USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 677 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 61 HIS : no HD1:sc= -1.5 K(o=-1.2,f=-6.3!) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0.294 USER MOD Set 2.1: A 33 SER OG : rot 180:sc=-0.00117 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= -0.235 USER MOD Single : A 1 ALA N :NH3+ -174:sc= 0 (180deg=-0.0459) USER MOD Single : A 2 THR OG1 : rot 47:sc= 0.948 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.000445 USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -0.951 (180deg=-1.14!) USER MOD Single : A 11 THR OG1 : rot 66:sc= -0.519 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -16:sc= 0.149 USER MOD Single : A 21 SER OG : rot 180:sc= -1.97! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.4) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 29 THR OG1 : rot 72:sc= 0.107 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.078 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00357 USER MOD Single : A 45 THR OG1 : rot 146:sc= -0.393 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 47:sc= 0.00454 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.553 K(o=-0.55,f=-2.4) USER MOD Single : A 70 ASN : amide:sc= -2.03 K(o=-2,f=-2.6) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.571 USER MOD Single : A 80 SER OG : rot 180:sc= 0.00581 USER MOD Single : A 84 ASN : amide:sc= -1.68 K(o=-1.7,f=-0.78) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 94 CYS SG : rot -115:sc= 0.224 USER MOD Single : A 95 LYS NZ :NH3+ -144:sc= -0.0018 (180deg=-0.126) USER MOD Single : A 97 ASN : amide:sc= -0.0746 K(o=-0.075,f=-0.82) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 137:sc= 0.449 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 105 SER OG : rot -59:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.221 18.468 27.070 1.00 21.13 N ATOM 2 CA ALA A 1 -22.346 19.361 26.822 1.00 34.21 C ATOM 3 C ALA A 1 -22.089 20.241 25.603 1.00 21.12 C ATOM 4 O ALA A 1 -22.973 20.434 24.768 1.00 43.40 O ATOM 5 CB ALA A 1 -22.616 20.220 28.048 1.00 43.41 C ATOM 0 H1 ALA A 1 -21.462 17.812 27.840 1.00 21.13 H new ATOM 0 H2 ALA A 1 -21.010 17.927 26.207 1.00 21.13 H new ATOM 0 H3 ALA A 1 -20.387 19.027 27.340 1.00 21.13 H new ATOM 0 HA ALA A 1 -23.226 18.751 26.618 1.00 34.21 H new ATOM 0 HB1 ALA A 1 -23.459 20.883 27.850 1.00 43.41 H new ATOM 0 HB2 ALA A 1 -22.851 19.578 28.897 1.00 43.41 H new ATOM 0 HB3 ALA A 1 -21.732 20.816 28.277 1.00 43.41 H new ATOM 11 N THR A 2 -20.875 20.772 25.506 1.00 31.40 N ATOM 12 CA THR A 2 -20.503 21.632 24.390 1.00 64.32 C ATOM 13 C THR A 2 -19.045 21.425 23.998 1.00 13.32 C ATOM 14 O THR A 2 -18.165 22.174 24.424 1.00 31.23 O ATOM 15 CB THR A 2 -20.726 23.118 24.729 1.00 41.42 C ATOM 16 OG1 THR A 2 -19.923 23.491 25.854 1.00 74.22 O ATOM 17 CG2 THR A 2 -22.191 23.391 25.033 1.00 64.42 C ATOM 0 H THR A 2 -20.132 20.621 26.188 1.00 31.40 H new ATOM 0 HA THR A 2 -21.143 21.357 23.552 1.00 64.32 H new ATOM 0 HB THR A 2 -20.435 23.712 23.863 1.00 41.42 H new ATOM 0 HG1 THR A 2 -19.009 23.161 25.727 1.00 74.22 H new ATOM 0 HG21 THR A 2 -22.323 24.447 25.269 1.00 64.42 H new ATOM 0 HG22 THR A 2 -22.797 23.135 24.164 1.00 64.42 H new ATOM 0 HG23 THR A 2 -22.505 22.787 25.884 1.00 64.42 H new ATOM 25 N SER A 3 -18.796 20.405 23.183 1.00 75.12 N ATOM 26 CA SER A 3 -17.442 20.098 22.736 1.00 11.43 C ATOM 27 C SER A 3 -17.457 19.002 21.673 1.00 71.24 C ATOM 28 O SER A 3 -18.515 18.620 21.176 1.00 11.53 O ATOM 29 CB SER A 3 -16.576 19.664 23.920 1.00 42.31 C ATOM 30 OG SER A 3 -16.820 18.312 