USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 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 89 THR OG1 : rot 145:sc= 0.713 USER MOD Set 1.2: A 124 ASN : amide:sc= 0.551 K(o=1.3,f=-2.5) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 107:sc= 0.0114 USER MOD Single : A 12 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.12) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 34:sc= 0.141 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -123:sc= 0.157 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.107 USER MOD Single : A 87 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.58) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -140:sc= -0.164 (180deg=-0.758) USER MOD Single : A 99 ASN : amide:sc= 0.263 K(o=0.26,f=-4.1!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 109 THR OG1 : rot 36:sc= 0.0219 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 TYR OH : rot 9:sc= 0.636 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.672 X(o=-0.67,f=-1.1) USER MOD Single : A 128 SER OG : rot 30:sc= 0.0583 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 23:sc= -0.346 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 -174.052 47.065 -46.494 1.00 11.22 N ATOM 35 CA ALA A 3 -173.297 45.994 -45.851 1.00 64.33 C ATOM 36 C ALA A 3 -172.760 46.430 -44.487 1.00 13.31 C ATOM 37 O ALA A 3 -172.831 47.608 -44.126 1.00 14.14 O ATOM 38 CB ALA A 3 -172.147 45.556 -46.756 1.00 23.04 C ATOM 0 HA ALA A 3 -173.971 45.153 -45.689 1.00 64.33 H new ATOM 0 HB1 ALA A 3 -171.587 44.756 -46.271 1.00 23.04 H new ATOM 0 HB2 ALA A 3 -172.547 45.196 -47.704 1.00 23.04 H new ATOM 0 HB3 ALA A 3 -171.486 46.403 -46.940 1.00 23.04 H new ATOM 44 N ARG A 4 -172.258 45.469 -43.720 1.00 50.31 N ATOM 45 CA ARG A 4 -171.587 45.762 -42.457 1.00 31.24 C ATOM 46 C ARG A 4 -170.271 45.003 -42.390 1.00 64.35 C ATOM 47 O ARG A 4 -170.239 43.793 -42.631 1.00 33.41 O ATOM 48 CB ARG A 4 -172.469 45.389 -41.252 1.00 41.14 C ATOM 49 CG ARG A 4 -171.817 45.682 -39.895 1.00 14.13 C ATOM 50 CD ARG A 4 -172.714 45.297 -38.726 1.00 21.23 C ATOM 51 NE ARG A 4 -173.885 46.172 -38.603 1.00 1.31 N ATOM 52 CZ ARG A 4 -174.729 46.190 -37.560 1.00 43.05 C ATOM 53 NH1 ARG A 4 -174.573 45.347 -36.538 1.00 64.42 N ATOM 54 NH2 ARG A 4 -175.744 47.045 -37.556 1.00 52.45 N ATOM 0 H ARG A 4 -172.303 44.477 -43.951 1.00 50.31 H new ATOM 0 HA ARG A 4 -171.397 46.834 -42.414 1.00 31.24 H new ATOM 0 HB2 ARG A 4 -173.410 45.936 -41.319 1.00 41.14 H new ATOM 0 HB3 ARG A 4 -172.713 44.328 -41.306 1.00 41.14 H new ATOM 0 HG2 ARG A 4 -170.876 45.138 -39.822 1.00 14.13 H new ATOM 0 HG3 ARG A 4 -171.577 46.743 -39.832 1.00 14.13 H new ATOM 0 HD2 ARG A 4 -173.046 44.267 -38.852 1.00 21.23 H new ATOM 0 HD3 ARG A 4 -172.137 45.336 -37.802 1.00 21.23 H new ATOM 0 HE ARG A 4 -174.072 46.817 -39.370 1.00 1.31 H new ATOM 0 HH11 ARG A 4 -173.804 44.677 -36.542 1.00 64.42 H new ATOM 0 HH12 ARG A 4 -175.223 45.373 -35.752 1.00 64.42 H new ATOM 0 HH21 ARG A 4 -175.878 47.682 -38.342 1.00 52.45 H new ATOM 0 HH22 ARG A 4 -176.390 47.066 -36.767 1.00 52.45 H new ATOM 68 N ASP A 5 -169.197 45.717 -42.078 1.00 62.44 N ATOM 69 CA ASP A 5 -167.884 45.101 -41.914 1.00 45.20 C ATOM 70 C ASP A 5 -167.764 44.509 -40.515 1.00 52.41 C ATOM 71 O ASP A 5 -168.308 45.055 -39.554 1.00 11.43 O ATOM 72 CB ASP A 5 -166.765 46.126 -42.132 1.00 32.21 C ATOM 73 CG ASP A 5 -166.850 46.807 -43.481 1.00 21.23 C ATOM 74 OD1 ASP A 5 -166.355 46.246 -44.476 1.00 34.32 O ATOM 75 OD2 ASP A 5 -167.413 47.917 -43.549 1.00 51.23 O ATOM 0 H ASP A 5 -169.208 46.727 -41.933 1.00 62.44 H new ATOM 0 HA ASP A 5 -167.782 44.312 -42.659 1.00 45.20 H new ATOM 0 HB2 ASP A 5 -166.810 46.880 -41.346 1.00 32.21 H new ATOM 0 HB3 ASP A 5 -165.800 45.628 -42.041 1.00 32.21 H new ATOM 80 N ASN A 6 -167.066 43.396 -40.395 1.00 1.52 N ATOM 81 CA ASN A 6 -166.898 42.760 -39.097 1.00 74.14 C ATOM 82 C ASN A 6 -165.601 43.218 -38.442 1.00 21.41 C ATOM 83 O ASN A 6 -164.504 42.927 -38.926 1.00 40.10 O ATOM 84 CB ASN A 6 -166.945 41.230 -39.218 1.00 23.31 C ATOM 85 CG ASN A 6 -166.828 40.525 -37.873 1.00 53.51 C ATOM 86 OD1 ASN A 6 -165.749 40.098 -37.480 1.00 52.42 O ATOM 87 ND2 ASN A 6 -167.933 40.421 -37.156 1.00 74.10 N ATOM 0 H ASN A 6 -166.609 42.915 -41.170 1.00 1.52 H new ATOM 0 HA ASN A 6 -167.728 43.065 -38.460 1.00 74.14 H new ATOM 0 HB2 ASN A 6 -167.880 40.937 -39.696 1.00 23.31 H new ATOM 0 HB3 ASN A 6 -166.136 40.897 -39.869 1.00 23.31 H new ATOM 0 HD21 ASN A 6 -167.906 39.972 -36.240 1.00 74.10 H new ATOM 0 HD22 ASN A 6 -168.813 40.789 -37.518 1.00 74.10 H new ATOM 94 N LYS A 7 -165.745 43.955 -37.352 1.00 52.24 N ATOM 95 CA LYS A 7 -164.609 44.445 -36.592 1.00 74.50 C ATOM 96 C LYS A 7 -164.553 43.755 -35.239 1.00 51.30 C ATOM 97 O LYS A 7 -165.337 44.059 -34.332 1.00 50.52 O ATOM 98 CB LYS A 7 -164.688 45.963 -36.395 1.00 62.31 C ATOM 99 CG LYS A 7 -164.682 46.761 -37.696 1.00 13.32 C ATOM 100 CD LYS A 7 -164.732 48.258 -37.433 1.00 43.10 C ATOM 101 CE LYS A 7 -166.052 48.696 -36.825 1.00 72.20 C ATOM 102 NZ LYS A 7 -166.041 50.139 -36.489 1.00 70.22 N ATOM 0 H LYS A 7 -166.651 44.229 -36.971 1.00 52.24 H new ATOM 0 HA LYS A 7 -163.703 44.219 -37.155 1.00 74.50 H new ATOM 0 HB2 LYS A 7 -165.596 46.200 -35.840 1.00 62.31 H new ATOM 0 HB3 LYS A 7 -163.846 46.283 -35.781 1.00 62.31 H new ATOM 0 HG2 LYS A 7 -163.785 46.521 -38.267 1.00 13.32 H new ATOM 0 HG3 LYS A 7 -165.536 46.469 -38.307 1.00 13.32 H new ATOM 0 HD2 LYS A 7 -163.918 48.534 -36.763 1.00 43.10 H new ATOM 0 HD3 LYS A 7 -164.571 48.794 -38.368 1.00 43.10 H new ATOM 0 HE2 LYS A 7 -166.862 48.490 -37.524 1.00 72.20 H new ATOM 0 HE3 LYS A 7 -166.251 48.113 -35.926 1.00 72.20 H new ATOM 0 HZ1 LYS A 7 -166.957 50.406 -36.076 1.00 70.22 H new ATOM 0 HZ2 LYS A 7 -165.283 50.330 -35.803 1.00 70.22 H new ATOM 0 HZ3 LYS A 7 -165.875 50.695 -37.352 1.00 70.22 H new ATOM 116 N PHE A 8 -163.647 42.796 -35.128 1.00 55.15 N ATOM 117 CA PHE A 8 -163.441 42.078 -33.885 1.00 23.23 C ATOM 118 C PHE A 8 -161.950 42.034 -33.562 1.00 54.25 C ATOM 119 O PHE A 8 -161.146 41.546 -34.363 1.00 62.44 O ATOM 120 CB PHE A 8 -164.030 40.657 -33.984 1.00 75.03 C ATOM 121 CG PHE A 8 -163.980 39.877 -32.693 1.00 21.05 C ATOM 122 CD1 PHE A 8 -164.861 40.159 -31.661 1.00 53.21 C ATOM 123 CD2 PHE A 8 -163.057 38.854 -32.520 1.00 32.51 C ATOM 124 CE1 PHE A 8 -164.818 39.443 -30.482 1.00 43.12 C ATOM 125 CE2 PHE A 8 -163.012 38.139 -31.342 1.00 45.12 C ATOM 126 CZ PHE A 8 -163.896 38.431 -30.322 1.00 3.23 C ATOM 0 H PHE A 8 -163.040 42.497 -35.891 1.00 55.15 H new ATOM 0 HA PHE A 8 -163.957 42.597 -33.077 1.00 23.23 H new ATOM 0 HB2 PHE A 8 -165.067 40.727 -34.313 1.00 75.03 H new ATOM 0 HB3 PHE A 8 -163.489 40.104 -34.751 1.00 75.03 H new ATOM 0 HD1 PHE A 8 -165.589 40.948 -31.781 1.00 53.21 H new ATOM 0 HD2 PHE A 8 -162.367 38.616 -33.316 1.00 32.51 H new ATOM 0 HE1 PHE A 8 -165.507 39.676 -29.684 1.00 43.12 H new ATOM 0 HE2 PHE A 8 -162.285 37.350 -31.217 1.00 45.12 H new ATOM 0 HZ PHE A 8 -163.865 37.868 -29.401 1.00 3.23 H new ATOM 136 N ASN A 9 -161.582 42.553 -32.398 1.00 30.14 N ATOM 137 CA ASN A 9 -160.196 42.517 -31.949 1.00 72.32 C ATOM 138 C ASN A 9 -160.131 42.016 -30.514 1.00 52.40 C ATOM 139 O ASN A 9 -161.024 42.286 -29.710 1.00 1.55 O ATOM 140 CB ASN A 9 -159.510 43.898 -32.097 1.00 63.52 C ATOM 141 CG ASN A 9 -160.159 45.013 -31.286 1.00 54.50 C ATOM 142 OD1 ASN A 9 -161.107 45.651 -31.744 1.00 32.13 O ATOM 143 ND2 ASN A 9 -159.635 45.277 -30.098 1.00 43.25 N ATOM 0 H ASN A 9 -162.224 43.004 -31.747 1.00 30.14 H new ATOM 0 HA ASN A 9 -159.646 41.824 -32.586 1.00 72.32 H new ATOM 0 HB2 ASN A 9 -158.467 43.806 -31.796 1.00 63.52 H new ATOM 0 HB3 ASN A 9 -159.514 44.181 -33.150 1.00 63.52 H new ATOM 0 HD21 ASN A 9 -160.017 46.032 -29.528 1.00 43.25 H new ATOM 0 HD22 ASN A 9 -158.849 44.725 -29.753 1.00 43.25 H new ATOM 150 N THR A 10 -159.109 41.232 -30.213 1.00 43.50 N ATOM 151 CA THR A 10 -158.863 40.772 -28.855 1.00 23.50 C ATOM 152 C THR A 10 -157.369 40.824 -28.574 1.00 11.23 C ATOM 153 O THR A 10 -156.580 40.084 -29.172 1.00 63.02 O ATOM 154 CB THR A 10 -159.402 39.337 -28.613 1.00 62.14 C ATOM 155 OG1 THR A 10 -160.790 39.268 -28.961 1.00 21.42 O ATOM 156 CG2 THR A 10 -159.241 38.919 -27.153 1.00 30.31 C ATOM 0 H THR A 10 -158.430 40.898 -30.897 1.00 43.50 H new ATOM 0 HA THR A 10 -159.399 41.433 -28.173 1.00 23.50 H new ATOM 0 HB THR A 10 -158.822 38.659 -29.239 1.00 62.14 H new ATOM 0 HG1 THR A 10 -160.893 38.773 -29.801 1.00 21.42 H new ATOM 0 HG21 THR A 10 -159.629 37.909 -27.019 1.00 30.31 H new ATOM 0 HG22 THR A 10 -158.185 38.941 -26.882 1.00 30.31 H new ATOM 0 HG23 THR A 10 -159.794 39.608 -26.514 1.00 30.31 H new ATOM 164 N TRP A 11 -156.992 41.734 -27.691 1.00 2.14 N ATOM 165 CA TRP A 11 -155.605 41.886 -27.302 1.00 74.03 C ATOM 166 C TRP A 11 -155.309 41.006 -26.096 1.00 3.11 C ATOM 167 O TRP A 11 -155.625 41.351 -24.958 1.00 24.34 O ATOM 168 CB TRP A 11 -155.281 43.359 -27.024 1.00 74.11 C ATOM 169 CG TRP A 11 -155.572 44.255 -28.192 1.00 23.25 C ATOM 170 CD1 TRP A 11 -156.482 45.263 -28.232 1.00 63.20 C ATOM 171 CD2 TRP A 11 -154.968 44.205 -29.492 1.00 13.35 C ATOM 172 NE1 TRP A 11 -156.476 45.854 -29.467 1.00 71.34 N ATOM 173 CE2 TRP A 11 -155.553 45.229 -30.257 1.00 53.34 C ATOM 174 CE3 TRP A 11 -153.974 43.414 -30.074 1.00 65.25 C ATOM 175 CZ2 TRP A 11 -155.197 45.463 -31.586 1.00 25.13 C ATOM 176 CZ3 TRP A 11 -153.623 43.644 -31.387 1.00 61.13 C ATOM 177 CH2 TRP A 11 -154.223 44.669 -32.127 1.00 5.24 C ATOM 0 H TRP A 11 -157.633 42.380 -27.230 1.00 2.14 H new ATOM 0 HA TRP A 11 -154.963 41.563 -28.122 1.00 74.03 H new ATOM 0 HB2 TRP A 11 -155.858 43.696 -26.163 1.00 74.11 H new ATOM 0 HB3 TRP A 11 -154.228 43.449 -26.758 1.00 74.11 H new ATOM 0 HD1 TRP A 11 -157.118 45.556 -27.409 1.00 63.20 H new ATOM 0 HE1 TRP A 11 -157.066 46.636 -29.752 1.00 71.34 H new ATOM 0 HE3 TRP A 11 -153.489 42.635 -29.504 1.00 65.25 H new ATOM 0 HZ2 TRP A 11 -155.672 46.241 -32.165 1.00 25.13 H new ATOM 0 HZ3 TRP A 11 -152.872 43.023 -31.852 1.00 61.13 H new ATOM 0 HH2 TRP A 11 -153.910 44.837 -33.147 1.00 5.24 H new ATOM 188 N ASN A 12 -154.727 39.853 -26.370 1.00 43.22 N ATOM 189 CA ASN A 12 -154.485 38.848 -25.350 1.00 