9.010 -15.327 0.631 1.00 54.13 O ATOM 0 H GLU A 57 10.783 -11.865 -3.116 1.00 53.31 H new ATOM 0 HA GLU A 57 12.914 -13.655 -2.099 1.00 45.34 H new ATOM 0 HB2 GLU A 57 10.150 -14.432 -3.095 1.00 52.34 H new ATOM 0 HB3 GLU A 57 11.343 -15.487 -2.365 1.00 52.34 H new ATOM 0 HG2 GLU A 57 11.146 -14.185 -0.236 1.00 35.42 H new ATOM 0 HG3 GLU A 57 9.895 -13.205 -0.977 1.00 35.42 H new ATOM 868 N ILE A 58 13.729 -13.439 -4.494 1.00 22.42 N ATOM 869 CA ILE A 58 14.256 -13.629 -5.839 1.00 64.54 C ATOM 870 C ILE A 58 15.257 -14.779 -5.880 1.00 70.54 C ATOM 871 O ILE A 58 16.469 -14.584 -5.794 1.00 4.32 O ATOM 872 CB ILE A 58 14.938 -12.352 -6.363 1.00 4.55 C ATOM 873 CG1 ILE A 58 14.034 -11.138 -6.142 1.00 54.50 C ATOM 874 CG2 ILE A 58 15.284 -12.501 -7.837 1.00 13.13 C ATOM 875 CD1 ILE A 58 14.570 -10.162 -5.118 1.00 31.23 C ATOM 0 H ILE A 58 14.402 -13.062 -3.827 1.00 22.42 H new ATOM 0 HA ILE A 58 13.406 -13.866 -6.479 1.00 64.54 H new ATOM 0 HB ILE A 58 15.863 -12.199 -5.808 1.00 4.55 H new ATOM 0 HG12 ILE A 58 13.899 -10.619 -7.091 1.00 54.50 H new ATOM 0 HG13 ILE A 58 13.050 -11.482 -5.824 1.00 54.50 H new ATOM 0 HG21 ILE A 58 15.765 -11.590 -8.192 1.00 13.13 H new ATOM 0 HG22 ILE A 58 15.962 -13.344 -7.968 1.00 13.13 H new ATOM 0 HG23 ILE A 58 14.373 -12.676 -8.409 1.00 13.13 H new ATOM 0 HD11 ILE A 58 13.877 -9.327 -5.014 1.00 31.23 H new ATOM 0 HD12 ILE A 58 14.679 -10.666 -4.157 1.00 31.23 H new ATOM 0 HD13 ILE A 58 15.541 -9.789 -5.444 1.00 31.23 H new ATOM 887 N PRO A 59 14.740 -16.009 -6.018 1.00 35.33 N ATOM 888 CA PRO A 59 15.570 -17.216 -6.076 1.00 43.31 C ATOM 889 C PRO A 59 16.375 -17.303 -7.368 1.00 72.55 C ATOM 890 O PRO A 59 16.430 -16.348 -8.143 1.00 0.24 O ATOM 891 CB PRO A 59 14.549 -18.354 -6.004 1.00 10.54 C ATOM 892 CG PRO A 59 13.287 -17.764 -6.533 1.00 64.54 C ATOM 893 CD PRO A 59 13.304 -16.317 -6.127 1.00 14.20 C ATOM 0 HA PRO A 59 16.311 -17.240 -5.277 1.00 43.31 H new ATOM 0 HB2 PRO A 59 14.867 -19.209 -6.600 1.00 10.54 H new ATOM 0 HB3 PRO A 59 14.422 -18.708 -4.981 1.00 10.54 H new ATOM 0 HG2 PRO A 59 13.234 -17.864 -7.617 1.00 64.54 H new ATOM 0 HG3 PRO A 59 12.416 -18.274 -6.122 1.00 64.54 H new ATOM 0 HD2 PRO A 59 12.813 -15.686 -6.868 1.00 14.20 H new ATOM 0 HD3 PRO A 59 12.786 -16.159 -5.181 1.00 14.20 H new ATOM 901 N ASP A 60 16.996 -18.455 -7.596 1.00 25.34 N ATOM 902 CA ASP A 60 17.797 -18.668 -8.796 1.00 21.32 C ATOM 903 C ASP A 60 16.917 -18.674 -10.042 1.00 22.41 C ATOM 904 O ASP A 60 17.224 -18.012 -11.033 1.00 20.24 O ATOM 905 CB ASP A 60 18.567 -19.986 -8.694 1.00 