24.262 1.00 31.34 O ATOM 0 H SER A 3 -19.513 19.778 22.819 1.00 75.12 H new ATOM 0 HA SER A 3 -17.017 21.001 22.297 1.00 11.43 H new ATOM 0 HB2 SER A 3 -15.523 19.795 23.671 1.00 42.31 H new ATOM 0 HB3 SER A 3 -16.783 20.303 24.779 1.00 42.31 H new ATOM 0 HG SER A 3 -16.253 18.059 25.020 1.00 31.34 H new ATOM 36 N ALA A 4 -16.273 18.501 21.333 1.00 3.22 N ATOM 37 CA ALA A 4 -16.149 17.448 20.333 1.00 43.42 C ATOM 38 C ALA A 4 -16.165 16.070 20.982 1.00 33.41 C ATOM 39 O ALA A 4 -15.491 15.836 21.986 1.00 31.22 O ATOM 40 CB ALA A 4 -14.875 17.638 19.523 1.00 42.14 C ATOM 0 H ALA A 4 -15.387 18.808 21.735 1.00 3.22 H new ATOM 0 HA ALA A 4 -17.006 17.514 19.663 1.00 43.42 H new ATOM 0 HB1 ALA A 4 -14.795 16.845 18.780 1.00 42.14 H new ATOM 0 HB2 ALA A 4 -14.904 18.605 19.020 1.00 42.14 H new ATOM 0 HB3 ALA A 4 -14.012 17.601 20.188 1.00 42.14 H new ATOM 46 N THR A 5 -16.940 15.156 20.404 1.00 40.24 N ATOM 47 CA THR A 5 -17.044 13.801 20.928 1.00 24.14 C ATOM 48 C THR A 5 -17.329 12.801 19.813 1.00 21.14 C ATOM 49 O THR A 5 -17.647 13.185 18.689 1.00 1.24 O ATOM 50 CB THR A 5 -18.153 13.695 21.992 1.00 34.45 C ATOM 51 OG1 THR A 5 -19.191 14.641 21.715 1.00 34.50 O ATOM 52 CG2 THR A 5 -17.593 13.942 23.385 1.00 15.04 C ATOM 0 H THR A 5 -17.504 15.331 19.573 1.00 40.24 H new ATOM 0 HA THR A 5 -16.084 13.565 21.388 1.00 24.14 H new ATOM 0 HB THR A 5 -18.563 12.686 21.957 1.00 34.45 H new ATOM 0 HG1 THR A 5 -19.892 14.565 22.395 1.00 34.50 H new ATOM 0 HG21 THR A 5 -18.395 13.862 24.119 1.00 15.04 H new ATOM 0 HG22 THR A 5 -16.824 13.201 23.605 1.00 15.04 H new ATOM 0 HG23 THR A 5 -17.158 14.940 23.431 1.00 15.04 H new ATOM 60 N ALA A 6 -17.213 11.516 20.132 1.00 73.24 N ATOM 61 CA ALA A 6 -17.460 10.461 19.158 1.00 73.10 C ATOM 62 C ALA A 6 -18.015 9.211 19.832 1.00 12.23 C ATOM 63 O ALA A 6 -17.929 9.058 21.051 1.00 41.24 O ATOM 64 CB ALA A 6 -16.182 10.131 18.401 1.00 41.35 C ATOM 0 H ALA A 6 -16.949 11.181 21.059 1.00 73.24 H new ATOM 0 HA ALA A 6 -18.206 10.822 18.450 1.00 73.10 H new ATOM 0 HB1 ALA A 6 -16.382 9.341 17.677 1.00 41.35 H new ATOM 0 HB2 ALA A 6 -15.828 11.020 17.880 1.00 41.35 H new ATOM 0 HB3 ALA A 6 -15.419 9.795 19.104 1.00 41.35 H new ATOM 70 N THR A 7 -18.585 8.316 19.030 1.00 31.00 N ATOM 71 CA THR A 7 -19.156 7.079 19.549 1.00 43.32 C ATOM 72 C THR A 7 -18.879 5.910 18.612 1.00 12.41 C ATOM 73 O THR A 7 -19.138 5.990 17.410 1.00 22.54 O ATOM 74 CB THR A 7 -20.677 7.207 19.757 1.00 13.21 C ATOM 75 OG1 THR A 7 -20.994 8.506 20.267 1.00 45.31 O ATOM 76 CG2 THR A 7 -21.182 6.142 20.719 1.00 22.30 C ATOM 0 H THR A 7 -18.663 8.425 18.019 1.00 31.00 H new ATOM 0 HA THR A 7 -18.680 6.890 20.511 1.00 43.32 H new ATOM 0 HB THR A 7 -21.167 7.066 18.793 1.00 13.21 H new ATOM 0 HG1 THR A 7 -21.963 8.580 20.395 1.00 45.31 H new ATOM 0 HG21 THR A 7 -22.258 6.252 20.851 1.00 22.30 H new ATOM 0 HG22 THR A 7 -20.965 5.154 20.314 1.00 22.30 H new ATOM 0 HG23 THR A 7 -20.685 6.257 21.682 1.00 22.30 H new ATOM 84 N PHE A 8 -18.350 4.825 19.167 1.00 23.22 N ATOM 85 CA PHE A 8 -18.038 3.637 18.379 1.00 62.13 C ATOM 86 C PHE A 8 -19.312 2.980 17.858 1.00 23.13 C ATOM 87 O PHE A 8 -20.337 2.963 18.538 1.00 43.13 O ATOM 88 CB PHE A 8 -17.241 2.638 19.219 1.00 33.44 C ATOM 89 CG PHE A 8 -16.959 1.346 18.505 1.00 74.23 C ATOM 90 CD1 PHE A 8 -16.352 1.347 17.260 1.00 12.14 C ATOM 91 CD2 PHE A 8 -17.300 0.132 19.080 1.00 53.44 C ATOM 92 CE1 PHE A 8 -16.090 0.160 16.601 1.00 11.03 C ATOM 93 CE2 PHE A 8 -17.041 -1.057 18.426 1.00 53.10 C ATOM 94 CZ PHE A 8 -16.436 -1.043 17.184 1.00 14.21 C ATOM 0 H PHE A 8 -18.128 4.743 