53.41 C ATOM 190 C ASN A 12 -153.062 38.931 -24.807 1.00 11.11 C ATOM 191 O ASN A 12 -152.140 39.377 -25.500 1.00 54.12 O ATOM 192 CB ASN A 12 -154.766 37.441 -25.901 1.00 45.33 C ATOM 193 CG ASN A 12 -154.002 37.109 -27.179 1.00 15.43 C ATOM 194 OD1 ASN A 12 -152.877 36.618 -27.133 1.00 43.01 O ATOM 195 ND2 ASN A 12 -154.627 37.332 -28.323 1.00 21.20 N ATOM 0 H ASN A 12 -154.410 39.587 -27.302 1.00 43.22 H new ATOM 0 HA ASN A 12 -155.168 39.046 -24.524 1.00 53.41 H new ATOM 0 HB2 ASN A 12 -154.512 36.706 -25.137 1.00 45.33 H new ATOM 0 HB3 ASN A 12 -155.834 37.345 -26.094 1.00 45.33 H new ATOM 0 HD21 ASN A 12 -154.175 37.095 -29.206 1.00 21.20 H new ATOM 0 HD22 ASN A 12 -155.561 37.741 -28.322 1.00 21.20 H new ATOM 202 N ASP A 13 -152.899 38.498 -23.564 1.00 22.32 N ATOM 203 CA ASP A 13 -151.594 38.463 -22.918 1.00 74.02 C ATOM 204 C ASP A 13 -151.506 37.246 -22.004 1.00 12.25 C ATOM 205 O ASP A 13 -152.529 36.673 -21.618 1.00 61.40 O ATOM 206 CB ASP A 13 -151.325 39.756 -22.118 1.00 3.12 C ATOM 207 CG ASP A 13 -152.178 39.886 -20.862 1.00 65.34 C ATOM 208 OD1 ASP A 13 -153.339 40.323 -20.968 1.00 51.45 O ATOM 209 OD2 ASP A 13 -151.682 39.560 -19.768 1.00 33.05 O ATOM 0 H ASP A 13 -153.663 38.163 -22.978 1.00 22.32 H new ATOM 0 HA ASP A 13 -150.831 38.390 -23.693 1.00 74.02 H new ATOM 0 HB2 ASP A 13 -150.272 39.787 -21.837 1.00 3.12 H new ATOM 0 HB3 ASP A 13 -151.508 40.616 -22.762 1.00 3.12 H new ATOM 214 N SER A 14 -150.285 36.846 -21.681 1.00 13.51 N ATOM 215 CA SER A 14 -150.044 35.744 -20.759 1.00 2.21 C ATOM 216 C SER A 14 -148.972 36.132 -19.746 1.00 23.11 C ATOM 217 O SER A 14 -147.997 36.804 -20.089 1.00 43.22 O ATOM 218 CB SER A 14 -149.616 34.482 -21.517 1.00 24.42 C ATOM 219 OG SER A 14 -150.654 33.999 -22.355 1.00 63.03 O ATOM 0 H SER A 14 -149.435 37.274 -22.049 1.00 13.51 H new ATOM 0 HA SER A 14 -150.974 35.530 -20.232 1.00 2.21 H new ATOM 0 HB2 SER A 14 -148.734 34.700 -22.119 1.00 24.42 H new ATOM 0 HB3 SER A 14 -149.333 33.707 -20.804 1.00 24.42 H new ATOM 0 HG SER A 14 -150.348 33.195 -22.825 1.00 63.03 H new ATOM 225 N ARG A 15 -149.168 35.725 -18.494 1.00 34.12 N ATOM 226 CA ARG A 15 -148.218 36.030 -17.427 1.00 60.22 C ATOM 227 C ARG A 15 -147.819 34.755 -16.680 1.00 64.23 C ATOM 228 O ARG A 15 -148.482 33.718 -16.811 1.00 63.40 O ATOM 229 CB ARG A 15 -148.811 37.080 -16.467 1.00 31.12 C ATOM 230 CG ARG A 15 -150.098 36.657 -15.771 1.00 60.20 C ATOM 231 CD ARG A 15 -150.702 37.805 -14.979 1.00 52.44 C ATOM 232 NE ARG A 15 -151.902 37.404 -14.237 1.00 3.13 N ATOM 233 CZ ARG A 15 -152.516 38.156 -13.311 1.00 62.12 C ATOM 234 NH1 ARG A 15 -152.078 39.383 -13.032 1.00 62.41 N ATOM 235 NH2 ARG A 15 -153.575 37.675 -12.674 1.00 50.01 N ATOM 0 H ARG A 15 -149.978 35.182 -18.193 1.00 34.12 H new ATOM 0 HA ARG A 15 -147.315 36.450 -17.870 1.00 60.22 H new ATOM 0 HB2 ARG A 15 -148.066 37.319 -15.708 1.00 31.12 H new ATOM 0 HB3 ARG A 15 -149.001 37.996 -17.026 1.00 31.12 H new ATOM 0 HG2 ARG A 15 -150.816 36.307 -16.512 1.00 60.20 H new ATOM 0 HG3 ARG A 15 -149.894 35.820 -15.104 1.00 60.20 H new ATOM 0 HD2 ARG A 15 -149.959 38.191 -14.281 1.00 52.44 H new ATOM 0 HD3 ARG A 15 -150.954 38.619 -15.659 1.00 52.44 H new ATOM 0 HE ARG A 15 -152.299 36.486 -14.440 1.00 3.13 H new ATOM 0 HH11 ARG A 15 -151.268 39.760 -13.524 1.00 62.41 H new ATOM 0 HH12 ARG A 15 -152.553 39.946 -12.326 1.00 62.41 H new ATOM 0 HH21 ARG A 15 -153.918 36.739 -12.889 1.00 50.01 H new ATOM 0 HH22 ARG A 15 -154.047 38.241 -11.969 1.00 50.01 H new ATOM 249 N GLY A 16 -146.732 34.836 -15.920 1.00 35.53 N ATOM 250 CA GLY A 16 -146.259 33.691 -15.174 1.00 73.24 C ATOM 251 C GLY A 16 -145.347 34.077 -14.031 1.00 11.52 C ATOM 252 O GLY A 16 -144.529 34.989 -14.165 1.00 12.51 O ATOM 0 H GLY A 16 -146.170 35.680 -15.809 1.00 35.53 H new ATOM 0 HA2 GLY A 16 -147.113 33.140 -14.782 1.00 73.24 H new ATOM 0 HA3 GLY A 16 -145.727 33.018 -15.847 1.00 73.24 H new ATOM 256 N ASN A 17 -145.493 33.390 -12.904 1.00 60.34 N ATOM 257 CA ASN A 17 -144.665 33.650 -11.726 1.00 11.31 C ATOM 258 C ASN A 17 -143.567 32.599 -11.610 1.00 53.22 C ATOM 259 O ASN A 17 -143.843 31.401 -11.489 1.00 55.42 O ATOM 260 CB ASN A 17 -145.512 33.672 -10.439 1.00 25.14 C ATOM 261 CG ASN A 17 -146.544 34.792 -10.422 1.00 33.40 C ATOM 262 OD1 ASN A 17 -147.680 34.605 -10.859 1.00 10.02 O ATOM 263 ND2 ASN A 17 -146.160 35.954 -9.915 1.00 32.40 N ATOM 0 H ASN A 17 -146.179 32.646 -12.778 1.00 60.34 H new ATOM 0 HA ASN A 17 -144.210 34.633 -11.848 1.00 11.31 H new ATOM 0 HB2 ASN A 17 -146.022 32.715 -10.330 1.00 25.14 H new ATOM 0 HB3 ASN A 17 -144.852 33.781 -9.579 1.00 25.14 H new ATOM 0 HD21 ASN A 17 -146.815 36.735 -9.876 1.00 32.40 H new ATOM 0 HD22 ASN A 17 -145.209 36.068 -9.563 1.00 32.40 H new ATOM 270 N TYR A 18 -142.325 33.057 -11.661 1.00 41.41 N ATOM 271 CA TYR A 18 -141.170 32.175 -11.583 1.00 41.21 C ATOM 272 C TYR A 18 -140.492 32.278 -10.226 1.00 63.13 C ATOM 273 O TYR A 18 -140.638 33.275 -9.519 1.00 32.14 O ATOM 274 CB TYR A 18 -140.179 32.479 -12.709 1.00 73.01 C ATOM 275 CG TYR A 18 -140.567 31.864 -14.033 1.00 5.45 C ATOM 276 CD1 TYR A 18 -141.507 32.461 -14.865 1.00 2.10 C ATOM 277 CD2 TYR A 18 -140.001 30.665 -14.438 1.00 31.02 C ATOM 278 CE1 TYR A 18 -141.867 31.880 -16.061 1.00 34.23 C ATOM 279 CE2 TYR A 18 -140.352 30.080 -15.636 1.00 44.55 C ATOM 280 CZ TYR A 18 -141.289 30.690 -16.441 1.00 63.22 C ATOM 281 OH TYR A 18 -141.652 30.103 -17.625 1.00 32.24 O ATOM 0 H TYR A 18 -142.090 34.045 -11.757 1.00 41.41 H new ATOM 0 HA TYR A 18 -141.522 31.151 -11.704 1.00 41.21 H new ATOM 0 HB2 TYR A 18 -140.097 33.559 -12.829 1.00 73.01 H new ATOM 0 HB3 TYR A 18 -139.192 32.114 -12.423 1.00 73.01 H new ATOM 0 HD1 TYR A 18 -141.962 33.395 -14.569 1.00 2.10 H new ATOM 0 HD2 TYR A 18 -139.273 30.181 -13.804 1.00 31.02 H new ATOM 0 HE1 TYR A 18 -142.599 32.356 -16.697 1.00 34.23 H new ATOM 0 HE2 TYR A 18 -139.896 29.150 -15.941 1.00 44.55 H new ATOM 0 HH TYR A 18 -141.150 29.270 -17.744 1.00 32.24 H new ATOM 291 N TRP A 19 -139.747 31.239 -9.883 1.00 3.43 N ATOM 292 CA TRP A 19 -139.160 31.084 -8.559 1.00 33.31 C ATOM 293 C TRP A 19 -137.682 30.707 -8.654 1.00 2.00 C ATOM 294 O TRP A 19 -137.211 30.289 -9.718 1.00 24.35 O ATOM 295 CB TRP A 19 -139.946 30.022 -7.756 1.00 5.13 C ATOM 296 CG TRP A 19 -140.282 28.771 -8.528 1.00 71.14 C ATOM 297 CD1 TRP A 19 -141.449 28.520 -9.184 1.00 75.43 C ATOM 298 CD2 TRP A 19 -139.452 27.616 -8.737 1.00 33.22 C ATOM 299 NE1 TRP A 19 -141.399 27.292 -9.784 1.00 11.24 N ATOM 300 CE2 TRP A 19 -140.193 26.715 -9.521 1.00 72.32 C ATOM 301 CE3 TRP A 19 -138.166 27.254 -8.339 1.00 45.21 C ATOM 302 CZ2 TRP A 19 -139.685 25.483 -9.923 1.00 61.34 C ATOM 303 CZ3 TRP A 19 -137.667 26.032 -8.729 1.00 12.24 C ATOM 304 CH2 TRP A 19 -138.429 25.156 -9.512 1.00 20.04 C ATOM 0 H TRP A 19 -139.530 30.473 -10.520 1.00 3.43 H new ATOM 0 HA TRP A 19 -139.224 32.039 -8.037 1.00 33.31 H new ATOM 0 HB2 TRP A 19 -139.363 29.745 -6.878 1.00 5.13 H new ATOM 0 HB3 TRP A 19 -140.872 30.470 -7.396 1.00 5.13 H new ATOM 0 HD1 TRP A 19 -142.292 29.194 -9.225 1.00 75.43 H new ATOM 0 HE1 TRP A 19 -142.146 26.875 -10.340 1.00 11.24 H new ATOM 0 HE3 TRP A 19 -137.571 27.922 -7.734 1.00 45.21 H new ATOM 0 HZ2 TRP A 19 -140.266 24.811 -10.538 1.00 61.34 H new ATOM 0 HZ3 TRP A 19 -136.671 25.744 -8.426 1.00 12.24 H new ATOM 0 HH2 TRP A 19 -138.012 24.201 -9.796 1.00 20.04 H new ATOM 315 N SER A 20 -136.964 30.860 -7.537 1.00 71.53 N ATOM 316 CA SER A 20 -135.566 30.430 -7.431 1.00 64.52 C ATOM 317 C SER A 20 -135.191 30.219 -5.965 1.00 2.14 C ATOM 318 O SER A 20 -135.280 31.143 -5.149 1.00 42.52 O ATOM 319 CB SER A 20 -134.614 31.445 -8.082 1.00 53.41 C ATOM 320 OG SER A 20 -134.856 32.759 -7.608 1.00 71.13 O ATOM 0 H SER A 20 -137.333 31.283 -6.685 1.00 71.53 H new ATOM 0 HA SER A 20 -135.464 29.486 -7.967 1.00 64.52 H new ATOM 0 HB2 SER A 20 -133.582 31.165 -7.871 1.00 53.41 H new ATOM 0 HB3 SER A 20 -134.737 31.419 -9.165 1.00 53.41 H new ATOM 0 HG SER A 20 -135.127 32.723 -6.667 1.00 71.13 H new ATOM 326 N ASP A 21 -134.783 29.000 -5.645 1.00 63.11 N ATOM 327 CA ASP A 21 -134.405 28.622 -4.284 1.00 50.54 C ATOM 328 C ASP A 21 -132.969 28.110 -4.246 1.00 14.34 C ATOM 329 O ASP A 21 -132.355 27.878 -5.289 1.00 61.05 O ATOM 330 CB ASP A 21 -135.379 27.580 -3.709 1.00 5.32 C ATOM 331 CG ASP A 21 -135.578 26.362 -4.597 1.00 65.45 C ATOM 332 OD1 ASP A 21 -136.470 26.400 -5.465 1.00 50.22 O ATOM 333 OD2 ASP A 21 -134.875 25.360 -4.412 1.00 63.40 O ATOM 0 H ASP A 21 -134.703 28.240 -6.321 1.00 63.11 H new ATOM 0 HA ASP A 21 -134.464 29.512 -3.657 1.00 50.54 H new ATOM 0 HB2 ASP A 21 -135.011 27.252 -2.737 1.00 5.32 H new ATOM 0 HB3 ASP A 21 -136.345 28.055 -3.540 1.00 5.32 H new ATOM 338 N TYR A 22 -132.443 27.930 -3.040 1.00 22.32 N ATOM 339 CA TYR A 22 -131.011 27.687 -2.844 1.00 53.52 C ATOM 340 C TYR A 22 -130.743 26.279 -2.307 1.00 22.30 C ATOM 341 O TYR A 22 -131.667 25.494 -2.117 1.00 34.01 O ATOM 342 CB TYR A 22 -130.435 28.742 -1.882 1.00 1.12 C ATOM 343 CG TYR A 22 -130.733 30.176 -2.287 1.00 54.23 C ATOM 344 CD1 TYR A 22 -130.036 30.796 -3.317 1.00 20.44 C ATOM 345 CD2 TYR A 22 -131.734 30.902 -1.648 1.00 73.12 C ATOM 346 CE1 TYR A 22 -130.329 32.092 -3.698 1.00 63.22 C ATOM 347 CE2 TYR A 22 -132.026 32.198 -2.023 1.00 42.41 C ATOM 348 CZ TYR A 22 -131.323 32.786 -3.051 1.00 75.12 C ATOM 349 OH TYR A 22 -131.630 34.068 -3.440 1.00 32.54 O ATOM 0 H TYR A 22 -132.986 27.947 -2.177 1.00 22.32 H new ATOM 0 HA TYR A 22 -130.519 27.766 -3.813 1.00 53.52 H new ATOM 0 HB2 TYR A 22 -130.836 28.566 -0.884 1.00 1.12 H new ATOM 0 HB3 TYR A 22 -129.355 28.610 -1.819 1.00 1.12 H new ATOM 0 HD1 TYR A 22 -129.253 30.256 -3.828 1.00 20.44 H new ATOM 0 HD2 TYR A 22 -132.292 30.443 -0.845 1.00 73.12 H new ATOM 0 HE1 TYR A 22 -129.778 32.558 -4.502 1.00 63.22 H new ATOM 0 HE2 TYR A 22 -132.802 32.748 -1.512 1.00 42.41 H new ATOM 0 HH TYR A 22 -132.356 34.415 -2.881 1.00 32.54 H new ATOM 848 N PRO A 59 -21.442 -0.952 13.994 1.00 12.42 N ATOM 849 CA PRO A 59 -20.534 -2.008 13.549 1.00 11.32 C ATOM 850 C PRO A 59 -19.082 -1.537 13.451 1.00 52.53 C ATOM 851 O PRO A 59 -18.778 -0.347 13.590 1.00 63.05 O ATOM 852 CB PRO A 59 -21.067 -2.396 12.159 1.00 20.24 