4.44 C ATOM 906 CG ASP A 60 19.645 -20.110 -9.753 1.00 12.11 C ATOM 907 OD1 ASP A 60 19.315 -19.990 -10.951 1.00 73.42 O ATOM 908 OD2 ASP A 60 20.818 -20.328 -9.384 1.00 0.32 O ATOM 0 H ASP A 60 16.960 -19.256 -6.965 1.00 25.34 H new ATOM 0 HA ASP A 60 18.508 -17.846 -8.879 1.00 21.32 H new ATOM 0 HB2 ASP A 60 19.022 -20.062 -7.706 1.00 4.44 H new ATOM 0 HB3 ASP A 60 17.870 -20.819 -8.790 1.00 4.44 H new ATOM 913 N GLU A 61 15.823 -19.428 -9.984 1.00 44.23 N ATOM 914 CA GLU A 61 14.901 -19.521 -11.110 1.00 32.14 C ATOM 915 C GLU A 61 14.439 -18.135 -11.551 1.00 62.21 C ATOM 916 O GLU A 61 14.433 -17.822 -12.741 1.00 63.20 O ATOM 917 CB GLU A 61 13.690 -20.379 -10.735 1.00 41.44 C ATOM 918 CG GLU A 61 13.003 -19.936 -9.454 1.00 64.12 C ATOM 919 CD GLU A 61 11.972 -20.936 -8.970 1.00 31.54 C ATOM 920 OE1 GLU A 61 12.239 -22.153 -9.059 1.00 71.30 O ATOM 921 OE2 GLU A 61 10.898 -20.503 -8.502 1.00 25.24 O ATOM 0 H GLU A 61 15.554 -19.982 -9.171 1.00 44.23 H new ATOM 0 HA GLU A 61 15.428 -19.991 -11.941 1.00 32.14 H new ATOM 0 HB2 GLU A 61 12.969 -20.352 -11.552 1.00 41.44 H new ATOM 0 HB3 GLU A 61 14.009 -21.415 -10.626 1.00 41.44 H new ATOM 0 HG2 GLU A 61 13.753 -19.787 -8.677 1.00 64.12 H new ATOM 0 HG3 GLU A 61 12.520 -18.973 -9.619 1.00 64.12 H new ATOM 928 N GLU A 62 14.053 -17.310 -10.583 1.00 31.22 N ATOM 929 CA GLU A 62 13.588 -15.959 -10.872 1.00 3.40 C ATOM 930 C GLU A 62 14.764 -15.027 -11.151 1.00 64.22 C ATOM 931 O GLU A 62 14.611 -13.996 -11.804 1.00 43.54 O ATOM 932 CB GLU A 62 12.762 -15.418 -9.703 1.00 22.32 C ATOM 933 CG GLU A 62 11.466 -16.177 -9.472 1.00 11.51 C ATOM 934 CD GLU A 62 10.502 -15.425 -8.574 1.00 42.34 C ATOM 935 OE1 GLU A 62 10.587 -15.591 -7.340 1.00 25.31 O ATOM 936 OE2 GLU A 62 9.663 -14.669 -9.108 1.00 34.24 O ATOM 0 H GLU A 62 14.053 -17.554 -9.592 1.00 31.22 H new ATOM 0 HA GLU A 62 12.960 -16.002 -11.762 1.00 3.40 H new ATOM 0 HB2 GLU A 62 13.363 -15.458 -8.795 1.00 22.32 H new ATOM 0 HB3 GLU A 62 12.531 -14.369 -9.887 1.00 22.32 H new ATOM 0 HG2 GLU A 62 10.987 -16.371 -10.432 1.00 11.51 H new ATOM 0 HG3 GLU A 62 11.691 -17.146 -9.027 1.00 11.51 H new ATOM 943 N ALA A 63 15.938 -15.399 -10.651 1.00 20.22 N ATOM 944 CA ALA A 63 17.140 -14.599 -10.847 1.00 4.00 C ATOM 945 C ALA A 63 17.544 -14.566 -12.317 1.00 51.12 C ATOM 946 O ALA A 63 17.942 -13.524 -12.837 1.00 71.11 O ATOM 947 CB ALA A 63 18.280 -15.141 -9.997 1.00 71.40 C ATOM 0 H ALA A 63 16.082 -16.250 -10.107 1.00 20.22 H new ATOM 0 HA ALA A 63 16.921 -13.578 -10.534 1.00 4.00 H new ATOM 0 HB1 ALA A 63 19.171 -14.534 -10.154 1.00 71.40 H new ATOM 0 HB2 ALA A 63 17.998 -15.106 -8.945 1.00 71.40 H new ATOM 0 HB3 ALA A 63 18.489 -16.172 -10.283 1.00 71.40 H new ATOM 953 N GLU A 64 17.439 -15.713 -12.981 1.00 11.10 N ATOM 954 CA GLU A 64 17.795 -15.814 -14.391 1.00 51.24 C ATOM 955 C GLU A 64 16.977 -14.836 -15.230 1.00 60.13 C ATOM 956 O GLU A 64 17.376 -14.462 -16.333 1.00 53.44 O ATOM 957 CB GLU A 64 17.576 -17.242 -14.895 1.00 32.03 C ATOM 958 CG GLU A 64 16.112 -17.600 -15.093 1.00 44.31 C ATOM 959 CD GLU A 64 15.721 -17.666 -16.557 1.00 3.14 C ATOM 960 OE1 GLU A 64 16.391 -17.008 -17.381 1.00 35.44 O ATOM 961 OE2 GLU A 64 14.745 -18.376 -16.878 1.00 23.14 O ATOM 0 H GLU A 64 17.110 -16.585 -12.565 1.00 11.10 H new ATOM 0 HA GLU A 64 18.850 -15.559 -14.492 1.00 51.24 H new ATOM 0 HB2 GLU A 64 18.104 -17.370 -15.840 1.00 32.03 H new ATOM 0 HB3 GLU A 64 18.019 -17.941 -14.186 1.00 32.03 H new ATOM 0 HG2 GLU A 64 15.910 -18.563 -14.623 1.00 44.31 H new ATOM 0 HG3 GLU A 64 15.490 -16.862 -14.587 1.00 44.31 H new ATOM 968 N LYS A 65 15.830 -14.427 -14.700 1.00 13.52 N ATOM 969 CA LYS A 65 14.954 -13.492 -15.397 1.00 62.11 C ATOM 970 C LYS A 65 15.429 -12.055 -15.206 1.00 20.34 C ATOM 971 O LYS A 65 15.256 -11.212 -16.086 1.00 71.23 O ATOM 972 CB LYS A 65 13.516 -13.636 -14.894 1.00 61.51 C ATOM 973 CG LYS A 65 13.070 -15.079 -14.732 1.00 24.41 C ATOM 974 CD LYS A 65 11.557 -15.206 -14.790 1.00 3.40 C ATOM 975 CE LYS A 65 11.076 -15.501 -16.202 1.00 64.43 C ATOM 976 NZ LYS A 65 9.643 -15.143 -16.387 1.00 11.03 N ATOM 0 H LYS A 65 15.484 -14.728 -13.789 1.00 13.52 H new ATOM 0 HA LYS A 65 14.986 -13.728 -16.461 1.00 62.11 H new ATOM 0 HB2 LYS A 65 13.422 -13.126 -13.935 1.00 61.51 H new ATOM 0 HB3 LYS A 65 12.844 -13.133 -15.590 1.00 61.51 H new ATOM 0 HG2 LYS A 65 13.517 -15.689 -15.517 1.00 24.41 H new ATOM 0 HG3 LYS A 65 13.432 -15.468 -13.780 1.00 24.41 H new ATOM 0 HD2 LYS A 65 11.232 -16.002 -14.120 1.00 3.40 H new ATOM 0 HD3 LYS A 65 11.099 -14.283 -14.434 1.00 3.40 H new ATOM 0 HE2 LYS A 65 11.684 -14.945 -16.916 1.00 64.43 H new ATOM 0 HE3 LYS A 65 11.217 -16.560 -16.420 1.00 64.43 H new ATOM 0 HZ1 LYS A 65 9.354 -15.359 -17.362 1.00 11.03 H new ATOM 0 HZ2 LYS A 65 9.060 -15.692 -15.723 1.00 11.03 H new ATOM 0 HZ3 LYS A 65 9.513 -14.127 -16.205 1.00 11.03 H new ATOM 990 N ILE A 66 16.029 -11.784 -14.051 1.00 71.05 N ATOM 991 CA ILE A 66 16.531 -10.450 -13.747 1.00 13.10 C ATOM 992 C ILE A 66 17.931 -10.246 -14.316 1.00 54.24 C ATOM 993 O ILE A 66 18.928 -10.598 -13.685 1.00 53.40 O ATOM 994 CB ILE A 66 