20.159 1.00 23.22 H new ATOM 0 HA PHE A 8 -17.435 3.945 17.525 1.00 62.13 H new ATOM 0 HB2 PHE A 8 -16.296 3.095 19.514 1.00 33.44 H new ATOM 0 HB3 PHE A 8 -17.791 2.425 20.135 1.00 33.44 H new ATOM 0 HD1 PHE A 8 -16.080 2.285 16.799 1.00 12.14 H new ATOM 0 HD2 PHE A 8 -17.774 0.115 20.050 1.00 53.44 H new ATOM 0 HE1 PHE A 8 -15.615 0.174 15.631 1.00 11.03 H new ATOM 0 HE2 PHE A 8 -17.311 -1.996 18.885 1.00 53.10 H new ATOM 0 HZ PHE A 8 -16.234 -1.971 16.670 1.00 14.21 H new ATOM 104 N ALA A 9 -19.239 2.439 16.646 1.00 53.11 N ATOM 105 CA ALA A 9 -20.385 1.778 16.033 1.00 43.04 C ATOM 106 C ALA A 9 -19.939 0.659 15.099 1.00 55.42 C ATOM 107 O ALA A 9 -18.812 0.663 14.603 1.00 12.33 O ATOM 108 CB ALA A 9 -21.235 2.790 15.279 1.00 62.40 C ATOM 0 H ALA A 9 -18.398 2.446 16.069 1.00 53.11 H new ATOM 0 HA ALA A 9 -20.985 1.334 16.827 1.00 43.04 H new ATOM 0 HB1 ALA A 9 -22.087 2.284 14.826 1.00 62.40 H new ATOM 0 HB2 ALA A 9 -21.592 3.553 15.971 1.00 62.40 H new ATOM 0 HB3 ALA A 9 -20.635 3.260 14.499 1.00 62.40 H new ATOM 114 N LYS A 10 -20.829 -0.298 14.863 1.00 32.54 N ATOM 115 CA LYS A 10 -20.528 -1.425 13.988 1.00 33.13 C ATOM 116 C LYS A 10 -21.264 -1.294 12.659 1.00 65.21 C ATOM 117 O LYS A 10 -22.496 -1.308 12.615 1.00 34.21 O ATOM 118 CB LYS A 10 -20.910 -2.742 14.668 1.00 13.24 C ATOM 119 CG LYS A 10 -19.938 -3.875 14.388 1.00 73.32 C ATOM 120 CD LYS A 10 -20.049 -4.365 12.954 1.00 41.25 C ATOM 121 CE LYS A 10 -18.812 -5.141 12.533 1.00 14.14 C ATOM 122 NZ LYS A 10 -18.521 -6.269 13.461 1.00 51.32 N ATOM 0 H LYS A 10 -21.766 -0.316 15.266 1.00 32.54 H new ATOM 0 HA LYS A 10 -19.456 -1.423 13.791 1.00 33.13 H new ATOM 0 HB2 LYS A 10 -20.968 -2.582 15.745 1.00 13.24 H new ATOM 0 HB3 LYS A 10 -21.905 -3.038 14.336 1.00 13.24 H new ATOM 0 HG2 LYS A 10 -18.920 -3.537 14.580 1.00 73.32 H new ATOM 0 HG3 LYS A 10 -20.134 -4.701 15.072 1.00 73.32 H new ATOM 0 HD2 LYS A 10 -20.930 -4.999 12.852 1.00 41.25 H new ATOM 0 HD3 LYS A 10 -20.190 -3.514 12.288 1.00 41.25 H new ATOM 0 HE2 LYS A 10 -18.952 -5.528 11.524 1.00 14.14 H new ATOM 0 HE3 LYS A 10 -17.955 -4.468 12.500 1.00 14.14 H new ATOM 0 HZ1 LYS A 10 -17.803 -6.891 13.037 1.00 51.32 H new ATOM 0 HZ2 LYS A 10 -18.165 -5.893 14.363 1.00 51.32 H new ATOM 0 HZ3 LYS A 10 -19.392 -6.811 13.632 1.00 51.32 H new ATOM 136 N THR A 11 -20.505 -1.167 11.575 1.00 60.42 N ATOM 137 CA THR A 11 -21.086 -1.034 10.246 1.00 43.25 C ATOM 138 C THR A 11 -21.641 -2.365 9.752 1.00 13.22 C ATOM 139 O THR A 11 -22.845 -2.506 9.541 1.00 74.14 O ATOM 140 CB THR A 11 -20.051 -0.513 9.230 1.00 22.40 C ATOM 141 OG1 THR A 11 -19.078 0.301 9.895 1.00 23.24 O ATOM 142 CG2 THR A 11 -20.729 0.293 8.132 1.00 71.01 C ATOM 0 H THR A 11 -19.485 -1.154 11.592 1.00 60.42 H new ATOM 0 HA THR A 11 -21.899 -0.313 10.328 1.00 43.25 H new ATOM 0 HB THR A 11 -19.556 -1.372 8.776 1.00 22.40 H new ATOM 0 HG1 THR A 11 -18.558 -0.252 10.515 1.00 23.24 H new ATOM 0 HG21 THR A 11 -19.979 0.650 7.427 1.00 71.01 H new ATOM 0 HG22 THR A 11 -21.448 -0.338 7.609 1.00 71.01 H new ATOM 0 HG23 THR A 11 -21.247 1.145 8.573 1.00 71.01 H new ATOM 150 N SER A 12 -20.754 -3.339 9.570 1.00 43.13 N ATOM 151 CA SER A 12 -21.155 -4.659 9.097 1.00 62.23 C ATOM 152 C SER A 12 -19.948 -5.584 8.983 1.00 2.13 C ATOM 153 O SER A 12 -18.866 -5.164 8.574 1.00 42.15 O ATOM 154 CB SER A 12 -21.858 -4.547 7.743 1.00 74.03 C ATOM 155 OG SER A 12 -21.237 -3.571 6.925 1.00 33.02 O ATOM 0 H SER A 12 -19.754 -3.239 9.743 1.00 43.13 H new ATOM 0 HA SER A 12 -21.848 -5.084 9.823 1.00 62.23 H new ATOM 0 HB2 SER A 12 -21.840 -5.513 7.239 1.00 74.03 H