C ATOM 853 CG PRO A 59 -22.202 -1.466 11.863 1.00 53.11 C ATOM 854 CD PRO A 59 -22.115 -0.331 12.846 1.00 64.24 C ATOM 0 HA PRO A 59 -20.515 -2.837 14.256 1.00 11.32 H new ATOM 0 HB2 PRO A 59 -20.285 -2.306 11.405 1.00 20.24 H new ATOM 0 HB3 PRO A 59 -21.402 -3.433 12.148 1.00 20.24 H new ATOM 0 HG2 PRO A 59 -22.138 -1.095 10.840 1.00 53.11 H new ATOM 0 HG3 PRO A 59 -23.157 -1.983 11.956 1.00 53.11 H new ATOM 0 HD2 PRO A 59 -21.545 0.508 12.447 1.00 64.24 H new ATOM 0 HD3 PRO A 59 -23.101 0.051 13.112 1.00 64.24 H new ATOM 862 N VAL A 60 -18.193 -2.480 13.192 1.00 43.02 N ATOM 863 CA VAL A 60 -16.775 -2.184 13.105 1.00 52.34 C ATOM 864 C VAL A 60 -16.382 -1.845 11.657 1.00 73.10 C ATOM 865 O VAL A 60 -16.808 -2.507 10.712 1.00 24.32 O ATOM 866 CB VAL A 60 -15.922 -3.359 13.684 1.00 32.33 C ATOM 867 CG1 VAL A 60 -16.181 -4.676 12.956 1.00 2.42 C ATOM 868 CG2 VAL A 60 -14.439 -3.034 13.677 1.00 1.45 C ATOM 0 H VAL A 60 -18.430 -3.460 13.038 1.00 43.02 H new ATOM 0 HA VAL A 60 -16.565 -1.306 13.715 1.00 52.34 H new ATOM 0 HB VAL A 60 -16.240 -3.484 14.719 1.00 32.33 H new ATOM 0 HG11 VAL A 60 -15.565 -5.461 13.395 1.00 2.42 H new ATOM 0 HG12 VAL A 60 -17.233 -4.944 13.052 1.00 2.42 H new ATOM 0 HG13 VAL A 60 -15.930 -4.564 11.901 1.00 2.42 H new ATOM 0 HG21 VAL A 60 -13.880 -3.875 14.087 1.00 1.45 H new ATOM 0 HG22 VAL A 60 -14.113 -2.845 12.654 1.00 1.45 H new ATOM 0 HG23 VAL A 60 -14.258 -2.148 14.285 1.00 1.45 H new ATOM 878 N LEU A 61 -15.648 -0.755 11.482 1.00 45.13 N ATOM 879 CA LEU A 61 -15.062 -0.426 10.184 1.00 33.33 C ATOM 880 C LEU A 61 -13.589 -0.867 10.158 1.00 12.25 C ATOM 881 O LEU A 61 -12.980 -1.014 11.220 1.00 14.33 O ATOM 882 CB LEU A 61 -15.235 1.085 9.772 1.00 51.23 C ATOM 883 CG LEU A 61 -15.145 2.242 10.820 1.00 32.31 C ATOM 884 CD1 LEU A 61 -16.415 2.367 11.656 1.00 70.43 C ATOM 885 CD2 LEU A 61 -13.937 2.114 11.729 1.00 61.31 C ATOM 0 H LEU A 61 -15.442 -0.082 12.220 1.00 45.13 H new ATOM 0 HA LEU A 61 -15.617 -0.981 9.427 1.00 33.33 H new ATOM 0 HB2 LEU A 61 -14.484 1.292 9.010 1.00 51.23 H new ATOM 0 HB3 LEU A 61 -16.209 1.171 9.291 1.00 51.23 H new ATOM 0 HG LEU A 61 -15.030 3.154 10.234 1.00 32.31 H new ATOM 0 HD11 LEU A 61 -16.303 3.184 12.369 1.00 70.43 H new ATOM 0 HD12 LEU A 61 -17.263 2.570 11.002 1.00 70.43 H new ATOM 0 HD13 LEU A 61 -16.588 1.436 12.196 1.00 70.43 H new ATOM 0 HD21 LEU A 61 -13.924 2.943 12.436 1.00 61.31 H new ATOM 0 HD22 LEU A 61 -13.991 1.172 12.275 1.00 61.31 H new ATOM 0 HD23 LEU A 61 -13.027 2.135 11.130 1.00 61.31 H new ATOM 897 N PRO A 62 -12.988 -1.136 8.971 1.00 20.31 N ATOM 898 CA PRO A 62 -11.572 -1.506 8.887 1.00 64.42 C ATOM 899 C PRO A 62 -10.609 -0.337 9.078 1.00 71.32 C ATOM 900 O PRO A 62 -11.010 0.815 9.259 1.00 23.24 O ATOM 901 CB PRO A 62 -11.396 -2.026 7.472 1.00 4.55 C ATOM 902 CG PRO A 62 -12.485 -1.383 6.681 1.00 74.45 C ATOM 903 CD PRO A 62 -13.627 -1.156 7.634 1.00 11.12 C ATOM 0 HA PRO A 62 -11.341 -2.219 9.678 1.00 64.42 H new ATOM 0 HB2 PRO A 62 -10.415 -1.765 7.076 1.00 4.55 H new ATOM 0 HB3 PRO A 62 -11.474 -3.113 7.439 1.00 4.55 H new ATOM 0 HG2 PRO A 62 -12.147 -0.441 6.249 1.00 74.45 H new ATOM 0 HG3 PRO A 62 -12.792 -2.021 5.853 1.00 74.45 H new ATOM 0 HD2 PRO A 62 -14.140 -0.218 7.424 1.00 11.12 H new ATOM 0 HD3 PRO A 62 -14.371 -1.949 7.560 1.00 11.12 H new ATOM 911 N THR A 63 -9.332 -0.669 9.030 1.00 35.43 N ATOM 912 CA THR A 63 -8.260 0.289 9.025 1.00 52.15 C ATOM 913 C THR A 63 -7.147 -0.259 8.138 1.00 20.21 C ATOM 914 O THR A 63 -6.639 -1.350 8.387 1.00 73.35 O ATOM 915 CB THR A 63 -7.722 0.567 10.450 1.00 11.15 C ATOM 916 OG1 THR A 63 -8.727 1.206 11.247 1.00 41.20 O ATOM 917 CG2 THR A 63 -6.492 1.447 10.396 1.00 33.04 C ATOM 0 H THR A 63 -9.012 -1.637 8.993 1.00 35.43 H new ATOM 0 HA THR A 63 -8.632 1.239 8.641 1.00 52.15 H new ATOM 0 HB THR A 63 -7.456 -0.389 10.901 1.00 11.15 H new ATOM 0 HG1 THR A 63 -8.374 1.374 12.146 1.00 41.20 H new ATOM 0 HG21 THR A 63 -6.131 1.630 11.408 1.00 33.04 H new ATOM 0 HG22 THR A 63 -5.714 0.950 9.817 1.00 33.04 H new ATOM 0 HG23 THR A 63 -6.744 2.397 9.924 1.00 33.04 H new ATOM 925 N ALA A 64 -6.805 0.473 7.088 1.00 54.23 N ATOM 926 CA ALA A 64 -5.698 0.100 6.240 1.00 21.52 C ATOM 927 C ALA A 64 -4.411 0.644 6.823 1.00 23.01 C ATOM 928 O ALA A 64 -4.298 1.839 7.101 1.00 63.41 O ATOM 929 CB ALA A 64 -5.902 0.606 4.830 1.00 63.52 C ATOM 0 H ALA A 64 -7.283 1.329 6.808 1.00 54.23 H new ATOM 0 HA ALA A 64 -5.639 -0.987 6.194 1.00 21.52 H new ATOM 0 HB1 ALA A 64 -5.054 0.312 4.212 1.00 63.52 H new ATOM 0 HB2 ALA A 64 -6.817 0.179 4.419 1.00 63.52 H new ATOM 0 HB3 ALA A 64 -5.983 1.693 4.842 1.00 63.52 H new ATOM 935 N ARG A 65 -3.472 -0.250 7.050 1.00 51.30 N ATOM 936 CA ARG A 65 -2.186 0.085 7.639 1.00 72.21 C ATOM 937 C ARG A 65 -1.098 -0.706 6.935 1.00 44.54 C ATOM 938 O ARG A 65 -1.303 -1.876 6.608 1.00 53.01 O ATOM 939 CB ARG A 65 -2.174 -0.242 9.143 1.00 21.11 C ATOM 940 CG ARG A 65 -2.827 0.792 10.047 1.00 63.14 C ATOM 941 CD ARG A 65 -2.038 2.085 10.068 1.00 24.44 C ATOM 942 NE ARG A 65 -2.550 3.046 11.037 1.00 51.45 N ATOM 943 CZ ARG A 65 -2.088 4.293 11.182 1.00 52.41 C ATOM 944 NH1 ARG A 65 -1.158 4.771 10.352 1.00 32.21 N ATOM 945 NH2 ARG A 65 -2.570 5.061 12.136 1.00 72.13 N ATOM 0 H ARG A 65 -3.578 -1.240 6.830 1.00 51.30 H new ATOM 0 HA ARG A 65 -2.008 1.154 7.519 1.00 72.21 H new ATOM 0 HB2 ARG A 65 -2.676 -1.198 9.292 1.00 21.11 H new ATOM 0 HB3 ARG A 65 -1.139 -0.373 9.460 1.00 21.11 H new ATOM 0 HG2 ARG A 65 -3.842 0.989 9.703 1.00 63.14 H new ATOM 0 HG3 ARG A 65 -2.905 0.395 11.059 1.00 63.14 H new ATOM 0 HD2 ARG A 65 -0.996 1.865 10.298 1.00 24.44 H new ATOM 0 HD3 ARG A 65 -2.058 2.533 9.074 1.00 24.44 H new ATOM 0 HE ARG A 65 -3.312 2.747 11.646 1.00 51.45 H new ATOM 0 HH11 ARG A 65 -0.795 4.184 9.601 1.00 32.21 H new ATOM 0 HH12 ARG A 65 -0.811 5.723 10.469 1.00 32.21 H new ATOM 0 HH21 ARG A 65 -3.293 4.705 12.761 1.00 72.13 H new ATOM 0 HH22 ARG A 65 -2.221 6.012 12.250 1.00 72.13 H new ATOM 959 N PHE A 66 0.022 -0.056 6.661 1.00 10.34 N ATOM 960 CA PHE A 66 1.207 -0.725 6.129 1.00 22.14 C ATOM 961 C PHE A 66 2.443 0.127 6.374 1.00 64.12 C ATOM 962 O PHE A 66 2.349 1.356 6.462 1.00 11.51 O ATOM 963 CB PHE A 66 1.067 -1.064 4.620 1.00 51.31 C ATOM 964 CG PHE A 66 0.979 0.110 3.674 1.00 45.23 C ATOM 965 CD1 PHE A 66 -0.190 0.847 3.555 1.00 40.10 C ATOM 966 CD2 PHE A 66 2.066 0.467 2.893 1.00 40.31 C ATOM 967 CE1 PHE A 66 -0.270 1.910 2.684 1.00 71.04 C ATOM 968 CE2 PHE A 66 1.988 1.528 2.018 1.00 42.13 C ATOM 969 CZ PHE A 66 0.819 2.250 1.914 1.00 51.55 C ATOM 0 H PHE A 66 0.139 0.948 6.799 1.00 10.34 H new ATOM 0 HA PHE A 66 1.312 -1.672 6.658 1.00 22.14 H new ATOM 0 HB2 PHE A 66 1.920 -1.676 4.327 1.00 51.31 H new ATOM 0 HB3 PHE A 66 0.175 -1.676 4.489 1.00 51.31 H new ATOM 0 HD1 PHE A 66 -1.049 0.583 4.154 1.00 40.10 H new ATOM 0 HD2 PHE A 66 2.986 -0.093 2.971 1.00 40.31 H new ATOM 0 HE1 PHE A 66 -1.186 2.476 2.605 1.00 71.04 H new ATOM 0 HE2 PHE A 66 2.843 1.794 1.414 1.00 42.13 H new ATOM 0 HZ PHE A 66 0.757 3.082 1.229 1.00 51.55 H new ATOM 979 N THR A 67 3.594 -0.510 6.502 1.00 72.01 N ATOM 980 CA THR A 67 4.842 0.228 6.529 1.00 14.11 C ATOM 981 C THR A 67 5.654 -0.096 5.273 1.00 63.44 C ATOM 982 O THR A 67 5.586 -1.213 4.740 1.00 44.31 O ATOM 983 CB THR A 67 5.660 -0.011 7.835 1.00 0.14 C ATOM 984 OG1 THR A 67 6.808 0.850 7.874 1.00 70.02 O ATOM 985 CG2 THR A 67 6.109 -1.460 7.987 1.00 41.52 C ATOM 0 H THR A 67 3.689 -1.522 6.588 1.00 72.01 H new ATOM 0 HA THR A 67 4.605 1.292 6.531 1.00 14.11 H new ATOM 0 HB THR A 67 4.994 0.220 8.666 1.00 0.14 H new ATOM 0 HG1 THR A 67 7.310 0.689 8.700 1.00 70.02 H new ATOM 0 HG21 THR A 67 6.674 -1.571 8.912 1.00 41.52 H new ATOM 0 HG22 THR A 67 5.235 -2.111 8.015 1.00 41.52 H new ATOM 0 HG23 THR A 67 6.739 -1.736 7.142 1.00 41.52 H new ATOM 993 N SER A 68 6.378 0.899 4.788 1.00 2.15 N ATOM 994 CA SER A 68 7.141 0.780 3.557 1.00 70.04 C ATOM 995 C SER A 68 8.598 0.420 3.866 1.00 10.03 C ATOM 996 O SER A 68 9.007 0.395 5.032 1.00 14.21 O ATOM 997 CB SER A 68 7.048 2.111 2.796 1.00 0.44 C ATOM 998 OG SER A 68 7.593 2.029 1.486 1.00 25.31 O ATOM 0 H SER A 68 6.453 1.812 5.237 1.00 2.15 H new ATOM 0 HA SER A 68 6.732 -0.018 2.938 1.00 70.04 H new ATOM 0 HB2 SER A 68 6.004 2.417 2.733 1.00 0.44 H new ATOM 0 HB3 SER A 68 7.574 2.884 3.357 1.00 0.44 H new ATOM 0 HG SER A 68 8.296 2.703 1.382 1.00 25.31 H new ATOM 1004 N ASP A 69 9.359 0.113 2.812 1.00 54.42 N ATOM 1005 CA ASP A 69 10.804 -0.081 2.907 1.00 21.14 C ATOM 1006 C ASP A 69 11.468 1.253 3.234 1.00 55.30 C ATOM 1007 O ASP A 69 12.093 1.410 4.284 1.00 41.13 O ATOM 1008 CB ASP A 69 11.343 -0.601 1.566 1.00 31.50 C ATOM 1009 CG ASP A 69 12.707 -1.277 1.651 1.00 42.12 C ATOM 1010 OD1 ASP A 69 13.614 -0.782 2.359 1.00 30.23 O ATOM 1011 OD2 ASP A 69 12.867 -2.337 1.012 1.00 13.31 O ATOM 0 H ASP A 69 8.988 -0.008 1.869 1.00 54.42 H new ATOM 0 HA ASP A 69 11.024 -0.805 3.691 1.00 21.14 H new ATOM 0 HB2 ASP A 69 10.626 -1.309 1.151 1.00 31.50 H new ATOM 0 HB3 ASP A 69 11.408 0.233 0.867 1.00 31.50 H new ATOM 1016 N ILE A 70 11.313 2.203 2.311 1.00 53.20 N ATOM 1017 CA ILE A 70 11.862 3.542 2.461 1.00 12.40 C ATOM 1018 C ILE A 70 10.815 4.601 2.117 1.00 44.21 C ATOM 1019 O ILE A 70 9.780 4.295 1.520 1.00 2.32 O ATOM 1020 CB ILE A 70 13.157 3.754 1.594 1.00 31.04 C ATOM 1021 CG1 ILE A 70 13.022 3.193 0.159 1.00 72.21 C ATOM 1022 CG2 ILE A 70 14.372 3.138 2.276 1.00 50.43 C ATOM 1023 CD1 ILE A 70 12.516 4.186 -0.874 1.00 14.14 C ATOM 0 H ILE A 70 10.802 2.061 1.440 1.00 53.20 H new ATOM 0 HA ILE A 70 12.146 3.652 3.507 1.00 12.40 H new ATOM 0 HB ILE A 70 13.292 4.832 1.509 1.00 31.04 H new ATOM 0 HG12 ILE A 70 13.995 2.821 -0.163 1.00 72.21 H new ATOM 0 HG13 ILE A 70 12.346 2.338 0.181 1.00 72.21 H new ATOM 0 HG21 ILE A 70 15.256 3.297 1.658 1.00 50.43 H new ATOM 0 HG22 ILE A 70 14.520 3.607 3.249 1.00 50.43 H new ATOM 0 HG23 ILE A 70 14.211 2.068 2.410 1.00 50.43 H new ATOM 0 HD11 ILE A 70 12.456 3.699 -1.847 1.00 14.14 H new ATOM 0 HD12 ILE A 70 11.527 4.541 -0.584 1.00 14.14 H new ATOM 0 HD13 ILE A 70 13.202 5.031 -0.933 1.00 14.14 H new ATOM 1035 N THR A 71 11.094 5.832 2.509 1.00 4.23 N ATOM 1036 CA THR A 71 10.257 6.970 2.144 1.00 5.31 C ATOM 1037 