16.564 -10.194 -12.229 1.00 10.14 C ATOM 995 CG1 ILE A 66 15.190 -10.468 -11.613 1.00 42.51 C ATOM 996 CG2 ILE A 66 17.004 -8.766 -11.942 1.00 21.12 C ATOM 997 CD1 ILE A 66 14.080 -9.640 -12.221 1.00 52.42 C ATOM 0 H ILE A 66 16.179 -12.470 -13.311 1.00 71.05 H new ATOM 0 HA ILE A 66 15.846 -9.741 -14.212 1.00 13.10 H new ATOM 0 HB ILE A 66 17.286 -10.874 -11.777 1.00 10.14 H new ATOM 0 HG12 ILE A 66 14.951 -11.525 -11.733 1.00 42.51 H new ATOM 0 HG13 ILE A 66 15.235 -10.270 -10.542 1.00 42.51 H new ATOM 0 HG21 ILE A 66 17.022 -8.600 -10.865 1.00 21.12 H new ATOM 0 HG22 ILE A 66 18.001 -8.603 -12.351 1.00 21.12 H new ATOM 0 HG23 ILE A 66 16.304 -8.070 -12.404 1.00 21.12 H new ATOM 0 HD11 ILE A 66 13.135 -9.886 -11.736 1.00 52.42 H new ATOM 0 HD12 ILE A 66 14.296 -8.581 -12.078 1.00 52.42 H new ATOM 0 HD13 ILE A 66 14.008 -9.855 -13.287 1.00 52.42 H new ATOM 1009 N THR A 67 17.999 -9.673 -15.514 1.00 53.12 N ATOM 1010 CA THR A 67 19.276 -9.421 -16.169 1.00 51.22 C ATOM 1011 C THR A 67 19.278 -8.065 -16.866 1.00 61.24 C ATOM 1012 O THR A 67 20.158 -7.773 -17.676 1.00 45.34 O ATOM 1013 CB THR A 67 19.604 -10.516 -17.201 1.00 21.51 C ATOM 1014 OG1 THR A 67 18.675 -10.459 -18.289 1.00 41.00 O ATOM 1015 CG2 THR A 67 19.557 -11.895 -16.560 1.00 21.14 C ATOM 0 H THR A 67 17.184 -9.375 -16.050 1.00 53.12 H new ATOM 0 HA THR A 67 20.038 -9.427 -15.389 1.00 51.22 H new ATOM 0 HB THR A 67 20.612 -10.340 -17.576 1.00 21.51 H new ATOM 0 HG1 THR A 67 18.892 -11.157 -18.941 1.00 41.00 H new ATOM 0 HG21 THR A 67 19.792 -12.652 -17.308 1.00 21.14 H new ATOM 0 HG22 THR A 67 20.286 -11.945 -15.751 1.00 21.14 H new ATOM 0 HG23 THR A 67 18.559 -12.077 -16.161 1.00 21.14 H new ATOM 1023 N THR A 68 18.287 -7.239 -16.547 1.00 10.33 N ATOM 1024 CA THR A 68 18.174 -5.914 -17.143 1.00 4.42 C ATOM 1025 C THR A 68 17.467 -4.946 -16.202 1.00 11.55 C ATOM 1026 O THR A 68 16.690 -5.358 -15.340 1.00 54.54 O ATOM 1027 CB THR A 68 17.411 -5.962 -18.480 1.00 30.02 C ATOM 1028 OG1 THR A 68 16.146 -6.608 -18.299 1.00 21.34 O ATOM 1029 CG2 THR A 68 18.217 -6.702 -19.537 1.00 2.42 C ATOM 0 H THR A 68 17.550 -7.465 -15.879 1.00 10.33 H new ATOM 0 HA THR A 68 19.190 -5.563 -17.325 1.00 4.42 H new ATOM 0 HB THR A 68 17.251 -4.938 -18.819 1.00 30.02 H new ATOM 0 HG1 THR A 68 15.666 -6.633 -19.153 1.00 21.34 H new ATOM 0 HG21 THR A 68 17.658 -6.723 -20.472 1.00 2.42 H new ATOM 0 HG22 THR A 68 19.167 -6.191 -19.694 1.00 2.42 H new ATOM 0 HG23 THR A 68 18.404 -7.723 -19.203 1.00 2.42 H new ATOM 1037 N VAL A 69 17.741 -3.656 -16.371 1.00 55.23 N ATOM 