new ATOM 0 HB3 SER A 12 -22.906 -4.286 7.894 1.00 74.03 H new ATOM 0 HG SER A 12 -21.704 -3.520 6.065 1.00 33.02 H new ATOM 161 N ASP A 13 -20.143 -6.847 9.347 1.00 22.41 N ATOM 162 CA ASP A 13 -19.071 -7.835 9.285 1.00 63.20 C ATOM 163 C ASP A 13 -19.460 -9.002 8.382 1.00 43.24 C ATOM 164 O ASP A 13 -20.509 -9.619 8.567 1.00 5.33 O ATOM 165 CB ASP A 13 -18.739 -8.347 10.687 1.00 22.23 C ATOM 166 CG ASP A 13 -19.976 -8.540 11.542 1.00 42.33 C ATOM 167 OD1 ASP A 13 -20.556 -7.525 11.984 1.00 14.21 O ATOM 168 OD2 ASP A 13 -20.366 -9.704 11.767 1.00 50.32 O ATOM 0 H ASP A 13 -21.033 -7.211 9.688 1.00 22.41 H new ATOM 0 HA ASP A 13 -18.189 -7.352 8.865 1.00 63.20 H new ATOM 0 HB2 ASP A 13 -18.205 -9.294 10.608 1.00 22.23 H new ATOM 0 HB3 ASP A 13 -18.068 -7.642 11.178 1.00 22.23 H new ATOM 173 N TRP A 14 -18.608 -9.298 7.408 1.00 45.41 N ATOM 174 CA TRP A 14 -18.863 -10.390 6.476 1.00 3.23 C ATOM 175 C TRP A 14 -17.861 -11.522 6.676 1.00 50.53 C ATOM 176 O TRP A 14 -16.692 -11.399 6.314 1.00 55.40 O ATOM 177 CB TRP A 14 -18.798 -9.883 5.034 1.00 11.33 C ATOM 178 CG TRP A 14 -17.563 -9.086 4.740 1.00 30.04 C ATOM 179 CD1 TRP A 14 -16.449 -9.515 4.076 1.00 53.22 C ATOM 180 CD2 TRP A 14 -17.316 -7.722 5.101 1.00 22.34 C ATOM 181 NE1 TRP A 14 -15.525 -8.501 4.004 1.00 12.42 N ATOM 182 CE2 TRP A 14 -16.034 -7.390 4.623 1.00 60.22 C ATOM 183 CE3 TRP A 14 -18.056 -6.750 5.779 1.00 12.34 C ATOM 184 CZ2 TRP A 14 -15.477 -6.127 4.805 1.00 72.12 C ATOM 185 CZ3 TRP A 14 -17.502 -5.497 5.958 1.00 50.34 C ATOM 186 CH2 TRP A 14 -16.222 -5.195 5.473 1.00 43.22 C ATOM 0 H TRP A 14 -17.735 -8.797 7.243 1.00 45.41 H new ATOM 0 HA TRP A 14 -19.863 -10.776 6.673 1.00 3.23 H new ATOM 0 HB2 TRP A 14 -18.843 -10.734 4.355 1.00 11.33 H new ATOM 0 HB3 TRP A 14 -19.675 -9.268 4.833 1.00 11.33 H new ATOM 0 HD1 TRP A 14 -16.314 -10.506 3.668 1.00 53.22 H new ATOM 0 HE1 TRP A 14 -14.608 -8.565 3.561 1.00 12.42 H new ATOM 0 HE3 TRP A 14 -19.043 -6.974 6.156 1.00 12.34 H new ATOM 0 HZ2 TRP A 14 -14.491 -5.892 4.432 1.00 72.12 H new ATOM 0 HZ3 TRP A 14 -18.065 -4.737 6.480 1.00 50.34 H new ATOM 0 HH2 TRP A 14 -15.816 -4.207 5.630 1.00 43.22 H new ATOM 197 N GLY A 15 -18.327 -12.624 7.255 1.00 2.41 N ATOM 198 CA GLY A 15 -17.458 -13.761 7.493 1.00 31.00 C ATOM 199 C GLY A 15 -16.481 -13.517 8.626 1.00 23.20 C ATOM 200 O GLY A 15 -16.789 -13.780 9.789 1.00 72.53 O ATOM 0 H GLY A 15 -19.291 -12.750 7.564 1.00 2.41 H new ATOM 0 HA2 GLY A 15 -18.065 -14.636 7.723 1.00 31.00 H new ATOM 0 HA3 GLY A 15 -16.904 -13.988 6.582 1.00 31.00 H new ATOM 204 N THR A 16 -15.299 -13.014 8.287 1.00 52.24 N ATOM 205 CA THR A 16 -14.272 -12.737 9.284 1.00 61.33 C ATOM 206 C THR A 16 -13.939 -11.250 9.333 1.00 63.21 C ATOM 207 O THR A 16 -13.353 -10.767 10.300 1.00 14.31 O ATOM 208 CB THR A 16 -12.983 -13.531 8.999 1.00 32.32 C ATOM 209 OG1 THR A 16 -11.980 -13.200 9.967 1.00 32.24 O ATOM 210 CG2 THR A 16 -12.463 -13.234 7.601 1.00 25.02 C ATOM 0 H THR A 16 -15.029 -12.790 7.329 1.00 52.24 H new ATOM 0 HA THR A 16 -14.676 -13.048 10.248 1.00 61.33 H new ATOM 0 HB THR A 16 -13.215 -14.594 9.065 1.00 32.32 H new ATOM 0 HG1 THR A 16 -12.230 -12.371 10.426 1.00 32.24 H new ATOM 0 HG21 THR A 16 -11.552 -13.806 7.422 1.00 25.02 H new ATOM 0 HG22 THR A 16 -13.217 -13.513 6.865 1.00 25.02 H new ATOM 0 HG23 THR A 16 -12.246 -12.169 7.512 1.00 25.02 H new ATOM 218 N GLY A 17 -14.320 -10.529 8.283 1.00 31.12 N ATOM 219 CA GLY A 17 -14.054 -9.103 8.227 1.00 20.44 C ATOM 220 C GLY A 17 -15.138 -8.284 8.899 1.00 34.03 C ATOM 221 O GLY A 17 -16.310 -8.661 8.885 1.00 2.25 O ATOM 0 H