C THR A 71 10.953 7.782 1.058 1.00 44.12 C ATOM 1038 O THR A 71 10.305 8.396 0.214 1.00 70.34 O ATOM 1039 CB THR A 71 9.947 7.870 3.360 1.00 31.42 C ATOM 1040 OG1 THR A 71 11.133 8.067 4.141 1.00 43.12 O ATOM 1041 CG2 THR A 71 8.859 7.262 4.229 1.00 13.22 C ATOM 0 H THR A 71 11.900 6.074 3.085 1.00 4.23 H new ATOM 0 HA THR A 71 9.307 6.586 1.772 1.00 5.31 H new ATOM 0 HB THR A 71 9.593 8.831 2.986 1.00 31.42 H new ATOM 0 HG1 THR A 71 10.928 8.640 4.909 1.00 43.12 H new ATOM 0 HG21 THR A 71 8.662 7.918 5.077 1.00 13.22 H new ATOM 0 HG22 THR A 71 7.948 7.144 3.642 1.00 13.22 H new ATOM 0 HG23 THR A 71 9.185 6.287 4.592 1.00 13.22 H new ATOM 1049 N GLU A 72 12.288 7.734 1.082 1.00 11.34 N ATOM 1050 CA GLU A 72 13.130 8.404 0.100 1.00 31.43 C ATOM 1051 C GLU A 72 14.447 7.633 -0.036 1.00 33.12 C ATOM 1052 O GLU A 72 15.105 7.326 0.963 1.00 13.04 O ATOM 1053 CB GLU A 72 13.409 9.851 0.510 1.00 53.54 C ATOM 1054 CG GLU A 72 14.146 10.671 -0.544 1.00 52.11 C ATOM 1055 CD GLU A 72 14.529 12.039 -0.038 1.00 52.43 C ATOM 1056 OE1 GLU A 72 15.580 12.160 0.616 1.00 2.54 O ATOM 1057 OE2 GLU A 72 13.781 12.997 -0.282 1.00 64.51 O ATOM 0 H GLU A 72 12.814 7.224 1.791 1.00 11.34 H new ATOM 0 HA GLU A 72 12.609 8.423 -0.857 1.00 31.43 H new ATOM 0 HB2 GLU A 72 12.462 10.341 0.738 1.00 53.54 H new ATOM 0 HB3 GLU A 72 13.996 9.849 1.428 1.00 53.54 H new ATOM 0 HG2 GLU A 72 15.044 10.136 -0.855 1.00 52.11 H new ATOM 0 HG3 GLU A 72 13.515 10.776 -1.427 1.00 52.11 H new ATOM 1064 N GLY A 73 14.809 7.305 -1.262 1.00 75.53 N ATOM 1065 CA GLY A 73 16.025 6.558 -1.512 1.00 42.35 C ATOM 1066 C GLY A 73 16.030 6.022 -2.915 1.00 12.14 C ATOM 1067 O GLY A 73 15.092 6.268 -3.654 1.00 4.15 O ATOM 0 H GLY A 73 14.278 7.544 -2.099 1.00 75.53 H new ATOM 0 HA2 GLY A 73 16.892 7.200 -1.358 1.00 42.35 H new ATOM 0 HA3 GLY A 73 16.107 5.736 -0.801 1.00 42.35 H new ATOM 1071 N PHE A 74 17.068 5.274 -3.279 1.00 50.10 N ATOM 1072 CA PHE A 74 17.204 4.743 -4.642 1.00 24.52 C ATOM 1073 C PHE A 74 16.206 3.599 -4.868 1.00 52.23 C ATOM 1074 O PHE A 74 15.945 2.830 -3.935 1.00 60.54 O ATOM 1075 CB PHE A 74 18.654 4.270 -4.914 1.00 42.22 C ATOM 1076 CG PHE A 74 19.195 3.227 -3.951 1.00 50.34 C ATOM 1077 CD1 PHE A 74 19.791 3.604 -2.754 1.00 55.13 C ATOM 1078 CD2 PHE A 74 19.114 1.870 -4.249 1.00 11.41 C ATOM 1079 CE1 PHE A 74 20.288 2.658 -1.880 1.00 34.14 C ATOM 1080 CE2 PHE A 74 19.608 0.922 -3.376 1.00 1.14 C ATOM 1081 CZ PHE A 74 20.195 1.316 -2.192 1.00 4.10 C ATOM 0 H PHE A 74 17.831 5.019 -2.652 1.00 50.10 H new ATOM 0 HA PHE A 74 16.979 5.545 -5.346 1.00 24.52 H new ATOM 0 HB2 PHE A 74 18.701 3.865 -5.925 1.00 42.22 H new ATOM 0 HB3 PHE A 74 19.312 5.139 -4.888 1.00 42.22 H new ATOM 0 HD1 PHE A 74 19.867 4.652 -2.504 1.00 55.13 H new ATOM 0 HD2 PHE A 74 18.658 1.554 -5.176 1.00 11.41 H new ATOM 0 HE1 PHE A 74 20.749 2.967 -0.953 1.00 34.14 H new ATOM 0 HE2 PHE A 74 19.535 -0.128 -3.620 1.00 1.14 H new ATOM 0 HZ PHE A 74 20.582 0.575 -1.509 1.00 4.10 H new ATOM 1091 N ALA A 75 15.615 3.560 -6.079 1.00 72.41 N ATOM 1092 CA ALA A 75 14.680 2.496 -6.507 1.00 14.03 C ATOM 1093 C ALA A 75 15.254 1.079 -6.316 1.00 62.51 C ATOM 1094 O ALA A 75 16.226 0.699 -6.973 1.00 21.35 O ATOM 1095 CB ALA A 75 14.292 2.707 -7.968 1.00 13.13 C ATOM 0 H ALA A 75 15.773 4.270 -6.794 1.00 72.41 H new ATOM 0 HA ALA A 75 13.800 2.569 -5.869 1.00 14.03 H new ATOM 0 HB1 ALA A 75 13.603 1.921 -8.279 1.00 13.13 H new ATOM 0 HB2 ALA A 75 13.809 3.678 -8.080 1.00 13.13 H new ATOM 0 HB3 ALA A 75 15.186 2.673 -8.590 1.00 13.13 H new ATOM 1101 N PRO A 76 14.674 0.288 -5.380 1.00 0.23 N ATOM 1102 CA PRO A 76 15.132 -1.062 -5.067 1.00 75.03 C ATOM 1103 C PRO A 76 14.437 -2.147 -5.905 1.00 24.15 C ATOM 1104 O PRO A 76 13.557 -1.856 -6.714 1.00 72.22 O ATOM 1105 CB PRO A 76 14.772 -1.211 -3.572 1.00 14.10 C ATOM 1106 CG PRO A 76 13.943 -0.008 -3.216 1.00 54.11 C ATOM 1107 CD PRO A 76 13.553 0.645 -4.512 1.00 34.25 C ATOM 0 HA PRO A 76 16.191 -1.192 -5.288 1.00 75.03 H new ATOM 0 HB2 PRO A 76 14.216 -2.132 -3.396 1.00 14.10 H new ATOM 0 HB3 PRO A 76 15.672 -1.259 -2.958 1.00 14.10 H new ATOM 0 HG2 PRO A 76 13.060 -0.301 -2.649 1.00 54.11 H new ATOM 0 HG3 PRO A 76 14.510 0.681 -2.590 1.00 54.11 H new ATOM 0 HD2 PRO A 76 12.605 0.264 -4.892 1.00 34.25 H new ATOM 0 HD3 PRO A 76 13.444 1.725 -4.409 1.00 34.25 H new ATOM 1115 N LEU A 77 14.840 -3.394 -5.693 1.00 33.11 N ATOM 1116 CA LEU A 77 14.257 -4.525 -6.400 1.00 11.32 C ATOM 1117 C LEU A 77 13.011 -4.981 -5.640 1.00 71.14 C ATOM 1118 O LEU A 77 11.880 -4.667 -6.021 1.00 75.15 O ATOM 1119 CB LEU A 77 15.305 -5.664 -6.518 1.00 50.15 C ATOM 1120 CG LEU A 77 15.052 -6.774 -7.563 1.00 63.15 C ATOM 1121 CD1 LEU A 77 16.354 -7.468 -7.896 1.00 5.23 C ATOM 1122 CD2 LEU A 77 14.058 -7.825 -7.081 1.00 31.35 C ATOM 0 H LEU A 77 15.574 -3.647 -5.032 1.00 33.11 H new ATOM 0 HA LEU A 77 13.966 -4.241 -7.411 1.00 11.32 H new ATOM 0 HB2 LEU A 77 16.270 -5.209 -6.741 1.00 50.15 H new ATOM 0 HB3 LEU A 77 15.394 -6.139 -5.541 1.00 50.15 H new ATOM 0 HG LEU A 77 14.629 -6.285 -8.441 1.00 63.15 H new ATOM 0 HD11 LEU A 77 16.171 -8.250 -8.633 1.00 5.23 H new ATOM 0 HD12 LEU A 77 17.059 -6.743 -8.303 1.00 5.23 H new ATOM 0 HD13 LEU A 77 16.771 -7.912 -6.992 1.00 5.23 H new ATOM 0 HD21 LEU A 77 13.920 -8.578 -7.857 1.00 31.35 H new ATOM 0 HD22 LEU A 77 14.440 -8.300 -6.178 1.00 31.35 H new ATOM 0 HD23 LEU A 77 13.102 -7.349 -6.864 1.00 31.35 H new ATOM 1134 N SER A 78 13.234 -5.680 -4.542 1.00 41.33 N ATOM 1135 CA SER A 78 12.159 -6.249 -3.775 1.00 63.14 C ATOM 1136 C SER A 78 11.896 -5.377 -2.557 1.00 13.00 C ATOM 1137 O SER A 78 12.629 -5.419 -1.569 1.00 31.10 O ATOM 1138 CB SER A 78 12.512 -7.684 -3.385 1.00 70.41 C ATOM 1139 OG SER A 78 11.384 -8.375 -2.883 1.00 23.03 O ATOM 0 H SER A 78 14.163 -5.864 -4.164 1.00 41.33 H new ATOM 0 HA SER A 78 11.245 -6.283 -4.368 1.00 63.14 H new ATOM 0 HB2 SER A 78 12.907 -8.212 -4.253 1.00 70.41 H new ATOM 0 HB3 SER A 78 13.300 -7.675 -2.632 1.00 70.41 H new ATOM 0 HG SER A 78 11.641 -9.290 -2.644 1.00 23.03 H new ATOM 1145 N VAL A 79 10.858 -4.563 -2.669 1.00 64.24 N ATOM 1146 CA VAL A 79 10.498 -3.596 -1.639 1.00 21.04 C ATOM 1147 C VAL A 79 9.626 -4.269 -0.585 1.00 2.14 C ATOM 1148 O VAL A 79 8.582 -4.834 -0.910 1.00 44.30 O ATOM 1149 CB VAL A 79 9.769 -2.379 -2.273 1.00 72.31 C ATOM 1150 CG1 VAL A 79 9.378 -1.326 -1.245 1.00 51.14 C ATOM 1151 CG2 VAL A 79 10.638 -1.757 -3.350 1.00 72.32 C ATOM 0 H VAL A 79 10.238 -4.553 -3.479 1.00 64.24 H new ATOM 0 HA VAL A 79 11.404 -3.229 -1.156 1.00 21.04 H new ATOM 0 HB VAL A 79 8.845 -2.754 -2.713 1.00 72.31 H new ATOM 0 HG11 VAL A 79 8.873 -0.500 -1.745 1.00 51.14 H new ATOM 0 HG12 VAL A 79 8.708 -1.768 -0.508 1.00 51.14 H new ATOM 0 HG13 VAL A 79 10.273 -0.955 -0.746 1.00 51.14 H new ATOM 0 HG21 VAL A 79 10.119 -0.905 -3.789 1.00 72.32 H new ATOM 0 HG22 VAL A 79 11.578 -1.423 -2.911 1.00 72.32 H new ATOM 0 HG23 VAL A 79 10.842 -2.496 -4.125 1.00 72.32 H new ATOM 1161 N ARG A 80 10.085 -4.217 0.664 1.00 70.30 N ATOM 1162 CA ARG A 80 9.416 -4.898 1.772 1.00 41.43 C ATOM 1163 C ARG A 80 8.134 -4.165 2.188 1.00 34.15 C ATOM 1164 O ARG A 80 8.128 -2.954 2.445 1.00 63.11 O ATOM 1165 CB ARG A 80 10.378 -5.066 2.965 1.00 42.04 C ATOM 1166 CG ARG A 80 11.002 -3.762 3.431 1.00 12.32 C ATOM 1167 CD ARG A 80 12.054 -3.940 4.500 1.00 20.42 C ATOM 1168 NE ARG A 80 12.745 -2.676 4.765 1.00 43.12 N ATOM 1169 CZ ARG A 80 12.816 -2.064 5.956 1.00 63.34 C ATOM 1170 NH1 ARG A 80 12.253 -2.608 7.037 1.00 61.11 N ATOM 1171 NH2 ARG A 80 13.439 -0.900 6.046 1.00 15.12 N ATOM 0 H ARG A 80 10.925 -3.706 0.936 1.00 70.30 H new ATOM 0 HA ARG A 80 9.124 -5.891 1.430 1.00 41.43 H new ATOM 0 HB2 ARG A 80 9.837 -5.518 3.796 1.00 42.04 H new ATOM 0 HB3 ARG A 80 11.171 -5.760 2.686 1.00 42.04 H new ATOM 0 HG2 ARG A 80 11.449 -3.257 2.575 1.00 12.32 H new ATOM 0 HG3 ARG A 80 10.216 -3.109 3.812 1.00 12.32 H new ATOM 0 HD2 ARG A 80 11.590 -4.305 5.416 1.00 20.42 H new ATOM 0 HD3 ARG A 80 12.775 -4.695 4.185 1.00 20.42 H new ATOM 0 HE ARG A 80 13.211 -2.224 3.978 1.00 43.12 H new ATOM 0 HH11 ARG A 80 11.762 -3.499 6.963 1.00 61.11 H new ATOM 0 HH12 ARG A 80 12.314 -2.133 7.937 1.00 61.11 H new ATOM 0 HH21 ARG A 80 13.857 -0.480 5.216 1.00 15.12 H new ATOM 0 HH22 ARG A 80 13.501 -0.423 6.945 1.00 15.12 H new ATOM 1185 N PHE A 81 7.049 -4.917 2.194 1.00 11.11 N ATOM 1186 CA PHE A 81 5.756 -4.444 2.659 1.00 12.31 C ATOM 1187 C PHE A 81 5.128 -5.487 3.551 1.00 33.43 C ATOM 1188 O PHE A 81 5.356 -6.685 3.379 1.00 62.43 O ATOM 1189 CB PHE A 81 4.799 -4.147 1.497 1.00 44.21 C ATOM 1190 CG PHE A 81 5.049 -2.839 0.807 1.00 23.34 C ATOM 1191 CD1 PHE A 81 4.831 -1.647 1.470 1.00 65.11 C ATOM 1192 CD2 PHE A 81 5.502 -2.803 -0.497 1.00 34.31 C ATOM 1193 CE1 PHE A 81 5.060 -0.442 0.846 1.00 25.43 C ATOM 1194 CE2 PHE A 81 5.731 -1.597 -1.127 1.00 34.05 C ATOM 1195 CZ PHE A 81 5.513 -0.415 -0.453 1.00 61.33 C ATOM 0 H PHE A 81 7.040 -5.885 1.873 1.00 11.11 H new ATOM 0 HA PHE A 81 5.925 -3.517 3.207 1.00 12.31 H new ATOM 0 HB2 PHE A 81 4.876 -4.951 0.765 1.00 44.21 H new ATOM 0 HB3 PHE A 81 3.776 -4.156 1.874 1.00 44.21 H new ATOM 0 HD1 PHE A 81 4.477 -1.661 2.490 1.00 65.11 H new ATOM 0 HD2 PHE A 81 5.679 -3.727 -1.028 1.00 34.31 H new ATOM 0 HE1 PHE A 81 4.884 0.483 1.376 1.00 25.43 H new ATOM 0 HE2 PHE A 81 6.081 -1.579 -2.149 1.00 34.05 H new ATOM 0 HZ PHE A 81 5.697 0.530 -0.943 1.00 61.33 H new ATOM 1205 N LYS A 82 4.344 -5.035 4.503 1.00 10.44 N ATOM 1206 CA LYS A 82 3.593 -5.940 5.339 1.00 4.31 C ATOM 1207 C LYS A 82 2.142 -5.509 5.378 1.00 43.31 C ATOM 1208 O LYS A 82 1.823 -4.317 5.248 1.00 2.44 O ATOM 1209 CB LYS A 82 4.186 -6.034 6.759 1.00 43.44 C ATOM 1210 CG LYS A 82 4.119 -4.749 7.576 1.00 34.25 C ATOM 1211 CD LYS A 82 4.791 -4.904 8.934 1.00 20.31 C ATOM 1212 CE LYS A 82 6.299 -5.066 8.804 1.00 3.03 C ATOM 1213 NZ LYS A 82 6.969 -5.105 10.127 1.00 72.25 N ATOM 0 H LYS A 82 4.211 -4.047 4.717 1.00 10.44 H new ATOM 0 HA LYS A 82 3.655 -6.939 4.908 1.00 4.31 H new ATOM 0 HB2 LYS A 82 3.662 -6.820 7.303 1.00 43.44 H new ATOM 0 HB3 LYS A 82 5.229 -6.342 6.681 1.00 43.44 H new ATOM 0 HG2 LYS A 82 4.600 -3.942 7.023 1.00 34.25 H new ATOM 0 HG3 LYS A 82 3.077 -4.462 7.717 1.00 34.25 H new ATOM 