1038 CA VAL A 69 17.128 -2.628 -15.538 1.00 23.34 C ATOM 1039 C VAL A 69 15.612 -2.779 -15.504 1.00 54.15 C ATOM 1040 O VAL A 69 15.021 -2.968 -14.442 1.00 34.52 O ATOM 1041 CB VAL A 69 17.482 -1.215 -16.038 1.00 20.21 C ATOM 1042 CG1 VAL A 69 16.952 -0.161 -15.078 1.00 41.55 C ATOM 1043 CG2 VAL A 69 18.986 -1.075 -16.219 1.00 30.50 C ATOM 0 H VAL A 69 18.384 -3.298 -17.078 1.00 55.23 H new ATOM 0 HA VAL A 69 17.525 -2.759 -14.531 1.00 23.34 H new ATOM 0 HB VAL A 69 17.007 -1.062 -17.007 1.00 20.21 H new ATOM 0 HG11 VAL A 69 17.212 0.831 -15.447 1.00 41.55 H new ATOM 0 HG12 VAL A 69 15.868 -0.249 -15.004 1.00 41.55 H new ATOM 0 HG13 VAL A 69 17.396 -0.309 -14.094 1.00 41.55 H new ATOM 0 HG21 VAL A 69 19.218 -0.070 -16.573 1.00 30.50 H new ATOM 0 HG22 VAL A 69 19.485 -1.248 -15.265 1.00 30.50 H new ATOM 0 HG23 VAL A 69 19.334 -1.806 -16.949 1.00 30.50 H new ATOM 1053 N GLN A 70 14.988 -2.694 -16.675 1.00 43.22 N ATOM 1054 CA GLN A 70 13.540 -2.821 -16.780 1.00 15.42 C ATOM 1055 C GLN A 70 13.052 -4.085 -16.080 1.00 51.00 C ATOM 1056 O GLN A 70 12.067 -4.057 -15.342 1.00 64.22 O ATOM 1057 CB GLN A 70 13.113 -2.839 -18.249 1.00 33.54 C ATOM 1058 CG GLN A 70 11.606 -2.903 -18.444 1.00 4.34 C ATOM 1059 CD GLN A 70 10.936 -1.556 -18.254 1.00 63.23 C ATOM 1060 OE1 GLN A 70 10.575 -0.888 -19.223 1.00 73.04 O ATOM 1061 NE2 GLN A 70 10.767 -1.150 -17.002 1.00 12.15 N ATOM 0 H GLN A 70 15.463 -2.538 -17.564 1.00 43.22 H new ATOM 0 HA GLN A 70 13.089 -1.959 -16.289 1.00 15.42 H new ATOM 0 HB2 GLN A 70 13.497 -1.946 -18.741 1.00 33.54 H new ATOM 0 HB3 GLN A 70 13.571 -3.696 -18.742 1.00 33.54 H new ATOM 0 HG2 GLN A 70 11.388 -3.275 -19.445 1.00 4.34 H new ATOM 0 HG3 GLN A 70 11.182 -3.618 -17.739 1.00 4.34 H new ATOM 0 HE21 GLN A 70 11.082 -1.736 -16.229 1.00 12.15 H new ATOM 0 HE22 GLN A 70 10.322 -0.252 -16.813 1.00 12.15 H new ATOM 1070 N ALA A 71 13.747 -5.192 -16.317 1.00 63.33 N ATOM 1071 CA ALA A 71 13.386 -6.466 -15.708 1.00 60.55 C ATOM 1072 C ALA A 71 13.466 -6.390 -14.188 1.00 31.44 C ATOM 1073 O ALA A 71 12.575 -6.868 -13.485 1.00 42.42 O ATOM 1074 CB ALA A 71 14.287 -7.576 -16.231 1.00 52.45 C ATOM 0 H ALA A 71 14.564 -5.232 -16.927 1.00 63.33 H new ATOM 0 HA ALA A 71 12.355 -6.691 -15.981 1.00 60.55 H new ATOM 0 HB1 ALA A 71 14.006 -8.522 -15.767 1.00 52.45 H new ATOM 0 HB2 ALA A 71 14.177 -7.655 -17.313 1.00 52.45 H new ATOM 0 HB3 ALA A 71 15.325 -7.347 -15.988 1.00 52.45 H new ATOM 1080 N ALA A 72 14.539 -5.788 -13.685 1.00 70.34 N ATOM 1081 CA ALA A 72 14.734 -5.649 -12.248 1.00 0.04 C ATOM 1082 C