GLY A 17 -14.808 -10.906 7.471 1.00 31.12 H new ATOM 0 HA2 GLY A 17 -13.097 -8.896 8.706 1.00 20.44 H new ATOM 0 HA3 GLY A 17 -13.963 -8.794 7.186 1.00 20.44 H new ATOM 225 N PHE A 18 -14.747 -7.160 9.491 1.00 2.52 N ATOM 226 CA PHE A 18 -15.694 -6.286 10.173 1.00 11.12 C ATOM 227 C PHE A 18 -15.555 -4.847 9.687 1.00 34.14 C ATOM 228 O PHE A 18 -14.497 -4.442 9.207 1.00 40.12 O ATOM 229 CB PHE A 18 -15.477 -6.349 11.686 1.00 63.24 C ATOM 230 CG PHE A 18 -14.362 -5.465 12.169 1.00 21.03 C ATOM 231 CD1 PHE A 18 -13.064 -5.944 12.239 1.00 52.41 C ATOM 232 CD2 PHE A 18 -14.613 -4.158 12.552 1.00 54.32 C ATOM 233 CE1 PHE A 18 -12.035 -5.133 12.683 1.00 2.14 C ATOM 234 CE2 PHE A 18 -13.588 -3.343 12.996 1.00 61.11 C ATOM 235 CZ PHE A 18 -12.298 -3.831 13.062 1.00 42.41 C ATOM 0 H PHE A 18 -13.781 -6.833 9.512 1.00 2.52 H new ATOM 0 HA PHE A 18 -16.701 -6.632 9.942 1.00 11.12 H new ATOM 0 HB2 PHE A 18 -16.401 -6.063 12.190 1.00 63.24 H new ATOM 0 HB3 PHE A 18 -15.263 -7.379 11.972 1.00 63.24 H new ATOM 0 HD1 PHE A 18 -12.853 -6.961 11.944 1.00 52.41 H new ATOM 0 HD2 PHE A 18 -15.620 -3.771 12.503 1.00 54.32 H new ATOM 0 HE1 PHE A 18 -11.027 -5.517 12.733 1.00 2.14 H new ATOM 0 HE2 PHE A 18 -13.796 -2.325 13.291 1.00 61.11 H new ATOM 0 HZ PHE A 18 -11.496 -3.196 13.409 1.00 42.41 H new ATOM 245 N GLY A 19 -16.632 -4.079 9.813 1.00 24.52 N ATOM 246 CA GLY A 19 -16.611 -2.694 9.381 1.00 24.10 C ATOM 247 C GLY A 19 -16.714 -1.723 10.540 1.00 52.04 C ATOM 248 O GLY A 19 -17.778 -1.570 11.138 1.00 71.35 O ATOM 0 H GLY A 19 -17.520 -4.391 10.207 1.00 24.52 H new ATOM 0 HA2 GLY A 19 -15.690 -2.502 8.831 1.00 24.10 H new ATOM 0 HA3 GLY A 19 -17.436 -2.520 8.691 1.00 24.10 H new ATOM 252 N GLY A 20 -15.603 -1.067 10.861 1.00 51.44 N ATOM 253 CA GLY A 20 -15.594 -0.115 11.958 1.00 11.23 C ATOM 254 C GLY A 20 -16.290 1.184 11.603 1.00 60.33 C ATOM 255 O GLY A 20 -15.855 1.904 10.705 1.00 44.34 O ATOM 0 H GLY A 20 -14.709 -1.177 10.382 1.00 51.44 H new ATOM 0 HA2 GLY A 20 -16.082 -0.560 12.825 1.00 11.23 H new ATOM 0 HA3 GLY A 20 -14.564 0.095 12.245 1.00 11.23 H new ATOM 259 N SER A 21 -17.375 1.483 12.311 1.00 53.50 N ATOM 260 CA SER A 21 -18.137 2.702 12.063 1.00 54.50 C ATOM 261 C SER A 21 -17.910 3.720 13.176 1.00 61.41 C ATOM 262 O SER A 21 -18.562 3.672 14.219 1.00 31.23 O ATOM 263 CB SER A 21 -19.628 2.382 11.946 1.00 3.32 C ATOM 264 OG SER A 21 -20.419 3.458 12.418 1.00 60.41 O ATOM 0 H SER A 21 -17.746 0.899 13.060 1.00 53.50 H new ATOM 0 HA SER A 21 -17.790 3.133 11.124 1.00 54.50 H new ATOM 0 HB2 SER A 21 -19.878 2.172 10.906 1.00 3.32 H new ATOM 0 HB3 SER A 21 -19.856 1.482 12.516 1.00 3.32 H new ATOM 0 HG SER A 21 -21.368 3.229 12.331 1.00 60.41 H new ATOM 270 N TRP A 22 -16.981 4.642 12.946 1.00 70.31 N ATOM 271 CA TRP A 22 -16.668 5.672 13.929 1.00 72.33 C ATOM 272 C TRP A 22 -17.447 6.951 13.644 1.00 61.21 C ATOM 273 O TRP A 22 -17.327 7.537 12.568 1.00 61.04 O ATOM 274 CB TRP A 22 -15.166 5.965 13.930 1.00 33.24 C ATOM 275 CG TRP A 22 -14.340 4.830 14.456 1.00 24.13 C ATOM 276 CD1 TRP A 22 -13.595 3.951 13.723 1.00 25.21 C ATOM 277 CD2 TRP A 22 -14.178 4.451 15.827 1.00 1.34 C ATOM 278 NE1 TRP A 22 -12.979 3.049 14.556 1.00 34.14 N ATOM 279 CE2 TRP A 22 -13.319 3.334 15.852 1.00 43.02 C ATOM 280 CE3 TRP A 22 -14.671 4.948 17.036 1.00 65.31 C ATOM 281 CZ2 TRP A 22 -12.948 2.708 17.038 1.00 14.12 C ATOM 282 CZ3 TRP A 22 -14.302 4.325 18.213 1.00 11.22 C ATOM 283 CH2 TRP A 22 -13.446 3.216 18.207 1.00 20.34 C ATOM 0 H TRP A 22 -16.432 4.697 12.088 1.00 70.31 H new ATOM 0 HA TRP A 22 -16.960 5.302 14.912 1.00 72.33 H