0 HD2 LYS A 82 4.571 -4.032 9.550 1.00 20.31 H new ATOM 0 HD3 LYS A 82 4.375 -5.771 9.448 1.00 20.31 H new ATOM 0 HE2 LYS A 82 6.520 -5.984 8.259 1.00 3.03 H new ATOM 0 HE3 LYS A 82 6.703 -4.241 8.217 1.00 3.03 H new ATOM 0 HZ1 LYS A 82 7.994 -5.216 9.994 1.00 72.25 H new ATOM 0 HZ2 LYS A 82 6.780 -4.219 10.638 1.00 72.25 H new ATOM 0 HZ3 LYS A 82 6.603 -5.907 10.678 1.00 72.25 H new ATOM 1227 N ASP A 83 1.270 -6.487 5.522 1.00 31.25 N ATOM 1228 CA ASP A 83 -0.144 -6.234 5.709 1.00 31.21 C ATOM 1229 C ASP A 83 -0.364 -5.973 7.183 1.00 63.43 C ATOM 1230 O ASP A 83 -0.319 -6.890 8.003 1.00 32.32 O ATOM 1231 CB ASP A 83 -1.000 -7.418 5.237 1.00 64.11 C ATOM 1232 CG ASP A 83 -0.867 -7.697 3.754 1.00 64.24 C ATOM 1233 OD1 ASP A 83 0.156 -8.288 3.338 1.00 3.25 O ATOM 1234 OD2 ASP A 83 -1.778 -7.314 2.997 1.00 41.53 O ATOM 0 H ASP A 83 1.521 -7.476 5.513 1.00 31.25 H new ATOM 0 HA ASP A 83 -0.448 -5.375 5.111 1.00 31.21 H new ATOM 0 HB2 ASP A 83 -0.714 -8.310 5.795 1.00 64.11 H new ATOM 0 HB3 ASP A 83 -2.046 -7.218 5.470 1.00 64.11 H new ATOM 1239 N PHE A 84 -0.571 -4.713 7.525 1.00 34.40 N ATOM 1240 CA PHE A 84 -0.586 -4.284 8.921 1.00 14.45 C ATOM 1241 C PHE A 84 -2.006 -3.806 9.280 1.00 5.34 C ATOM 1242 O PHE A 84 -2.268 -3.329 10.385 1.00 24.13 O ATOM 1243 CB PHE A 84 0.481 -3.174 9.079 1.00 4.21 C ATOM 1244 CG PHE A 84 0.881 -2.820 10.483 1.00 35.53 C ATOM 1245 CD1 PHE A 84 1.562 -3.730 11.271 1.00 54.15 C ATOM 1246 CD2 PHE A 84 0.596 -1.571 11.003 1.00 32.33 C ATOM 1247 CE1 PHE A 84 1.943 -3.402 12.554 1.00 1.31 C ATOM 1248 CE2 PHE A 84 0.973 -1.236 12.286 1.00 35.34 C ATOM 1249 CZ PHE A 84 1.648 -2.152 13.064 1.00 72.44 C ATOM 0 H PHE A 84 -0.732 -3.962 6.854 1.00 34.40 H new ATOM 0 HA PHE A 84 -0.341 -5.095 9.607 1.00 14.45 H new ATOM 0 HB2 PHE A 84 1.375 -3.482 8.537 1.00 4.21 H new ATOM 0 HB3 PHE A 84 0.109 -2.272 8.593 1.00 4.21 H new ATOM 0 HD1 PHE A 84 1.798 -4.708 10.877 1.00 54.15 H new ATOM 0 HD2 PHE A 84 0.071 -0.848 10.396 1.00 32.33 H new ATOM 0 HE1 PHE A 84 2.472 -4.122 13.161 1.00 1.31 H new ATOM 0 HE2 PHE A 84 0.740 -0.258 12.681 1.00 35.34 H new ATOM 0 HZ PHE A 84 1.946 -1.893 14.070 1.00 72.44 H new ATOM 1259 N SER A 85 -2.898 -3.936 8.291 1.00 74.03 N ATOM 1260 CA SER A 85 -4.312 -3.588 8.393 1.00 24.33 C ATOM 1261 C SER A 85 -5.038 -4.357 9.500 1.00 20.41 C ATOM 1262 O SER A 85 -4.789 -5.545 9.721 1.00 63.14 O ATOM 1263 CB SER A 85 -4.985 -3.862 7.052 1.00 74.11 C ATOM 1264 OG SER A 85 -4.335 -3.151 6.018 1.00 33.35 O ATOM 0 H SER A 85 -2.644 -4.298 7.372 1.00 74.03 H new ATOM 0 HA SER A 85 -4.373 -2.531 8.653 1.00 24.33 H new ATOM 0 HB2 SER A 85 -4.961 -4.930 6.838 1.00 74.11 H new ATOM 0 HB3 SER A 85 -6.034 -3.570 7.098 1.00 74.11 H new ATOM 0 HG SER A 85 -4.777 -3.339 5.164 1.00 33.35 H new ATOM 1270 N GLU A 86 -5.934 -3.652 10.181 1.00 51.22 N ATOM 1271 CA GLU A 86 -6.726 -4.222 11.262 1.00 32.12 C ATOM 1272 C GLU A 86 -8.204 -4.204 10.860 1.00 14.20 C ATOM 1273 O GLU A 86 -8.633 -3.262 10.195 1.00 31.13 O ATOM 1274 CB GLU A 86 -6.522 -3.408 12.546 1.00 45.50 C ATOM 1275 CG GLU A 86 -7.142 -4.020 13.795 1.00 43.43 C ATOM 1276 CD GLU A 86 -7.115 -3.085 14.979 1.00 51.14 C ATOM 1277 OE1 GLU A 86 -7.853 -2.084 14.962 1.00 1.21 O ATOM 1278 OE2 GLU A 86 -6.372 -3.356 15.942 1.00 32.41 O ATOM 0 H GLU A 86 -6.131 -2.668 9.998 1.00 51.22 H new ATOM 0 HA GLU A 86 -6.409 -5.249 11.446 1.00 32.12 H new ATOM 0 HB2 GLU A 86 -5.452 -3.281 12.713 1.00 45.50 H new ATOM 0 HB3 GLU A 86 -6.942 -2.413 12.399 1.00 45.50 H new ATOM 0 HG2 GLU A 86 -8.174 -4.301 13.583 1.00 43.43 H new ATOM 0 HG3 GLU A 86 -6.608 -4.936 14.049 1.00 43.43 H new ATOM 1285 N ASN A 87 -8.947 -5.270 11.239 1.00 70.22 N ATOM 1286 CA ASN A 87 -10.424 -5.344 11.101 1.00 10.11 C ATOM 1287 C ASN A 87 -10.877 -5.365 9.637 1.00 73.42 C ATOM 1288 O ASN A 87 -11.952 -4.869 9.291 1.00 74.32 O ATOM 1289 CB ASN A 87 -11.095 -4.185 11.862 1.00 14.24 C ATOM 1290 CG ASN A 87 -10.935 -4.307 13.370 1.00 52.35 C ATOM 1291 OD1 ASN A 87 -11.014 -5.400 13.929 1.00 11.50 O ATOM 1292 ND2 ASN A 87 -10.662 -3.195 14.033 1.00 41.34 N ATOM 0 H ASN A 87 -8.538 -6.108 11.652 1.00 70.22 H new ATOM 0 HA ASN A 87 -10.740 -6.289 11.542 1.00 10.11 H new ATOM 0 HB2 ASN A 87 -10.666 -3.240 11.530 1.00 14.24 H new ATOM 0 HB3 ASN A 87 -12.156 -4.158 11.614 1.00 14.24 H new ATOM 0 HD21 ASN A 87 -10.509 -3.227 15.041 1.00 41.34 H new ATOM 0 HD22 ASN A 87 -10.604 -2.306 13.536 1.00 41.34 H new ATOM 1299 N ALA A 88 -10.064 -5.991 8.793 1.00 35.31 N ATOM 1300 CA ALA A 88 -10.340 -6.063 7.371 1.00 61.30 C ATOM 1301 C ALA A 88 -10.898 -7.423 6.988 1.00 20.24 C ATOM 1302 O ALA A 88 -10.425 -8.456 7.465 1.00 62.32 O ATOM 1303 CB ALA A 88 -9.080 -5.787 6.579 1.00 42.44 C ATOM 0 H ALA A 88 -9.203 -6.458 9.077 1.00 35.31 H new ATOM 0 HA ALA A 88 -11.088 -5.306 7.137 1.00 61.30 H new ATOM 0 HB1 ALA A 88 -9.300 -5.844 5.513 1.00 42.44 H new ATOM 0 HB2 ALA A 88 -8.710 -4.791 6.820 1.00 42.44 H new ATOM 0 HB3 ALA A 88 -8.321 -6.527 6.833 1.00 42.44 H new ATOM 1309 N THR A 89 -11.910 -7.410 6.131 1.00 35.43 N ATOM 1310 CA THR A 89 -12.505 -8.632 5.605 1.00 11.14 C ATOM 1311 C THR A 89 -11.916 -8.943 4.223 1.00 44.34 C ATOM 1312 O THR A 89 -11.732 -10.104 3.851 1.00 64.01 O ATOM 1313 CB THR A 89 -14.047 -8.503 5.539 1.00 34.31 C ATOM 1314 OG1 THR A 89 -14.530 -8.014 6.791 1.00 23.01 O ATOM 1315 CG2 THR A 89 -14.720 -9.841 5.249 1.00 52.34 C ATOM 0 H THR A 89 -12.341 -6.554 5.781 1.00 35.43 H new ATOM 0 HA THR A 89 -12.271 -9.459 6.275 1.00 11.14 H new ATOM 0 HB THR A 89 -14.288 -7.816 4.728 1.00 34.31 H new ATOM 0 HG1 THR A 89 -15.304 -7.432 6.638 1.00 23.01 H new ATOM 0 HG21 THR A 89 -15.801 -9.704 5.211 1.00 52.34 H new ATOM 0 HG22 THR A 89 -14.369 -10.225 4.291 1.00 52.34 H new ATOM 0 HG23 THR A 89 -14.471 -10.552 6.037 1.00 52.34 H new ATOM 1323 N SER A 90 -11.612 -7.892 3.468 1.00 1.32 N ATOM 1324 CA SER A 90 -10.971 -8.027 2.171 1.00 73.51 C ATOM 1325 C SER A 90 -9.802 -7.056 2.073 1.00 50.50 C ATOM 1326 O SER A 90 -9.858 -5.963 2.636 1.00 4.31 O ATOM 1327 CB SER A 90 -11.979 -7.741 1.057 1.00 74.04 C ATOM 1328 OG SER A 90 -13.112 -8.590 1.165 1.00 34.34 O ATOM 0 H SER A 90 -11.803 -6.928 3.739 1.00 1.32 H new ATOM 0 HA SER A 90 -10.601 -9.046 2.060 1.00 73.51 H new ATOM 0 HB2 SER A 90 -12.295 -6.699 1.107 1.00 74.04 H new ATOM 0 HB3 SER A 90 -11.504 -7.884 0.086 1.00 74.04 H new ATOM 0 HG SER A 90 -13.743 -8.387 0.443 1.00 34.34 H new ATOM 1334 N ARG A 91 -8.735 -7.466 1.397 1.00 32.15 N ATOM 1335 CA ARG A 91 -7.592 -6.589 1.155 1.00 10.40 C ATOM 1336 C ARG A 91 -7.366 -6.421 -0.348 1.00 53.24 C ATOM 1337 O ARG A 91 -7.704 -7.303 -1.144 1.00 42.12 O ATOM 1338 CB ARG A 91 -6.317 -7.122 1.840 1.00 1.12 C ATOM 1339 CG ARG A 91 -5.919 -8.519 1.389 1.00 61.44 C ATOM 1340 CD ARG A 91 -4.596 -8.974 1.973 1.00 72.01 C ATOM 1341 NE ARG A 91 -4.236 -10.301 1.479 1.00 64.22 N ATOM 1342 CZ ARG A 91 -2.993 -10.713 1.216 1.00 0.30 C ATOM 1343 NH1 ARG A 91 -1.947 -9.927 1.447 1.00 54.14 N ATOM 1344 NH2 ARG A 91 -2.817 -11.928 0.725 1.00 62.32 N ATOM 0 H ARG A 91 -8.636 -8.403 1.005 1.00 32.15 H new ATOM 0 HA ARG A 91 -7.816 -5.615 1.590 1.00 10.40 H new ATOM 0 HB2 ARG A 91 -5.494 -6.437 1.639 1.00 1.12 H new ATOM 0 HB3 ARG A 91 -6.470 -7.128 2.919 1.00 1.12 H new ATOM 0 HG2 ARG A 91 -6.699 -9.224 1.677 1.00 61.44 H new ATOM 0 HG3 ARG A 91 -5.856 -8.540 0.301 1.00 61.44 H new ATOM 0 HD2 ARG A 91 -3.814 -8.260 1.712 1.00 72.01 H new ATOM 0 HD3 ARG A 91 -4.661 -8.992 3.061 1.00 72.01 H new ATOM 0 HE ARG A 91 -4.994 -10.965 1.323 1.00 64.22 H new ATOM 0 HH11 ARG A 91 -2.086 -8.992 1.831 1.00 54.14 H new ATOM 0 HH12 ARG A 91 -1.005 -10.258 1.240 1.00 54.14 H new ATOM 0 HH21 ARG A 91 -3.622 -12.531 0.554 1.00 62.32 H new ATOM 0 HH22 ARG A 91 -1.876 -12.263 0.517 1.00 62.32 H new ATOM 1358 N LEU A 92 -6.805 -5.283 -0.723 1.00 53.22 N ATOM 1359 CA LEU A 92 -6.539 -4.974 -2.112 1.00 33.55 C ATOM 1360 C LEU A 92 -5.263 -4.140 -2.190 1.00 10.45 C ATOM 1361 O LEU A 92 -5.212 -3.017 -1.680 1.00 74.12 O ATOM 1362 CB LEU A 92 -7.747 -4.214 -2.710 1.00 34.21 C ATOM 1363 CG LEU A 92 -7.958 -4.309 -4.232 1.00 5.32 C ATOM 1364 CD1 LEU A 92 -9.365 -3.858 -4.586 1.00 21.34 C ATOM 1365 CD2 LEU A 92 -6.958 -3.469 -5.008 1.00 3.13 C ATOM 0 H LEU A 92 -6.523 -4.551 -0.072 1.00 53.22 H new ATOM 0 HA LEU A 92 -6.397 -5.887 -2.690 1.00 33.55 H new ATOM 0 HB2 LEU A 92 -8.650 -4.578 -2.221 1.00 34.21 H new ATOM 0 HB3 LEU A 92 -7.646 -3.161 -2.449 1.00 34.21 H new ATOM 0 HG LEU A 92 -7.808 -5.352 -4.512 1.00 5.32 H new ATOM 0 HD11 LEU A 92 -9.509 -3.927 -5.664 1.00 21.34 H new ATOM 0 HD12 LEU A 92 -10.090 -4.497 -4.081 1.00 21.34 H new ATOM 0 HD13 LEU A 92 -9.507 -2.826 -4.267 1.00 21.34 H new ATOM 0 HD21 LEU A 92 -7.149 -3.570 -6.076 1.00 3.13 H new ATOM 0 HD22 LEU A 92 -7.059 -2.423 -4.719 1.00 3.13 H new ATOM 0 HD23 LEU A 92 -5.947 -3.810 -4.786 1.00 3.13 H new ATOM 1377 N TRP A 93 -4.237 -4.699 -2.816 1.00 13.50 N ATOM 1378 CA TRP A 93 -3.011 -3.963 -3.084 1.00 1.13 C ATOM 1379 C TRP A 93 -3.085 -3.320 -4.459 1.00 65.42 C ATOM 1380 O TRP A 93 -3.174 -4.009 -5.479 1.00 21.13 O ATOM 1381 CB TRP A 93 -1.784 -4.875 -3.017 1.00 22.11 C ATOM 1382 CG TRP A 93 -1.305 -5.199 -1.630 1.00 51.24 C ATOM 1383 CD1 TRP A 93 -1.504 -6.361 -0.939 1.00 73.21 C ATOM 1384 CD2 TRP A 93 -0.519 -4.354 -0.772 1.00 41.20 C ATOM 1385 NE1 TRP A 93 -0.876 -6.297 0.282 1.00 34.52 N ATOM 1386 CE2 TRP A 93 -0.259 -5.082 0.405 1.00 34.31 C ATOM 1387 CE3 TRP A 93 0.024 -3.068 -0.899 1.00 1.44 C ATOM 1388 CZ2 TRP A 93 0.477 -4.552 1.464 1.00 50.12 C ATOM 1389 CZ3 TRP A 93 0.754 -2.545 0.153 1.00 30.04 C ATOM 1390 CH2 TRP A 93 0.992 -3.294 1.312 1.00 51.12 C ATOM 0 H TRP A 93 -4.230 -5.663 -3.149 1.00 13.50 H new ATOM 0 HA TRP A 93 -2.910 -3.194 -2.318 1.00 1.13 H new ATOM 0 HB2 TRP A 93 -2.015 -5.808 -3.532 1.00 22.11 H new ATOM 0 HB3 TRP A 93 -0.969 -4.402 -3.565 1.00 22.11 H new ATOM 0 HD1 TRP A 93 -2.072 -7.206 -1.300 1.00 73.21 H new ATOM 0 HE1 TRP A 93 -0.871 -7.037 0.984 1.00 34.52 H new ATOM 0 HE3 TRP A 93 -0.125 -2.495 -1.803 1.00 1.44 H new ATOM 0 HZ2 TRP A 93 0.635 -5.115 2.372 1.00 50.12 H new ATOM 0 HZ3 TRP A 93 1.147 -1.542 0.079 1.00 30.04 H new ATOM 0 HH2 TRP A 93 1.594 -2.870 2.102 1.00 51.12 H new ATOM 1401 N MET