ALA A 72 13.688 -4.721 -11.639 1.00 43.31 C ATOM 1083 O ALA A 72 12.927 -5.121 -10.758 1.00 21.21 O ATOM 1084 CB ALA A 72 16.135 -5.134 -11.953 1.00 21.25 C ATOM 0 H ALA A 72 15.287 -5.389 -14.252 1.00 70.34 H new ATOM 0 HA ALA A 72 14.617 -6.633 -11.794 1.00 0.04 H new ATOM 0 HB1 ALA A 72 16.267 -5.035 -10.876 1.00 21.25 H new ATOM 0 HB2 ALA A 72 16.871 -5.836 -12.346 1.00 21.25 H new ATOM 0 HB3 ALA A 72 16.272 -4.162 -12.426 1.00 21.25 H new ATOM 1090 N ILE A 73 13.657 -3.480 -12.114 1.00 22.21 N ATOM 1091 CA ILE A 73 12.704 -2.496 -11.616 1.00 43.12 C ATOM 1092 C ILE A 73 11.281 -3.042 -11.653 1.00 12.53 C ATOM 1093 O ILE A 73 10.446 -2.682 -10.823 1.00 12.14 O ATOM 1094 CB ILE A 73 12.763 -1.192 -12.433 1.00 43.24 C ATOM 1095 CG1 ILE A 73 11.949 -0.095 -11.744 1.00 4.11 C ATOM 1096 CG2 ILE A 73 12.252 -1.429 -13.847 1.00 4.13 C ATOM 1097 CD1 ILE A 73 12.666 0.545 -10.575 1.00 51.04 C ATOM 0 H ILE A 73 14.281 -3.133 -12.843 1.00 22.21 H new ATOM 0 HA ILE A 73 12.982 -2.281 -10.584 1.00 43.12 H new ATOM 0 HB ILE A 73 13.801 -0.865 -12.492 1.00 43.24 H new ATOM 0 HG12 ILE A 73 11.702 0.676 -12.474 1.00 4.11 H new ATOM 0 HG13 ILE A 73 11.007 -0.518 -11.395 1.00 4.11 H new ATOM 0 HG21 ILE A 73 12.300 -0.498 -14.412 1.00 4.13 H new ATOM 0 HG22 ILE A 73 12.870 -2.182 -14.336 1.00 4.13 H new ATOM 0 HG23 ILE A 73 11.220 -1.777 -13.807 1.00 4.13 H new ATOM 0 HD11 ILE A 73 12.030 1.313 -10.135 1.00 51.04 H new ATOM 0 HD12 ILE A 73 12.890 -0.214 -9.826 1.00 51.04 H new ATOM 0 HD13 ILE A 73 13.595 0.998 -10.922 1.00 51.04 H new ATOM 1109 N ASP A 74 11.012 -3.913 -12.619 1.00 12.32 N ATOM 1110 CA ASP A 74 9.690 -4.511 -12.762 1.00 73.32 C ATOM 1111 C ASP A 74 9.416 -5.501 -11.634 1.00 50.01 C ATOM 1112 O ASP A 74 8.399 -5.408 -10.946 1.00 41.11 O ATOM 1113 CB ASP A 74 9.569 -5.215 -14.115 1.00 11.40 C ATOM 1114 CG ASP A 74 8.155 -5.681 -14.401 1.00 11.40 C ATOM 1115 OD1 ASP A 74 7.808 -6.808 -13.991 1.00 13.41 O ATOM 1116 OD2 ASP A 74 7.396 -4.918 -15.036 1.00 34.52 O ATOM 0 H ASP A 74 11.692 -4.221 -13.315 1.00 12.32 H new ATOM 0 HA ASP A 74 8.950 -3.713 -12.708 1.00 73.32 H new ATOM 0 HB2 ASP A 74 9.891 -4.536 -14.905 1.00 11.40 H new ATOM 0 HB3 ASP A 74 10.242 -6.072 -14.137 1.00 11.40 H new ATOM 1121 N TYR A 75 10.329 -6.448 -11.451 1.00 31.32 N ATOM 1122 CA TYR A 75 10.184 -7.458 -10.409 1.00 3.35 C ATOM 1123 C TYR A 75 9.930 -6.808 -9.052 1.00 51.50 C ATOM 1124 O TYR A 75 8.940 -7.106 -8.383 1.00 43.21 O ATOM 1125 CB TYR A 75 11.437 -8.333 -10.340 1.00 74.31 C ATOM 1126 CG TYR A 75 11.259 -9.579 -9.502 1.00 