new ATOM 0 HB2 TRP A 22 -14.847 6.196 12.914 1.00 33.24 H new ATOM 0 HB3 TRP A 22 -14.977 6.853 14.533 1.00 33.24 H new ATOM 0 HD1 TRP A 22 -13.504 3.963 12.647 1.00 25.21 H new ATOM 0 HE1 TRP A 22 -12.367 2.289 14.258 1.00 34.14 H new ATOM 0 HE3 TRP A 22 -15.329 5.804 17.051 1.00 65.31 H new ATOM 0 HZ2 TRP A 22 -12.290 1.851 17.036 1.00 14.12 H new ATOM 0 HZ3 TRP A 22 -14.680 4.699 19.153 1.00 11.22 H new ATOM 0 HH2 TRP A 22 -13.174 2.753 19.144 1.00 20.34 H new ATOM 294 N THR A 23 -18.247 7.381 14.615 1.00 74.34 N ATOM 295 CA THR A 23 -19.046 8.591 14.469 1.00 74.22 C ATOM 296 C THR A 23 -18.394 9.771 15.180 1.00 14.21 C ATOM 297 O THR A 23 -18.252 9.771 16.403 1.00 64.12 O ATOM 298 CB THR A 23 -20.469 8.394 15.024 1.00 71.02 C ATOM 299 OG1 THR A 23 -21.028 7.175 14.521 1.00 54.32 O ATOM 300 CG2 THR A 23 -21.365 9.563 14.644 1.00 72.13 C ATOM 0 H THR A 23 -18.359 6.908 15.512 1.00 74.34 H new ATOM 0 HA THR A 23 -19.106 8.803 13.401 1.00 74.22 H new ATOM 0 HB THR A 23 -20.406 8.343 16.111 1.00 71.02 H new ATOM 0 HG1 THR A 23 -21.932 7.057 14.880 1.00 54.32 H new ATOM 0 HG21 THR A 23 -22.365 9.401 15.047 1.00 72.13 H new ATOM 0 HG22 THR A 23 -20.953 10.485 15.054 1.00 72.13 H new ATOM 0 HG23 THR A 23 -21.420 9.641 13.558 1.00 72.13 H new ATOM 308 N VAL A 24 -17.998 10.776 14.406 1.00 71.45 N ATOM 309 CA VAL A 24 -17.362 11.964 14.963 1.00 44.41 C ATOM 310 C VAL A 24 -18.184 13.215 14.671 1.00 64.12 C ATOM 311 O VAL A 24 -18.619 13.437 13.541 1.00 22.22 O ATOM 312 CB VAL A 24 -15.941 12.156 14.401 1.00 1.24 C ATOM 313 CG1 VAL A 24 -15.209 13.252 15.160 1.00 72.14 C ATOM 314 CG2 VAL A 24 -15.165 10.848 14.458 1.00 24.15 C ATOM 0 H VAL A 24 -18.106 10.791 13.392 1.00 71.45 H new ATOM 0 HA VAL A 24 -17.302 11.814 16.041 1.00 44.41 H new ATOM 0 HB VAL A 24 -16.020 12.461 13.358 1.00 1.24 H new ATOM 0 HG11 VAL A 24 -14.207 13.373 14.748 1.00 72.14 H new ATOM 0 HG12 VAL A 24 -15.756 14.190 15.063 1.00 72.14 H new ATOM 0 HG13 VAL A 24 -15.138 12.980 16.213 1.00 72.14 H new ATOM 0 HG21 VAL A 24 -14.163 11.002 14.057 1.00 24.15 H new ATOM 0 HG22 VAL A 24 -15.094 10.512 15.492 1.00 24.15 H new ATOM 0 HG23 VAL A 24 -15.681 10.093 13.865 1.00 24.15 H new ATOM 324 N LYS A 25 -18.393 14.031 15.698 1.00 74.25 N ATOM 325 CA LYS A 25 -19.161 15.262 15.555 1.00 63.20 C ATOM 326 C LYS A 25 -18.559 16.382 16.398 1.00 14.44 C ATOM 327 O LYS A 25 -18.092 16.151 17.511 1.00 32.41 O ATOM 328 CB LYS A 25 -20.618 15.030 15.964 1.00 71.32 C ATOM 329 CG LYS A 25 -21.615 15.318 14.855 1.00 73.24 C ATOM 330 CD LYS A 25 -23.015 15.529 15.406 1.00 33.23 C ATOM 331 CE LYS A 25 -23.761 14.210 15.553 1.00 50.34 C ATOM 332 NZ LYS A 25 -23.730 13.710 16.955 1.00 71.31 N ATOM 0 H LYS A 25 -18.041 13.862 16.640 1.00 74.25 H new ATOM 0 HA LYS A 25 -19.126 15.561 14.507 1.00 63.20 H new ATOM 0 HB2 LYS A 25 -20.735 13.996 16.287 1.00 71.32 H new ATOM 0 HB3 LYS A 25 -20.850 15.660 16.822 1.00 71.32 H new ATOM 0 HG2 LYS A 25 -21.302 16.205 14.304 1.00 73.24 H new ATOM 0 HG3 LYS A 25 -21.623 14.489 14.147 1.00 73.24 H new ATOM 0 HD2 LYS A 25 -22.955 16.024 16.375 1.00 33.23 H new ATOM 0 HD3 LYS A 25 -23.572 16.191 14.743 1.00 33.23 H new ATOM 0 HE2 LYS A 25 -24.796 14.341 15.237 1.00 50.34 H new ATOM 0 HE3 LYS A 25 -23.317 13.466 14.892 1.00 50.34 H new ATOM 0 HZ1 LYS A 25 -24.248 12.810 17.014 1.00 71.31 H new ATOM 0 HZ2 LYS A 25 -22.744 13.561 17.249 1.00 71.31 H new ATOM 0 HZ3 LYS A 25 -24.176 14.409 17.583 1.00 71.31 H new ATOM 346 N ASN A 26 -18.573 17.596 15.857 1.00 13.22 N ATOM 347 CA ASN A 26 -18.028 18.753 16.560 1.00 34.33 C ATOM 348 C ASN A 