A 94 -3.089 -1.996 -4.470 1.00 54.12 N ATOM 1402 CA MET A 94 -3.107 -1.230 -5.704 1.00 11.35 C ATOM 1403 C MET A 94 -1.697 -0.913 -6.161 1.00 34.12 C ATOM 1404 O MET A 94 -1.036 -0.027 -5.609 1.00 1.13 O ATOM 1405 CB MET A 94 -3.899 0.070 -5.533 1.00 54.32 C ATOM 1406 CG MET A 94 -5.404 -0.108 -5.611 1.00 63.34 C ATOM 1407 SD MET A 94 -5.962 -0.630 -7.245 1.00 53.14 S ATOM 1408 CE MET A 94 -5.399 0.730 -8.278 1.00 0.35 C ATOM 0 H MET A 94 -3.080 -1.424 -3.625 1.00 54.12 H new ATOM 0 HA MET A 94 -3.597 -1.840 -6.463 1.00 11.35 H new ATOM 0 HB2 MET A 94 -3.646 0.514 -4.570 1.00 54.32 H new ATOM 0 HB3 MET A 94 -3.587 0.777 -6.302 1.00 54.32 H new ATOM 0 HG2 MET A 94 -5.717 -0.846 -4.872 1.00 63.34 H new ATOM 0 HG3 MET A 94 -5.891 0.831 -5.349 1.00 63.34 H new ATOM 0 HE1 MET A 94 -6.160 0.959 -9.024 1.00 0.35 H new ATOM 0 HE2 MET A 94 -5.222 1.609 -7.658 1.00 0.35 H new ATOM 0 HE3 MET A 94 -4.473 0.447 -8.779 1.00 0.35 H new ATOM 1418 N PHE A 95 -1.226 -1.666 -7.149 1.00 34.52 N ATOM 1419 CA PHE A 95 0.066 -1.394 -7.775 1.00 61.24 C ATOM 1420 C PHE A 95 -0.121 -0.526 -9.019 1.00 23.24 C ATOM 1421 O PHE A 95 0.797 0.182 -9.433 1.00 20.21 O ATOM 1422 CB PHE A 95 0.767 -2.705 -8.157 1.00 24.45 C ATOM 1423 CG PHE A 95 0.953 -3.669 -7.014 1.00 33.41 C ATOM 1424 CD1 PHE A 95 1.806 -3.366 -5.960 1.00 43.14 C ATOM 1425 CD2 PHE A 95 0.277 -4.878 -6.995 1.00 65.42 C ATOM 1426 CE1 PHE A 95 1.973 -4.250 -4.912 1.00 52.31 C ATOM 1427 CE2 PHE A 95 0.444 -5.766 -5.949 1.00 52.42 C ATOM 1428 CZ PHE A 95 1.294 -5.452 -4.908 1.00 52.35 C ATOM 0 H PHE A 95 -1.719 -2.471 -7.535 1.00 34.52 H new ATOM 0 HA PHE A 95 0.688 -0.860 -7.057 1.00 61.24 H new ATOM 0 HB2 PHE A 95 0.190 -3.196 -8.940 1.00 24.45 H new ATOM 0 HB3 PHE A 95 1.744 -2.470 -8.581 1.00 24.45 H new ATOM 0 HD1 PHE A 95 2.344 -2.430 -5.960 1.00 43.14 H new ATOM 0 HD2 PHE A 95 -0.389 -5.130 -7.807 1.00 65.42 H new ATOM 0 HE1 PHE A 95 2.635 -4.001 -4.096 1.00 52.31 H new ATOM 0 HE2 PHE A 95 -0.090 -6.705 -5.946 1.00 52.42 H new ATOM 0 HZ PHE A 95 1.428 -6.146 -4.091 1.00 52.35 H new ATOM 1438 N GLY A 96 -1.316 -0.608 -9.615 1.00 5.01 N ATOM 1439 CA GLY A 96 -1.635 0.184 -10.795 1.00 53.03 C ATOM 1440 C GLY A 96 -1.304 -0.524 -12.101 1.00 13.33 C ATOM 1441 O GLY A 96 -1.493 0.034 -13.175 1.00 44.32 O ATOM 0 H GLY A 96 -2.072 -1.214 -9.296 1.00 5.01 H new ATOM 0 HA2 GLY A 96 -2.697 0.431 -10.782 1.00 53.03 H new ATOM 0 HA3 GLY A 96 -1.088 1.126 -10.751 1.00 53.03 H new ATOM 1445 N ASP A 97 -0.807 -1.753 -12.003 1.00 75.43 N ATOM 1446 CA ASP A 97 -0.393 -2.504 -13.175 1.00 35.25 C ATOM 1447 C ASP A 97 -0.995 -3.902 -13.155 1.00 3.32 C ATOM 1448 O ASP A 97 -0.744 -4.676 -12.223 1.00 43.21 O ATOM 1449 CB ASP A 97 1.136 -2.587 -13.263 1.00 2.05 C ATOM 1450 CG ASP A 97 1.623 -3.090 -14.615 1.00 53.24 C ATOM 1451 OD1 ASP A 97 1.651 -4.316 -14.829 1.00 73.51 O ATOM 1452 OD2 ASP A 97 1.997 -2.258 -15.458 1.00 55.31 O ATOM 0 H ASP A 97 -0.682 -2.248 -11.120 1.00 75.43 H new ATOM 0 HA ASP A 97 -0.759 -1.978 -14.057 1.00 35.25 H new ATOM 0 HB2 ASP A 97 1.560 -1.601 -13.073 1.00 2.05 H new ATOM 0 HB3 ASP A 97 1.505 -3.249 -12.480 1.00 2.05 H new ATOM 1457 N GLY A 98 -1.786 -4.208 -14.175 1.00 75.43 N ATOM 1458 CA GLY A 98 -2.298 -5.556 -14.357 1.00 22.04 C ATOM 1459 C GLY A 98 -3.451 -5.890 -13.439 1.00 64.44 C ATOM 1460 O GLY A 98 -4.365 -5.080 -13.248 1.00 35.13 O ATOM 0 H GLY A 98 -2.085 -3.541 -14.887 1.00 75.43 H new ATOM 0 HA2 GLY A 98 -2.620 -5.678 -15.391 1.00 22.04 H new ATOM 0 HA3 GLY A 98 -1.491 -6.269 -14.188 1.00 22.04 H new ATOM 1464 N ASN A 99 -3.389 -7.076 -12.856 1.00 55.31 N ATOM 1465 CA ASN A 99 -4.432 -7.560 -11.963 1.00 11.32 C ATOM 1466 C ASN A 99 -4.141 -7.181 -10.509 1.00 72.11 C ATOM 1467 O ASN A 99 -3.137 -7.595 -9.914 1.00 75.21 O ATOM 1468 CB ASN A 99 -4.687 -9.082 -12.120 1.00 43.34 C ATOM 1469 CG ASN A 99 -3.471 -9.995 -11.916 1.00 75.31 C ATOM 1470 OD1 ASN A 99 -2.328 -9.647 -12.215 1.00 64.43 O ATOM 1471 ND2 ASN A 99 -3.717 -11.185 -11.408 1.00 1.51 N ATOM 0 H ASN A 99 -2.617 -7.730 -12.987 1.00 55.31 H new ATOM 0 HA ASN A 99 -5.356 -7.061 -12.256 1.00 11.32 H new ATOM 0 HB2 ASN A 99 -5.459 -9.376 -11.409 1.00 43.34 H new ATOM 0 HB3 ASN A 99 -5.087 -9.262 -13.118 1.00 43.34 H new ATOM 0 HD21 ASN A 99 -2.952 -11.842 -11.254 1.00 1.51 H new ATOM 0 HD22 ASN A 99 -4.672 -11.450 -11.168 1.00 1.51 H new ATOM 1478 N THR A 100 -5.014 -6.340 -9.977 1.00 15.24 N ATOM 1479 CA THR A 100 -4.982 -5.953 -8.576 1.00 14.23 C ATOM 1480 C THR A 100 -5.904 -6.871 -7.772 1.00 70.10 C ATOM 1481 O THR A 100 -6.550 -7.741 -8.362 1.00 32.15 O ATOM 1482 CB THR A 100 -5.419 -4.485 -8.405 1.00 61.44 C ATOM 1483 OG1 THR A 100 -6.568 -4.222 -9.223 1.00 24.14 O ATOM 1484 CG2 THR A 100 -4.294 -3.527 -8.774 1.00 74.44 C ATOM 0 H THR A 100 -5.768 -5.905 -10.508 1.00 15.24 H new ATOM 0 HA THR A 100 -3.960 -6.050 -8.208 1.00 14.23 H new ATOM 0 HB THR A 100 -5.670 -4.326 -7.356 1.00 61.44 H new ATOM 0 HG1 THR A 100 -6.843 -3.288 -9.110 1.00 24.14 H new ATOM 0 HG21 THR A 100 -4.633 -2.500 -8.643 1.00 74.44 H new ATOM 0 HG22 THR A 100 -3.434 -3.710 -8.130 1.00 74.44 H new ATOM 0 HG23 THR A 100 -4.008 -3.685 -9.814 1.00 74.44 H new ATOM 1602 N THR A 109 8.629 -5.112 -8.479 1.00 33.41 N ATOM 1603 CA THR A 109 10.035 -4.766 -8.566 1.00 42.13 C ATOM 1604 C THR A 109 10.145 -3.416 -9.261 1.00 24.44 C ATOM 1605 O THR A 109 9.543 -3.217 -10.321 1.00 13.14 O ATOM 1606 CB THR A 109 10.834 -5.845 -9.354 1.00 1.44 C ATOM 1607 OG1 THR A 109 10.781 -7.096 -8.657 1.00 61.11 O ATOM 1608 CG2 THR A 109 12.297 -5.446 -9.556 1.00 61.20 C ATOM 0 HA THR A 109 10.461 -4.716 -7.564 1.00 42.13 H new ATOM 0 HB THR A 109 10.370 -5.937 -10.336 1.00 1.44 H new ATOM 0 HG1 THR A 109 9.901 -7.200 -8.238 1.00 61.11 H new ATOM 0 HG21 THR A 109 12.814 -6.229 -10.110 1.00 61.20 H new ATOM 0 HG22 THR A 109 12.345 -4.512 -10.116 1.00 61.20 H new ATOM 0 HG23 THR A 109 12.775 -5.312 -8.586 1.00 61.20 H new ATOM 1616 N PHE A 110 10.868 -2.484 -8.662 1.00 70.23 N ATOM 1617 CA PHE A 110 11.023 -1.170 -9.257 1.00 4.41 C ATOM 1618 C PHE A 110 12.240 -1.143 -10.172 1.00 65.35 C ATOM 1619 O PHE A 110 13.381 -1.042 -9.718 1.00 11.55 O ATOM 1620 CB PHE A 110 11.115 -0.075 -8.188 1.00 1.33 C ATOM 1621 CG PHE A 110 9.871 0.094 -7.338 1.00 33.31 C ATOM 1622 CD1 PHE A 110 8.602 -0.192 -7.838 1.00 13.43 C ATOM 1623 CD2 PHE A 110 9.971 0.546 -6.032 1.00 11.13 C ATOM 1624 CE1 PHE A 110 7.473 -0.021 -7.059 1.00 74.33 C ATOM 1625 CE2 PHE A 110 8.841 0.719 -5.250 1.00 23.32 C ATOM 1626 CZ PHE A 110 7.594 0.425 -5.760 1.00 54.35 C ATOM 0 H PHE A 110 11.352 -2.612 -7.773 1.00 70.23 H new ATOM 0 HA PHE A 110 10.135 -0.965 -9.855 1.00 4.41 H new ATOM 0 HB2 PHE A 110 11.957 -0.297 -7.533 1.00 1.33 H new ATOM 0 HB3 PHE A 110 11.334 0.874 -8.678 1.00 1.33 H new ATOM 0 HD1 PHE A 110 8.499 -0.553 -8.851 1.00 13.43 H new ATOM 0 HD2 PHE A 110 10.944 0.767 -5.618 1.00 11.13 H new ATOM 0 HE1 PHE A 110 6.497 -0.237 -7.468 1.00 74.33 H new ATOM 0 HE2 PHE A 110 8.937 1.085 -4.238 1.00 23.32 H new ATOM 0 HZ PHE A 110 6.715 0.544 -5.144 1.00 54.35 H new ATOM 1636 N PHE A 111 11.975 -1.271 -11.475 1.00 52.42 N ATOM 1637 CA PHE A 111 13.022 -1.257 -12.497 1.00 41.55 C ATOM 1638 C PHE A 111 13.351 0.182 -12.875 1.00 65.12 C ATOM 1639 O PHE A 111 14.494 0.516 -13.197 1.00 60.14 O ATOM 1640 CB PHE A 111 12.567 -2.012 -13.763 1.00 12.53 C ATOM 1641 CG PHE A 111 12.122 -3.430 -13.540 1.00 43.12 C ATOM 1642 CD1 PHE A 111 13.042 -4.463 -13.473 1.00 61.12 C ATOM 1643 CD2 PHE A 111 10.774 -3.729 -13.420 1.00 34.20 C ATOM 1644 CE1 PHE A 111 12.625 -5.765 -13.290 1.00 41.21 C ATOM 1645 CE2 PHE A 111 10.353 -5.029 -13.232 1.00 64.13 C ATOM 1646 CZ PHE A 111 11.277 -6.047 -13.167 1.00 35.13 C ATOM 0 H PHE A 111 11.033 -1.387 -11.849 1.00 52.42 H new ATOM 0 HA PHE A 111 13.903 -1.751 -12.087 1.00 41.55 H new ATOM 0 HB2 PHE A 111 11.747 -1.459 -14.221 1.00 12.53 H new ATOM 0 HB3 PHE A 111 13.389 -2.015 -14.479 1.00 12.53 H new ATOM 0 HD1 PHE A 111 14.096 -4.247 -13.565 1.00 61.12 H new ATOM 0 HD2 PHE A 111 10.044 -2.935 -13.474 1.00 34.20 H new ATOM 0 HE1 PHE A 111 13.351 -6.563 -13.243 1.00 41.21 H new ATOM 0 HE2 PHE A 111 9.300 -5.248 -13.136 1.00 64.13 H new ATOM 0 HZ PHE A 111 10.949 -7.066 -13.020 1.00 35.13 H new ATOM 1656 N ASN A 112 12.328 1.024 -12.819 1.00 41.42 N ATOM 1657 CA ASN A 112 12.449 2.427 -13.165 1.00 51.12 C ATOM 1658 C ASN A 112 12.147 3.272 -11.945 1.00 11.23 C ATOM 1659 O ASN A 112 11.284 2.923 -11.144 1.00 33.32 O ATOM 1660 CB ASN A 112 11.486 2.798 -14.302 1.00 33.02 C ATOM 1661 CG ASN A 112 11.805 2.089 -15.607 1.00 61.14 C ATOM 1662 OD1 ASN A 112 11.296 1.002 -15.879 1.00 40.02 O ATOM 1663 ND2 ASN A 112 12.638 2.703 -16.425 1.00 72.13 N ATOM 0 H ASN A 112 11.389 0.749 -12.531 1.00 41.42 H new ATOM 0 HA ASN A 112 13.467 2.615 -13.505 1.00 51.12 H new ATOM 0 HB2 ASN A 112 10.467 2.553 -14.002 1.00 33.02 H new ATOM 0 HB3 ASN A 112 11.521 3.876 -14.463 1.00 33.02 H new ATOM 0 HD21 ASN A 112 12.881 2.277 -17.319 1.00 72.13 H new ATOM 0 HD22 ASN A 112 13.039 3.604 -16.163 1.00 72.13 H new ATOM 1670 N GLU A 113 12.851 4.384 -11.827 1.00 45.15 N ATOM 1671 CA GLU A 113 12.721 5.285 -10.689 1.00 54.11 C ATOM 1672 C GLU A 113 11.536 6.236 -10.871 1.00 31.22 C ATOM 1673 O GLU A 113 10.976 6.341 -11.965 1.00 51.04 O ATOM 1674 CB GLU A 113 14.006 6.106 -10.502 1.00 55.23 C ATOM 1675 CG GLU A 113 14.306 7.094 -11.632 1.00 73.51 C ATOM 1676 CD GLU A 113 15.071 6.489 -12.789 1.00 74.11 C ATOM 1677 OE1 GLU A 113 14.447 5.937 -13.709 1.00 41.41 O ATOM 1678 OE2 GLU A 113 16.300 6.574 -12.786 1.00 24.02 O ATOM 0 H GLU A 113 13.533 4.691 -12.520 1.00 45.15 H new ATOM 0 HA GLU A 113 12.549 4.673 -9.803 1.00 54.11 H new ATOM 0 HB2 GLU A 113 13.935 6.658 -9.565 1.00 55.23 H new ATOM 0 HB3 GLU A 113 14.848 5.420 -10.405 1.00 55.23 H new ATOM 0 HG2 GLU A 113 13.366 7.501 -12.004 1.00 73.51 H new ATOM 0 HG3 GLU A 113 14.878 7.930 -11.228 1.00 73.51 H new ATOM 1685 N GLY A 114 11.178 6.938 -9.810 1.00 1.52 N ATOM 1686 CA GLY A 114 10.130 7.925 -9.899 1.00 11.21 C ATOM 1687 C GLY A 114 9.379 8.072 -8.605 1.00 35.33 C ATOM 1688 O GLY A 114 9.802 7.552 -7.570 1.00 54.12 O ATOM 0 H GLY A 114 11.597 6.840 -8.885 1.00 1.52 H new ATOM 0 HA2 GLY A 114 10.561 8.886 -10.178 1.00 11.21 H new ATOM 0 HA3 GLY A 114 9.435 7.645 -10.691 1.00 11.21 H new ATOM 1692 N GLU A 115 8.267 8.780 -8.663 1.00 44.32 N ATOM 1693 CA GLU A 115 7.427 8.969 -7.500 1.00 25.54 C ATOM 1694 C GLU A 115 6.292 7.954 -7.527 1.00 44.22 C ATOM 1695 O GLU A 115 5.446 7.966 -8.427 1.00 41.42 O ATOM 1696 CB GLU A 115 6.892 10.397 -7.458 1.00 41.43 C ATOM 1697 CG GLU A 115 6.134 10.722 -6.180 1.00 14.14 C ATOM 1698 CD GLU A 115 5.696 12.162 -6.109 1.00 2.34 C ATOM 1699 OE1 GLU A 115 4.619 12.484 -6.640 1.00 22.01 O ATOM 1700 OE2 GLU A 115 6.423 12.972 -5.510 1.00 22.14 O ATOM 0 H GLU A 115 7.925 9.235 -9.509 1.00 44.32 H new ATOM 0 HA GLU A 115 8.014 8.811 -6.596 1.00 25.54 H new ATOM 0 HB2 GLU A 115 7.725 11.092 -7.564 1.00 41.43 H new ATOM 0 HB3 GLU A 115 6.234 10.555 -8.312 1.00 41.43 H new ATOM 0 HG2 GLU A 115 5.258 10.077 -6.109 1.00 14.14 H new ATOM 0 HG3 GLU A 115 6.766 10.497 -5.321 1.00 14.14 H new ATOM 1707 N TYR A 116 6.311 7.060 -6.556 1.00 53.10 N ATOM 1708 CA TYR A 116 5.315 6.007 -6.446 1.00 25.35 C ATOM 1709 C TYR A 116 4.301 6.393 -5.395 1.00 10.03 C ATOM 1710 O TYR A 116 4.627 7.093 -4.442 1.00 0.21 O ATOM 1711 CB TYR A 116 5.951 4.675 -6.029 1.00 24.33 C ATOM 1712 CG TYR A 116 7.279 4.369 -6.680 1.00 62.51 C ATOM 1713 CD1 TYR A 116 7.361 3.937 -7.998 1.00 11.42 C ATOM 1714 CD2 TYR A 116 8.454 4.517 -5.964 1.00 34.40 C ATOM 1715 CE1 TYR A 116 8.583 3.645 -8.574 1.00 61.34 C ATOM 1716 CE2 TYR A 116 9.672 4.232 -6.532 1.00 33.41 C ATOM 1717 CZ TYR A 116 9.735 3.805 -7.838 1.00 62.44 C ATOM 1718 OH TYR A 116 10.952 3.519 -8.394 1.00 64.24 O ATOM 0 H TYR A 116 7.017 7.042 -5.820 1.00 53.10 H new ATOM 0 HA TYR A 116 4.846 5.885 -7.422 1.00 25.35 H new ATOM 0 HB2 TYR A 116 6.086 4.677 -4.947 1.00 24.33 H new ATOM 0 HB3 TYR A 116 5.255 3.869 -6.262 1.00 24.33 H new ATOM 0 HD1 TYR A 116 6.458 3.828 -8.580 1.00 11.42 H new ATOM 0 HD2 TYR A 116 8.413 4.862 -4.942 1.00 34.40 H new ATOM 0 HE1 TYR A 116 8.634 3.294 -9.594 1.00 61.34 H new ATOM 0 HE2 TYR A 116 10.578 4.343 -5.954 1.00 33.41 H new ATOM 0 HH TYR A 116 10.843 3.359 -9.355 1.00 64.24 H new ATOM 1728 N ILE A 117 3.073 5.964 -5.573 1.00 73.33 N ATOM 1729 CA ILE A 117 2.065 6.142 -4.545 1.00 13.21 C ATOM 1730 C ILE A 117 1.441 4.782 -4.255 1.00 43.43 C ATOM 1731 O ILE A 117 0.609 4.290 -5.027 1.00 0.33 O ATOM 1732 CB ILE A 117 0.956 7.168 -4.931 1.00 23.24 C ATOM 1733 CG1 ILE A 117 1.550 8.411 -5.607 1.00 3.13 C ATOM 1734 CG2 ILE A 117 0.202 7.587 -3.673 1.00 25.52 C ATOM 1735 CD1 ILE A 117 0.525 9.302 -6.285 1.00 62.10 C ATOM 0 H ILE A 117 2.745 5.491 -6.415 1.00 73.33 H new ATOM 0 HA ILE A 117 2.555 6.553 -3.663 1.00 13.21 H new ATOM 0 HB ILE A 117 0.279 6.690 -5.639 1.00 23.24 H new ATOM 0 HG12 ILE A 117 2.085 8.996 -4.859 1.00 3.13 H new ATOM 0 HG13 ILE A 117 2.284 8.092 -6.347 1.00 3.13 H new ATOM 0 HG21 ILE A 117 -0.575 8.305 -3.937 1.00 25.52 H new ATOM 0 HG22 ILE A 117 -0.254 6.710 -3.213 1.00 25.52 H new ATOM 0 HG23 ILE A 117 0.896 8.046 -2.969 1.00 25.52 H new ATOM 0 HD11 ILE A 117 1.028 10.157 -6.737 1.00 62.10 H new ATOM 0 HD12 ILE A 117 0.006 8.736 -7.058 1.00 62.10 H new ATOM 0 HD13 ILE A 117 -0.196 9.654 -5.547 1.00 62.10 H new ATOM 1747 N VAL A 118 1.887 4.160 -3.171 1.00 3.14 N ATOM 1748 CA VAL A 118 1.427 2.820 -2.812 1.00 13.20 C ATOM 1749 C VAL A 118 0.119 2.929 -2.040 1.00 31.31 C ATOM 1750 O VAL A 118 0.032 3.662 -1.054 1.00 53.13 O ATOM 1751 CB VAL A 118 2.483 2.043 -1.976 1.00 3.03 C ATOM 1752 CG1 VAL A 118 2.031 0.615 -1.689 1.00 43.51 C ATOM 1753 CG2 VAL A 118 3.828 2.031 -2.688 1.00 21.12 C ATOM 0 H VAL A 118 2.567 4.560 -2.524 1.00 3.14 H new ATOM 0 HA VAL A 118 1.272 2.257 -3.732 1.00 13.20 H new ATOM 0 HB VAL A 118 2.590 2.561 -1.023 1.00 3.03 H new ATOM 0 HG11 VAL A 118 2.794 0.103 -1.103 1.00 43.51 H new ATOM 0 HG12 VAL A 118 1.096 0.635 -1.129 1.00 43.51 H new ATOM 0 HG13 VAL A 118 1.879 0.085 -2.630 1.00 43.51 H new ATOM 0 HG21 VAL A 118 4.553 1.483 -2.087 1.00 21.12 H new ATOM 0 HG22 VAL A 118 3.721 1.547 -3.659 1.00 21.12 H new ATOM 0 HG23 VAL A 118 4.174 3.055 -2.829 1.00 21.12 H new ATOM 1763 N SER A 119 -0.897 2.215 -2.506 1.00 55.20 N ATOM 1764 CA SER A 119 -2.211 2.282 -1.908 1.00 2.52 C ATOM 1765 C SER A 119 -2.662 0.894 -1.460 1.00 31.15 C ATOM 1766 O SER A 119 -2.769 -0.036 -2.265 1.00 14.23 O ATOM 1767 CB SER A 119 -3.210 2.881 -2.906 1.00 24.21 C ATOM 1768 OG SER A 119 -4.486 3.074 -2.319 1.00 31.32 O ATOM 0 H SER A 119 -0.829 1.581 -3.302 1.00 55.20 H new ATOM 0 HA SER A 119 -2.168 2.926 -1.030 1.00 2.52 H new ATOM 0 HB2 SER A 119 -2.830 3.835 -3.273 1.00 24.21 H new ATOM 0 HB3 SER A 119 -3.302 2.221 -3.769 1.00 24.21 H new ATOM 0 HG SER A 119 -5.096 3.458 -2.982 1.00 31.32 H new ATOM 1774 N LEU A 120 -2.881 0.765 -0.168 1.00 53.21 N ATOM 1775 CA LEU A 120 -3.494 -0.423 0.393 1.00 20.25 C ATOM 1776 C LEU A 120 -4.897 -0.054 0.838 1.00 41.33 C ATOM 1777 O LEU A 120 -5.074 0.839 1.664 1.00 23.24 O ATOM 1778 CB LEU A 120 -2.645 -0.972 1.559 1.00 72.41 C ATOM 1779 CG LEU A 120 -3.200 -2.191 2.328 1.00 0.25 C ATOM 1780 CD1 LEU A 120 -3.522 -3.354 1.394 1.00 54.44 C ATOM 1781 CD2 LEU A 120 -2.199 -2.634 3.377 1.00 2.15 C ATOM 0 H LEU A 120 -2.641 1.477 0.521 1.00 53.21 H new ATOM 0 HA LEU A 120 -3.548 -1.218 -0.351 1.00 20.25 H new ATOM 0 HB2 LEU A 120 -1.665 -1.240 1.165 1.00 72.41 H new ATOM 0 HB3 LEU A 120 -2.491 -0.164 2.274 1.00 72.41 H new ATOM 0 HG LEU A 120 -4.130 -1.886 2.809 1.00 0.25 H new ATOM 0 HD11 LEU A 120 -3.910 -4.191 1.975 1.00 54.44 H new ATOM 0 HD12 LEU A 120 -4.270 -3.040 0.666 1.00 54.44 H new ATOM 0 HD13 LEU A 120 -2.616 -3.663 0.872 1.00 54.44 H new ATOM 0 HD21 LEU A 120 -2.595 -3.494 3.917 1.00 2.15 H new ATOM 0 HD22 LEU A 120 -1.262 -2.909 2.893 1.00 2.15 H new ATOM 0 HD23 LEU A 120 -2.020 -1.818 4.076 1.00 2.15 H new ATOM 1793 N ILE A 121 -5.887 -0.712 0.267 1.00 2.43 N ATOM 1794 CA ILE A 121 -7.267 -0.442 0.603 1.00 43.12 C ATOM 1795 C ILE A 121 -7.933 -1.728 1.079 1.00 72.25 C ATOM 1796 O ILE A 121 -7.822 -2.780 0.453 1.00 51.41 O ATOM 1797 CB ILE A 121 -8.060 0.228 -0.571 1.00 43.43 C ATOM 1798 CG1 ILE A 121 -9.546 0.409 -0.191 1.00 0.55 C ATOM 1799 CG2 ILE A 121 -7.915 -0.551 -1.881 1.00 12.53 C ATOM 1800 CD1 ILE A 121 -10.355 1.245 -1.163 1.00 52.55 C ATOM 0 H ILE A 121 -5.758 -1.441 -0.435 1.00 2.43 H new ATOM 0 HA ILE A 121 -7.281 0.287 1.413 1.00 43.12 H new ATOM 0 HB ILE A 121 -7.625 1.213 -0.739 1.00 43.43 H new ATOM 0 HG12 ILE A 121 -10.008 -0.575 -0.109 1.00 0.55 H new ATOM 0 HG13 ILE A 121 -9.600 0.870 0.795 1.00 0.55 H new ATOM 0 HG21 ILE A 121 -8.481 -0.050 -2.667 1.00 12.53 H new ATOM 0 HG22 ILE A 121 -6.863 -0.595 -2.163 1.00 12.53 H new ATOM 0 HG23 ILE A 121 -8.298 -1.563 -1.747 1.00 12.53 H new ATOM 0 HD11 ILE A 121 -11.385 1.316 -0.813 1.00 52.55 H new ATOM 0 HD12 ILE A 121 -9.925 2.244 -1.229 1.00 52.55 H new ATOM 0 HD13 ILE A 121 -10.338 0.777 -2.147 1.00 52.55 H new ATOM 1812 N VAL A 122 -8.579 -1.642 2.225 1.00 3.25 N ATOM 1813 CA VAL A 122 -9.257 -2.781 2.807 1.00 1.34 C ATOM 1814 C VAL A 122 -10.746 -2.486 2.943 1.00 5.53 C ATOM 1815 O VAL A 122 -11.151 -1.325 3.025 1.00 33.34 O ATOM 1816 CB VAL A 122 -8.640 -3.207 4.169 1.00 51.11 C ATOM 1817 CG1 VAL A 122 -7.229 -3.744 3.972 1.00 52.25 C ATOM 1818 CG2 VAL A 122 -8.627 -2.062 5.169 1.00 30.15 C ATOM 0 H VAL A 122 -8.648 -0.786 2.775 1.00 3.25 H new ATOM 0 HA VAL A 122 -9.123 -3.627 2.133 1.00 1.34 H new ATOM 0 HB VAL A 122 -9.271 -3.997 4.576 1.00 51.11 H new ATOM 0 HG11 VAL A 122 -6.813 -4.037 4.936 1.00 52.25 H new ATOM 0 HG12 VAL A 122 -7.258 -4.610 3.311 1.00 52.25 H new ATOM 0 HG13 VAL A 122 -6.604 -2.970 3.528 1.00 52.25 H new ATOM 0 HG21 VAL A 122 -8.188 -2.403 6.107 1.00 30.15 H new ATOM 0 HG22 VAL A 122 -8.036 -1.237 4.770 1.00 30.15 H new ATOM 0 HG23 VAL A 122 -9.648 -1.724 5.348 1.00 30.15 H new ATOM 1828 N SER A 123 -11.567 -3.526 2.948 1.00 21.05 N ATOM 1829 CA SER A 123 -13.013 -3.355 2.887 1.00 44.02 C ATOM 1830 C SER A 123 -13.734 -4.261 3.875 1.00 73.01 C ATOM 1831 O SER A 123 -13.220 -5.305 4.289 1.00 5.24 O ATOM 1832 CB SER A 123 -13.521 -3.638 1.466 1.00 24.51 C ATOM 1833 OG SER A 123 -12.932 -2.761 0.518 1.00 44.41 O ATOM 0 H SER A 123 -11.258 -4.497 2.994 1.00 21.05 H new ATOM 0 HA SER A 123 -13.229 -2.321 3.157 1.00 44.02 H new ATOM 0 HB2 SER A 123 -13.296 -4.670 1.197 1.00 24.51 H new ATOM 0 HB3 SER A 123 -14.605 -3.530 1.438 1.00 24.51 H new ATOM 0 HG SER A 123 -13.275 -2.968 -0.376 1.00 44.41 H new ATOM 1839 N ASN A 124 -14.920 -3.813 4.250 1.00 12.21 N ATOM 1840 CA ASN A 124 -15.860 -4.563 5.069 1.00 30.52 C ATOM 1841 C ASN A 124 -17.268 -4.139 4.616 1.00 12.33 C ATOM 1842 O ASN A 124 -17.392 -3.244 3.772 1.00 61.32 O ATOM 1843 CB ASN A 124 -15.608 -4.257 6.570 1.00 75.45 C ATOM 1844 CG ASN A 124 -16.389 -5.142 7.537 1.00 34.41 C ATOM 1845 OD1 ASN A 124 -16.745 -6.273 7.217 1.00 43.22 O ATOM 1846 ND2 ASN A 124 -16.672 -4.632 8.715 1.00 22.25 N ATOM 0 H ASN A 124 -15.267 -2.891 3.986 1.00 12.21 H new ATOM 0 HA ASN A 124 -15.744 -5.640 4.950 1.00 30.52 H new ATOM 0 HB2 ASN A 124 -14.543 -4.367 6.776 1.00 75.45 H new ATOM 0 HB3 ASN A 124 -15.864 -3.215 6.763 1.00 75.45 H new ATOM 0 HD21 ASN A 124 -17.202 -5.179 9.394 1.00 22.25 H new ATOM 0 HD22 ASN A 124 -16.362 -3.689 8.950 1.00 22.25 H new ATOM 1853 N GLU A 125 -18.318 -4.747 5.172 1.00 74.12 N ATOM 1854 CA GLU A 125 -19.705 -4.416 4.840 1.00 2.32 C ATOM 1855 C GLU A 125 -20.136 -3.073 5.455 1.00 20.41 C ATOM 1856 O GLU A 125 -21.161 -2.512 5.074 1.00 23.12 O ATOM 1857 CB GLU A 125 -20.633 -5.531 5.335 1.00 42.34 C ATOM 1858 CG GLU A 125 -20.519 -5.808 6.831 1.00 3.04 C ATOM 1859 CD GLU A 125 -21.437 -6.907 7.305 1.00 61.04 C ATOM 1860 OE1 GLU A 125 -22.624 -6.623 7.566 1.00 65.10 O ATOM 1861 OE2 GLU A 125 -20.973 -8.055 7.441 1.00 42.12 O ATOM 0 H GLU A 125 -18.229 -5.487 5.869 1.00 74.12 H new ATOM 0 HA GLU A 125 -19.776 -4.324 3.756 1.00 2.32 H new ATOM 0 HB2 GLU A 125 -21.664 -5.263 5.102 1.00 42.34 H new ATOM 0 HB3 GLU A 125 -20.410 -6.447 4.787 1.00 42.34 H new ATOM 0 HG2 GLU A 125 -19.489 -6.077 7.066 1.00 3.04 H new ATOM 0 HG3 GLU A 125 -20.743 -4.894 7.381 1.00 3.04 H new ATOM 1868 N ASN A 126 -19.332 -2.566 6.390 1.00 72.20 N ATOM 1869 CA ASN A 126 -19.625 -1.325 7.084 1.00 75.34 C ATOM 