4.14 C ATOM 1127 CD1 TYR A 75 11.142 -9.499 -8.119 1.00 54.54 C ATOM 1128 CD2 TYR A 75 11.211 -10.836 -10.091 1.00 73.10 C ATOM 1129 CE1 TYR A 75 10.980 -10.634 -7.349 1.00 3.10 C ATOM 1130 CE2 TYR A 75 11.048 -11.977 -9.329 1.00 1.42 C ATOM 1131 CZ TYR A 75 10.934 -11.870 -7.958 1.00 74.43 C ATOM 1132 OH TYR A 75 10.773 -13.004 -7.195 1.00 70.34 O ATOM 0 H TYR A 75 11.177 -6.538 -12.010 1.00 31.32 H new ATOM 0 HA TYR A 75 9.326 -8.082 -10.660 1.00 3.35 H new ATOM 0 HB2 TYR A 75 11.724 -8.623 -11.351 1.00 74.31 H new ATOM 0 HB3 TYR A 75 12.259 -7.745 -9.932 1.00 74.31 H new ATOM 0 HD1 TYR A 75 11.178 -8.533 -7.638 1.00 54.54 H new ATOM 0 HD2 TYR A 75 11.303 -10.923 -11.164 1.00 73.10 H new ATOM 0 HE1 TYR A 75 10.890 -10.554 -6.276 1.00 3.10 H new ATOM 0 HE2 TYR A 75 11.010 -12.946 -9.803 1.00 1.42 H new ATOM 0 HH TYR A 75 11.385 -12.973 -6.430 1.00 70.34 H new ATOM 1142 N VAL A 76 10.831 -5.916 -8.652 1.00 50.22 N ATOM 1143 CA VAL A 76 10.705 -5.221 -7.377 1.00 0.23 C ATOM 1144 C VAL A 76 9.391 -4.452 -7.297 1.00 41.33 C ATOM 1145 O VAL A 76 8.658 -4.555 -6.314 1.00 45.55 O ATOM 1146 CB VAL A 76 11.874 -4.243 -7.152 1.00 71.15 C ATOM 1147 CG1 VAL A 76 11.776 -3.600 -5.778 1.00 11.24 C ATOM 1148 CG2 VAL A 76 13.206 -4.958 -7.322 1.00 11.10 C ATOM 0 H VAL A 76 11.656 -5.658 -9.193 1.00 50.22 H new ATOM 0 HA VAL A 76 10.724 -5.984 -6.598 1.00 0.23 H new ATOM 0 HB VAL A 76 11.813 -3.453 -7.901 1.00 71.15 H new ATOM 0 HG11 VAL A 76 12.610 -2.913 -5.638 1.00 11.24 H new ATOM 0 HG12 VAL A 76 10.837 -3.052 -5.699 1.00 11.24 H new ATOM 0 HG13 VAL A 76 11.810 -4.374 -5.011 1.00 11.24 H new ATOM 0 HG21 VAL A 76 14.021 -4.253 -7.160 1.00 11.10 H new ATOM 0 HG22 VAL A 76 13.279 -5.769 -6.598 1.00 11.10 H new ATOM 0 HG23 VAL A 76 13.274 -5.365 -8.331 1.00 11.10 H new ATOM 1158 N ASN A 77 9.099 -3.681 -8.340 1.00 1.21 N ATOM 1159 CA ASN A 77 7.873 -2.893 -8.389 1.00 35.44 C ATOM 1160 C ASN A 77 6.645 -3.791 -8.264 1.00 11.41 C ATOM 1161 O ASN A 77 5.620 -3.385 -7.715 1.00 63.31 O ATOM 1162 CB ASN A 77 7.805 -2.096 -9.693 1.00 20.13 C ATOM 1163 CG ASN A 77 6.573 -1.215 -9.768 1.00 43.34 C ATOM 1164 OD1 ASN A 77 6.782 0.097 -9.740 1.00 21.30 O flip ATOM 1165 ND2 ASN A 77 5.448 -1.707 -9.852 1.00 35.54 N flip ATOM 0 H ASN A 77 9.695 -3.585 -9.162 1.00 1.21 H new ATOM 0 HA ASN A 77 7.882 -2.200 -7.548 1.00 35.44 H new ATOM 0 HB2 ASN A 77 8.697 -1.477 -9.784 1.00 20.13 H new ATOM 0 HB3 ASN A 77 7.808 -2.785 -10.538 1.00 20.13 H new ATOM 0 HD21 ASN A 77 5.335 -2.721 -9.870 1.00 35.54 H new ATOM 0 HD22 ASN A 77 4.629 -1.101 -9.903 1.00 35.54 H new ATOM 1172 N SER A 78 6.757 -5.012 -8.777 1.00 14.24 N ATOM 1173 CA SER A 78 5.655 -5.966 -8.726 1.00 0.13 C ATOM 1174 C SER A 78 5.602 -6.663 -7.370 1.00 3.04 C ATOM 1175 O SER A 78 4.537 -7.083 -6.915 1.00 44.14 O ATOM 1176 CB SER A 78 5.800 -7.004 -9.840 1.00 73.02 C ATOM 1177 OG SER A 78 4.851 -8.046 -9.692 1.00 62.54 O ATOM 0 H SER A 78 7.599 -5.364 -9.232 1.00 14.24 H new ATOM 0 HA SER A 78 4.724 -5.417 -8.869 1.00 0.13 H new ATOM 0 HB2 SER A 78 5.668 -6.523 -10.809 1.00 73.02 H new ATOM 0 HB3 SER A 78 6.807 -7.420 -9.825 1.00 73.02 H new ATOM 0 HG SER A 78 4.963 -8.696 -10.417 1.00 62.54 H new ATOM 1183 N HIS A 79 6.760 -6.783 -6.727 1.00 51.43 N ATOM 1184 CA HIS A 79 6.847 -7.428 -5.422 1.00 60.23 C ATOM 1185 C HIS A 79 6.835 -6.393 -4.302 1.00 5.40 C ATOM 1186 O HIS A 79 7.755 -6.338 -3.486 1.00 32.43 O ATOM 1187 CB HIS A 79 8.115 -8.278 -5.334 1.00 31.21 C ATOM 1188 CG HIS A 79 8.012 -9.585 -6.059 1.00 11.32 C ATOM 1189 ND1 HIS A 79 7.771 -9.677 -7.413 1.00 54.23 N ATOM 1190 CD2 HIS A 79 8.121 -10.857 -5.610 1.00 72.12 C ATOM 1191 CE1 HIS A 79 7.734 -10.949 -7.766 1.00 73.42 C ATOM 1192 NE2 HIS A 79 7.944 -11.686 -6.690 1.00 72.34 N ATOM 0 H HIS A 79 7.651 -6.442 -7.089 1.00 51.43 H new ATOM 0 HA HIS A 79 5.977 -8.074 -5.304 1.00 60.23 H new ATOM 0 HB2 HIS A 79 8.952 -7.711 -5.742 1.00 31.21 H new ATOM 0 HB3 HIS A 79 8.341 -8.471 -4.285 1.00 31.21 H new ATOM 0 HD1 HIS A 79 7.641 -8.886 -8.044 1.00 54.23 H new ATOM 0 HD2 HIS A 79 8.312 -11.163 -4.592 1.00 72.12 H new ATOM 0 HE1 HIS A 79 7.561 -11.323 -8.764 1.00 73.42 H new ATOM 1200 N GLN A 80 5.789 -5.573 -4.271 1.00 25.22 N ATOM 1201 CA GLN A 80 5.660 -4.539 -3.251 1.00 42.35 C ATOM 1202 C GLN A 80 5.759 -5.138 -1.852 1.00 51.34 C ATOM 1203 O GLN A 80 5.801 -4.414 -0.857 1.00 43.41 O ATOM 1204 CB GLN A 80 4.330 -3.800 -3.410 1.00 61.02 C ATOM 1205 CG GLN A 80 4.187 -3.085 -4.744 1.00 74.32 C ATOM 1206 CD GLN A 80 4.762 -1.683 -4.720 1.00 12.02 C ATOM 1207 OE1 GLN A 80 4.869 -1.062 -3.662 1.00 40.20 O ATOM 1208 NE2 GLN A 80 5.136 -1.176 -5.889 1.00 10.13 N ATOM 0 H GLN A 80 5.020 -5.605 -4.940 1.00 25.22 H new ATOM 0 HA GLN A 80 6.479 -3.831 -3.381 1.00 42.35 H new ATOM 0 HB2 GLN A 80 3.513 -4.513 -3.300 1.00 61.02 H new ATOM 0 HB3 GLN A 80 4.230 -3.072 -2.605 1.00 61.02 H new ATOM 0 HG2 GLN A 80 4.688 -3.666 -5.518 1.00 74.32 H new ATOM 0 HG3 GLN A 80 3.132 -3.036 -5.014 1.00 74.32 H new ATOM 0 HE21 GLN A 80 5.029 -1.726 -6.741 1.00 10.13 H new ATOM 0 HE22 GLN A 80 5.530 -0.236 -5.935 1.00 10.13 H new TER 1217 GLN A 80