26 -19.107 19.807 16.791 1.00 35.35 C ATOM 349 O ASN A 26 -19.902 20.104 15.899 1.00 51.44 O ATOM 350 CB ASN A 26 -16.869 19.358 15.766 1.00 51.30 C ATOM 351 CG ASN A 26 -15.774 18.349 15.481 1.00 31.51 C ATOM 352 OD1 ASN A 26 -14.764 18.295 16.183 1.00 65.43 O ATOM 353 ND2 ASN A 26 -15.969 17.540 14.445 1.00 45.33 N ATOM 0 H ASN A 26 -18.955 17.805 14.935 1.00 13.22 H new ATOM 0 HA ASN A 26 -17.659 18.418 17.530 1.00 34.33 H new ATOM 0 HB2 ASN A 26 -17.246 19.756 14.824 1.00 51.30 H new ATOM 0 HB3 ASN A 26 -16.450 20.197 16.322 1.00 51.30 H new ATOM 0 HD21 ASN A 26 -15.267 16.840 14.205 1.00 45.33 H new ATOM 0 HD22 ASN A 26 -16.821 17.619 13.890 1.00 45.33 H new ATOM 360 N THR A 27 -19.127 20.369 17.995 1.00 24.54 N ATOM 361 CA THR A 27 -20.108 21.389 18.345 1.00 42.54 C ATOM 362 C THR A 27 -19.755 22.060 19.667 1.00 44.44 C ATOM 363 O THR A 27 -18.981 21.526 20.459 1.00 22.41 O ATOM 364 CB THR A 27 -21.526 20.795 18.447 1.00 42.32 C ATOM 365 OG1 THR A 27 -21.469 19.369 18.327 1.00 71.02 O ATOM 366 CG2 THR A 27 -22.430 21.364 17.364 1.00 62.42 C ATOM 0 H THR A 27 -18.475 20.135 18.744 1.00 24.54 H new ATOM 0 HA THR A 27 -20.090 22.131 17.547 1.00 42.54 H new ATOM 0 HB THR A 27 -21.939 21.061 19.420 1.00 42.32 H new ATOM 0 HG1 THR A 27 -22.374 18.999 18.394 1.00 71.02 H new ATOM 0 HG21 THR A 27 -23.426 20.930 17.456 1.00 62.42 H new ATOM 0 HG22 THR A 27 -22.494 22.446 17.475 1.00 62.42 H new ATOM 0 HG23 THR A 27 -22.019 21.124 16.384 1.00 62.42 H new ATOM 374 N GLY A 28 -20.327 23.238 19.899 1.00 44.41 N ATOM 375 CA GLY A 28 -20.061 23.964 21.127 1.00 55.14 C ATOM 376 C GLY A 28 -19.171 25.172 20.905 1.00 20.52 C ATOM 377 O GLY A 28 -19.633 26.218 20.448 1.00 73.11 O ATOM 0 H GLY A 28 -20.970 23.702 19.258 1.00 44.41 H new ATOM 0 HA2 GLY A 28 -21.005 24.288 21.566 1.00 55.14 H new ATOM 0 HA3 GLY A 28 -19.588 23.295 21.846 1.00 55.14 H new ATOM 381 N THR A 29 -17.890 25.029 21.232 1.00 21.41 N ATOM 382 CA THR A 29 -16.935 26.117 21.070 1.00 2.42 C ATOM 383 C THR A 29 -16.802 26.517 19.604 1.00 72.24 C ATOM 384 O THR A 29 -17.418 25.913 18.726 1.00 54.40 O ATOM 385 CB THR A 29 -15.546 25.731 21.613 1.00 20.24 C ATOM 386 OG1 THR A 29 -15.585 24.408 22.161 1.00 12.43 O ATOM 387 CG2 THR A 29 -15.089 26.714 22.680 1.00 43.51 C ATOM 0 H THR A 29 -17.491 24.170 21.611 1.00 21.41 H new ATOM 0 HA THR A 29 -17.318 26.962 21.642 1.00 2.42 H new ATOM 0 HB THR A 29 -14.836 25.761 20.787 1.00 20.24 H new ATOM 0 HG1 THR A 29 -15.658 23.755 21.434 1.00 12.43 H new ATOM 0 HG21 THR A 29 -14.106 26.420 23.048 1.00 43.51 H new ATOM 0 HG22 THR A 29 -15.032 27.715 22.252 1.00 43.51 H new ATOM 0 HG23 THR A 29 -15.801 26.712 23.505 1.00 43.51 H new ATOM 395 N THR A 30 -15.993 27.540 19.347 1.00 51.32 N ATOM 396 CA THR A 30 -15.779 28.022 17.988 1.00 11.23 C ATOM 397 C THR A 30 -15.232 26.916 17.093 1.00 11.53 C ATOM 398 O THR A 30 -15.097 25.769 17.518 1.00 61.30 O ATOM 399 CB THR A 30 -14.807 29.217 17.961 1.00 60.12 C ATOM 400 OG1 THR A 30 -13.531 28.821 18.477 1.00 41.34 O ATOM 401 CG2 THR A 30 -15.353 30.377 18.780 1.00 24.32 C ATOM 0 H THR A 30 -15.475 28.051 20.062 1.00 51.32 H new ATOM 0 HA THR A 30 -16.749 28.345 17.611 1.00 11.23 H new ATOM 0 HB THR A 30 -14.695 29.544 16.927 1.00 60.12 H new ATOM 0 HG1 THR A 30 -12.918 29.585 18.455 1.00 41.34 H new ATOM 0 HG21 THR A 30 -14.650 31.209 18.746 1.00 24.32 H new ATOM 0 HG22 THR A 30 -16.311 30.694 18.368 1.00 24.32 H new ATOM 0 HG23 THR A 30 -15.490 30.060 19.814 1.00 24.32 H new ATOM 409 N SER A 31 -14.917 27.269 15.850 1.00 21.15 N ATOM 410 CA SER A 31 -14.386 26.304 14.893 1.00 