1870 C ASN A 126 -19.014 -0.154 6.322 1.00 42.53 C ATOM 1871 O ASN A 126 -19.724 0.765 5.922 1.00 34.20 O ATOM 1872 CB ASN A 126 -19.071 -1.381 8.516 1.00 22.31 C ATOM 1873 CG ASN A 126 -19.567 -0.240 9.385 1.00 13.35 C ATOM 1874 OD1 ASN A 126 -20.666 0.274 9.199 1.00 1.35 O ATOM 1875 ND2 ASN A 126 -18.761 0.144 10.354 1.00 65.22 N ATOM 0 H ASN A 126 -18.461 -3.009 6.683 1.00 72.20 H new ATOM 0 HA ASN A 126 -20.705 -1.187 7.135 1.00 75.34 H new ATOM 0 HB2 ASN A 126 -19.354 -2.329 8.973 1.00 22.31 H new ATOM 0 HB3 ASN A 126 -17.982 -1.357 8.480 1.00 22.31 H new ATOM 0 HD21 ASN A 126 -19.043 0.895 10.984 1.00 65.22 H new ATOM 0 HD22 ASN A 126 -17.855 -0.310 10.474 1.00 65.22 H new ATOM 1882 N ASP A 127 -17.697 -0.210 6.108 1.00 51.02 N ATOM 1883 CA ASP A 127 -16.978 0.862 5.430 1.00 51.51 C ATOM 1884 C ASP A 127 -15.746 0.296 4.720 1.00 60.12 C ATOM 1885 O ASP A 127 -15.434 -0.890 4.860 1.00 21.32 O ATOM 1886 CB ASP A 127 -16.555 1.933 6.451 1.00 31.31 C ATOM 1887 CG ASP A 127 -16.558 3.342 5.888 1.00 12.15 C ATOM 1888 OD1 ASP A 127 -15.542 3.765 5.315 1.00 32.24 O ATOM 1889 OD2 ASP A 127 -17.581 4.033 6.032 1.00 2.22 O ATOM 0 H ASP A 127 -17.108 -0.991 6.397 1.00 51.02 H new ATOM 0 HA ASP A 127 -17.633 1.319 4.688 1.00 51.51 H new ATOM 0 HB2 ASP A 127 -17.227 1.892 7.308 1.00 31.31 H new ATOM 0 HB3 ASP A 127 -15.556 1.699 6.818 1.00 31.31 H new ATOM 1894 N SER A 128 -15.068 1.133 3.950 1.00 63.40 N ATOM 1895 CA SER A 128 -13.794 0.779 3.349 1.00 63.52 C ATOM 1896 C SER A 128 -12.761 1.840 3.714 1.00 3.31 C ATOM 1897 O SER A 128 -13.028 3.041 3.611 1.00 22.22 O ATOM 1898 CB SER A 128 -13.929 0.645 1.826 1.00 63.54 C ATOM 1899 OG SER A 128 -14.446 1.834 1.253 1.00 64.45 O ATOM 0 H SER A 128 -15.386 2.076 3.725 1.00 63.40 H new ATOM 0 HA SER A 128 -13.468 -0.187 3.734 1.00 63.52 H new ATOM 0 HB2 SER A 128 -12.956 0.421 1.390 1.00 63.54 H new ATOM 0 HB3 SER A 128 -14.585 -0.192 1.588 1.00 63.54 H new ATOM 0 HG SER A 128 -14.178 2.603 1.798 1.00 64.45 H new ATOM 1905 N ASP A 129 -11.594 1.401 4.152 1.00 25.21 N ATOM 1906 CA ASP A 129 -10.554 2.317 4.599 1.00 54.43 C ATOM 1907 C ASP A 129 -9.318 2.125 3.744 1.00 53.43 C ATOM 1908 O ASP A 129 -8.935 0.989 3.462 1.00 15.15 O ATOM 1909 CB ASP A 129 -10.234 2.066 6.075 1.00 2.14 C ATOM 1910 CG ASP A 129 -9.381 3.155 6.693 1.00 21.45 C ATOM 1911 OD1 ASP A 129 -9.949 4.154 7.176 1.00 63.00 O ATOM 1912 OD2 ASP A 129 -8.146 3.025 6.703 1.00 61.53 O ATOM 0 H ASP A 129 -11.341 0.415 4.208 1.00 25.21 H new ATOM 0 HA ASP A 129 -10.901 3.345 4.495 1.00 54.43 H new ATOM 0 HB2 ASP A 129 -11.166 1.983 6.633 1.00 2.14 H new ATOM 0 HB3 ASP A 129 -9.718 1.111 6.171 1.00 2.14 H new ATOM 1917 N SER A 130 -8.704 3.217 3.314 1.00 55.05 N ATOM 1918 CA SER A 130 -7.506 3.145 2.503 1.00 4.42 C ATOM 1919 C SER A 130 -6.387 4.006 3.082 1.00 73.23 C ATOM 1920 O SER A 130 -6.635 5.090 3.620 1.00 32.13 O ATOM 1921 CB SER A 130 -7.810 3.577 1.064 1.00 50.11 C ATOM 1922 OG SER A 130 -8.442 4.850 1.025 1.00 70.12 O ATOM 0 H SER A 130 -9.020 4.165 3.516 1.00 55.05 H new ATOM 0 HA SER A 130 -7.168 2.109 2.502 1.00 4.42 H new ATOM 0 HB2 SER A 130 -6.884 3.612 0.490 1.00 50.11 H new ATOM 0 HB3 SER A 130 -8.452 2.836 0.588 1.00 50.11 H new ATOM 0 HG SER A 130 -8.621 5.098 0.094 1.00 70.12 H new ATOM 1928 N ALA A 131 -5.165 3.510 2.965 1.00 2.13 N ATOM 1929 CA ALA A 131 -3.978 4.259 3.341 1.00 72.43 C ATOM 1930 C ALA A 131 -3.065 4.351 2.137 1.00 2.51 C ATOM 1931 O ALA A 131 -2.904 3.371 1.400 1.00 74.13 O ATOM 1932 CB ALA A 131 -3.260 3.602 4.509 1.00 14.14 C ATOM 0 H ALA A 131 -4.969 2.576 2.606 1.00 2.13 H new ATOM 0 HA ALA A 131 -4.269 5.259 3.663 1.00 72.43 H new ATOM 0 HB1 ALA A 131 -2.376 4.185 4.767 1.00 14.14 H new ATOM 0 HB2 ALA A 131 -3.929 3.557 5.368 1.00 14.14 H new ATOM 0 HB3 ALA A 131 -2.959 2.592 4.230 1.00 14.14 H new ATOM 1938 N SER A 132 -2.493 5.520 1.913 1.00 32.33 N ATOM 1939 CA SER A 132 -1.633 5.727 0.771 1.00 31.13 C ATOM 1940 C SER A 132 -0.473 6.638 1.157 1.00 25.13 C ATOM 1941 O SER A 132 -0.660 7.609 1.903 1.00 72.11 O ATOM 1942 CB SER A 132 -2.446 6.322 -0.385 1.00 24.24 C ATOM 1943 OG SER A 132 -1.815 6.081 -1.625 1.00 74.34 O ATOM 0 H SER A 132 -2.611 6.339 2.510 1.00 32.33 H new ATOM 0 HA SER A 132 -1.220 4.773 0.443 1.00 31.13 H new ATOM 0 HB2 SER A 132 -3.446 5.889 -0.392 1.00 24.24 H new ATOM 0 HB3 SER A 132 -2.565 7.395 -0.236 1.00 24.24 H new ATOM 0 HG SER A 132 -1.225 5.302 -1.546 1.00 74.34 H new ATOM 1949 N VAL A 133 0.720 6.323 0.663 1.00 43.31 N ATOM 1950 CA VAL A 133 1.922 7.068 1.025 1.00 43.21 C ATOM 1951 C VAL A 133 2.798 7.302 -0.228 1.00 5.01 C ATOM 1952 O VAL A 133 2.816 6.478 -1.158 1.00 45.43 O ATOM 1953 CB VAL A 133 2.701 6.341 2.179 1.00 64.52 C ATOM 1954 CG1 VAL A 133 3.249 4.991 1.748 1.00 34.21 C ATOM 1955 CG2 VAL A 133 3.816 7.205 2.760 1.00 61.30 C ATOM 0 H VAL A 133 0.881 5.556 0.010 1.00 43.31 H new ATOM 0 HA VAL A 133 1.637 8.047 1.410 1.00 43.21 H new ATOM 0 HB VAL A 133 1.966 6.167 2.965 1.00 64.52 H new ATOM 0 HG11 VAL A 133 3.779 4.530 2.582 1.00 34.21 H new ATOM 0 HG12 VAL A 133 2.426 4.346 1.440 1.00 34.21 H new ATOM 0 HG13 VAL A 133 3.936 5.127 0.913 1.00 34.21 H new ATOM 0 HG21 VAL A 133 4.324 6.658 3.554 1.00 61.30 H new ATOM 0 HG22 VAL A 133 4.531 7.453 1.975 1.00 61.30 H new ATOM 0 HG23 VAL A 133 3.391 8.123 3.167 1.00 61.30 H new ATOM 1965 N THR A 134 3.469 8.453 -0.261 1.00 31.25 N ATOM 1966 CA THR A 134 4.336 8.840 -1.364 1.00 52.42 C ATOM 1967 C THR A 134 5.751 8.289 -1.154 1.00 64.25 C ATOM 1968 O THR A 134 6.399 8.548 -0.139 1.00 21.32 O ATOM 1969 CB THR A 134 4.375 10.383 -1.496 1.00 63.45 C ATOM 1970 OG1 THR A 134 3.053 10.878 -1.734 1.00 12.41 O ATOM 1971 CG2 THR A 134 5.296 10.843 -2.615 1.00 23.11 C ATOM 0 H THR A 134 3.423 9.146 0.486 1.00 31.25 H new ATOM 0 HA THR A 134 3.935 8.418 -2.285 1.00 52.42 H new ATOM 0 HB THR A 134 4.768 10.781 -0.560 1.00 63.45 H new ATOM 0 HG1 THR A 134 3.079 11.854 -1.816 1.00 12.41 H new ATOM 0 HG21 THR A 134 5.289 11.932 -2.667 1.00 23.11 H new ATOM 0 HG22 THR A 134 6.310 10.496 -2.418 1.00 23.11 H new ATOM 0 HG23 THR A 134 4.950 10.432 -3.563 1.00 23.11 H new ATOM 1979 N ILE A 135 6.197 7.505 -2.119 1.00 41.31 N ATOM 1980 CA ILE A 135 7.522 6.906 -2.096 1.00 43.23 C ATOM 1981 C ILE A 135 8.381 7.621 -3.126 1.00 41.13 C ATOM 1982 O ILE A 135 8.030 7.671 -4.303 1.00 73.12 O ATOM 1983 CB ILE A 135 7.485 5.383 -2.444 1.00 44.02 C ATOM 1984 CG1 ILE A 135 6.320 4.662 -1.735 1.00 63.21 C ATOM 1985 CG2 ILE A 135 8.820 4.705 -2.107 1.00 11.02 C ATOM 1986 CD1 ILE A 135 6.351 4.723 -0.219 1.00 1.42 C ATOM 0 H ILE A 135 5.649 7.264 -2.945 1.00 41.31 H new ATOM 0 HA ILE A 135 7.928 7.007 -1.090 1.00 43.23 H new ATOM 0 HB ILE A 135 7.320 5.305 -3.519 1.00 44.02 H new ATOM 0 HG12 ILE A 135 5.381 5.095 -2.081 1.00 63.21 H new ATOM 0 HG13 ILE A 135 6.321 3.616 -2.041 1.00 63.21 H new ATOM 0 HG21 ILE A 135 8.764 3.646 -2.360 1.00 11.02 H new ATOM 0 HG22 ILE A 135 9.621 5.173 -2.680 1.00 11.02 H new ATOM 0 HG23 ILE A 135 9.024 4.813 -1.042 1.00 11.02 H new ATOM 0 HD11 ILE A 135 5.491 4.188 0.184 1.00 1.42 H new ATOM 0 HD12 ILE A 135 7.269 4.262 0.145 1.00 1.42 H new ATOM 0 HD13 ILE A 135 6.315 5.763 0.104 1.00 1.42 H new ATOM 1998 N ARG A 136 9.502 8.173 -2.698 1.00 43.04 N ATOM 1999 CA ARG A 136 10.344 8.935 -3.607 1.00 33.43 C ATOM 2000 C ARG A 136 11.604 8.151 -3.935 1.00 13.31 C ATOM 2001 O ARG A 136 12.324 7.719 -3.031 1.00 11.55 O ATOM 2002 CB ARG A 136 10.708 10.308 -3.020 1.00 65.01 C ATOM 2003 CG ARG A 136 9.505 11.189 -2.700 1.00 22.41 C ATOM 2004 CD ARG A 136 9.241 11.248 -1.204 1.00 21.44 C ATOM 2005 NE ARG A 136 10.305 11.961 -0.479 1.00 20.13 N ATOM 2006 CZ ARG A 136 10.357 12.115 0.848 1.00 14.35 C ATOM 2007 NH1 ARG A 136 9.458 11.545 1.646 1.00 41.14 N ATOM 2008 NH2 ARG A 136 11.330 12.838 1.387 1.00 65.32 N ATOM 0 H ARG A 136 9.848 8.111 -1.741 1.00 43.04 H new ATOM 0 HA ARG A 136 9.779 9.105 -4.524 1.00 33.43 H new ATOM 0 HB2 ARG A 136 11.288 10.159 -2.109 1.00 65.01 H new ATOM 0 HB3 ARG A 136 11.352 10.833 -3.725 1.00 65.01 H new ATOM 0 HG2 ARG A 136 9.678 12.196 -3.080 1.00 22.41 H new ATOM 0 HG3 ARG A 136 8.623 10.803 -3.211 1.00 22.41 H new ATOM 0 HD2 ARG A 136 8.287 11.743 -1.025 1.00 21.44 H new ATOM 0 HD3 ARG A 136 9.153 10.235 -0.812 1.00 21.44 H new ATOM 0 HE ARG A 136 11.060 12.369 -1.031 1.00 20.13 H new ATOM 0 HH11 ARG A 136 8.710 10.977 1.248 1.00 41.14 H new ATOM 0 HH12 ARG A 136 9.517 11.676 2.656 1.00 41.14 H new ATOM 0 HH21 ARG A 136 12.033 13.273 0.790 1.00 65.32 H new ATOM 0 HH22 ARG A 136 11.375 12.959 2.399 1.00 65.32 H new ATOM 2022 N ALA A 137 11.855 7.957 -5.221 1.00 53.23 N ATOM 2023 CA ALA A 137 13.027 7.222 -5.663 1.00 73.04 C ATOM 2024 C ALA A 137 14.014 8.138 -6.353 1.00 43.22 C ATOM 2025 O ALA A 137 13.627 8.955 -7.190 1.00 31.31 O ATOM 2026 CB ALA A 137 12.655 6.071 -6.578 1.00 41.13 C ATOM 0 H ALA A 137 11.261 8.299 -5.976 1.00 53.23 H new ATOM 0 HA ALA A 137 13.499 6.806 -4.773 1.00 73.04 H new ATOM 0 HB1 ALA A 137 13.558 5.546 -6.887 1.00 41.13 H new ATOM 0 HB2 ALA A 137 11.998 5.382 -6.047 1.00 41.13 H new ATOM 0 HB3 ALA A 137 12.141 6.457 -7.458 1.00 41.13 H new ATOM 2032 N LEU A 138 15.280 7.985 -5.982 1.00 22.05 N ATOM 2033 CA LEU A 138 16.369 8.759 -6.556 1.00 63.35 C ATOM 2034 C LEU A 138 16.716 8.241 -7.936 1.00 3.40 C ATOM 2035 O LEU A 138 16.902 7.035 -8.134 1.00 4.13 O ATOM 2036 CB LEU A 138 17.606 8.724 -5.646 1.00 23.22 C ATOM 2037 CG LEU A 138 17.429 9.375 -4.271 1.00 72.11 C ATOM 2038 CD1 LEU A 138 18.725 9.299 -3.478 1.00 30.12 C ATOM 2039 CD2 LEU A 138 16.969 10.818 -4.417 1.00 11.24 C ATOM 0 H LEU A 138 15.579 7.317 -5.271 1.00 22.05 H new ATOM 0 HA LEU A 138 16.039 9.794 -6.644 1.00 63.35 H new ATOM 0 HB2 LEU A 138 17.901 7.685 -5.502 1.00 23.22 H new ATOM 0 HB3 LEU A 138 18.429 9.220 -6.161 1.00 23.22 H new ATOM 0 HG LEU A 138 16.660 8.828 -3.725 1.00 72.11 H new ATOM 0 HD11 LEU A 138 18.583 9.766 -2.503 1.00 30.12 H new ATOM 0 HD12 LEU A 138 19.008 8.255 -3.343 1.00 30.12 H new ATOM 0 HD13 LEU A 138 19.514 9.822 -4.019 1.00 30.12 H new ATOM 0 HD21 LEU A 138 16.849 11.263 -3.429 1.00 11.24 H new ATOM 0 HD22 LEU A 138 17.712 11.381 -4.981 1.00 11.24 H new ATOM 0 HD23 LEU A 138 16.016 10.844 -4.945 1.00 11.24 H new