41.42 C ATOM 411 C SER A 31 -13.193 25.557 15.480 1.00 64.03 C ATOM 412 O SER A 31 -12.410 26.118 16.248 1.00 53.23 O ATOM 413 CB SER A 31 -13.974 27.012 13.601 1.00 1.35 C ATOM 414 OG SER A 31 -13.683 28.378 13.837 1.00 2.30 O ATOM 0 H SER A 31 -15.020 28.215 15.482 1.00 21.15 H new ATOM 0 HA SER A 31 -15.170 25.581 14.669 1.00 41.42 H new ATOM 0 HB2 SER A 31 -13.100 26.519 13.176 1.00 1.35 H new ATOM 0 HB3 SER A 31 -14.775 26.930 12.866 1.00 1.35 H new ATOM 0 HG SER A 31 -13.421 28.807 12.996 1.00 2.30 H new ATOM 420 N LEU A 32 -13.060 24.287 15.114 1.00 1.22 N ATOM 421 CA LEU A 32 -11.963 23.461 15.604 1.00 13.35 C ATOM 422 C LEU A 32 -10.729 23.616 14.721 1.00 54.53 C ATOM 423 O LEU A 32 -10.718 24.417 13.787 1.00 24.04 O ATOM 424 CB LEU A 32 -12.386 21.991 15.652 1.00 45.43 C ATOM 425 CG LEU A 32 -12.962 21.416 14.357 1.00 44.34 C ATOM 426 CD1 LEU A 32 -12.319 20.076 14.036 1.00 24.10 C ATOM 427 CD2 LEU A 32 -14.474 21.273 14.463 1.00 41.22 C ATOM 0 H LEU A 32 -13.698 23.807 14.480 1.00 1.22 H new ATOM 0 HA LEU A 32 -11.713 23.794 16.611 1.00 13.35 H new ATOM 0 HB2 LEU A 32 -11.520 21.394 15.938 1.00 45.43 H new ATOM 0 HB3 LEU A 32 -13.129 21.873 16.441 1.00 45.43 H new ATOM 0 HG LEU A 32 -12.739 22.107 13.544 1.00 44.34 H new ATOM 0 HD11 LEU A 32 -12.741 19.682 13.111 1.00 24.10 H new ATOM 0 HD12 LEU A 32 -11.244 20.208 13.917 1.00 24.10 H new ATOM 0 HD13 LEU A 32 -12.511 19.376 14.849 1.00 24.10 H new ATOM 0 HD21 LEU A 32 -14.867 20.863 13.533 1.00 41.22 H new ATOM 0 HD22 LEU A 32 -14.719 20.603 15.287 1.00 41.22 H new ATOM 0 HD23 LEU A 32 -14.920 22.251 14.645 1.00 41.22 H new ATOM 439 N SER A 33 -9.690 22.845 15.024 1.00 35.03 N ATOM 440 CA SER A 33 -8.449 22.898 14.259 1.00 71.14 C ATOM 441 C SER A 33 -8.287 21.649 13.399 1.00 45.10 C ATOM 442 O SER A 33 -7.663 21.689 12.338 1.00 31.43 O ATOM 443 CB SER A 33 -7.251 23.041 15.201 1.00 2.03 C ATOM 444 OG SER A 33 -6.612 21.793 15.405 1.00 74.34 O ATOM 0 H SER A 33 -9.682 22.176 15.794 1.00 35.03 H new ATOM 0 HA SER A 33 -8.493 23.767 13.602 1.00 71.14 H new ATOM 0 HB2 SER A 33 -6.539 23.754 14.784 1.00 2.03 H new ATOM 0 HB3 SER A 33 -7.583 23.444 16.158 1.00 2.03 H new ATOM 0 HG SER A 33 -5.849 21.911 16.009 1.00 74.34 H new ATOM 450 N SER A 34 -8.854 20.540 13.863 1.00 13.33 N ATOM 451 CA SER A 34 -8.770 19.277 13.138 1.00 60.55 C ATOM 452 C SER A 34 -9.478 18.164 13.903 1.00 61.33 C ATOM 453 O SER A 34 -9.752 18.293 15.097 1.00 25.21 O ATOM 454 CB SER A 34 -7.308 18.897 12.901 1.00 50.53 C ATOM 455 OG SER A 34 -6.465 19.467 13.889 1.00 3.34 O ATOM 0 H SER A 34 -9.377 20.490 14.738 1.00 13.33 H new ATOM 0 HA SER A 34 -9.265 19.405 12.176 1.00 60.55 H new ATOM 0 HB2 SER A 34 -7.205 17.812 12.913 1.00 50.53 H new ATOM 0 HB3 SER A 34 -6.996 19.236 11.913 1.00 50.53 H new ATOM 0 HG SER A 34 -5.536 19.208 13.715 1.00 3.34 H new ATOM 461 N TRP A 35 -9.771 17.071 13.209 1.00 2.22 N ATOM 462 CA TRP A 35 -10.448 15.934 13.823 1.00 13.43 C ATOM 463 C TRP A 35 -9.713 14.633 13.516 1.00 1.14 C ATOM 464 O TRP A 35 -9.415 14.335 12.359 1.00 33.55 O ATOM 465 CB TRP A 35 -11.893 15.847 13.328 1.00 35.32 C ATOM 466 CG TRP A 35 -12.003 15.511 11.871 1.00 71.25 C ATOM 467 CD1 TRP A 35 -12.064 16.392 10.830 1.00 2.12 C ATOM 468 CD2 TRP A 35 -12.068 14.202 11.296 1.00 72.31 C ATOM 469 NE1 TRP A 35 -12.163 15.710 9.642 1.00 11.12 N ATOM 470 CE2 TRP A 35 -12.167 14.365 9.900 1.00 75.43 C ATOM 471 CE3 TRP A 35 -12.051 12.908 11.823 1.00 54.12 C ATOM 472 CZ2 TRP A 35 -12.248 13.282 9.029 1.00 14.52 C ATOM 473 CZ3 TRP A 35 -12.132 11.834 10.957 1.00 54.10 C ATOM 474 CH2 TRP A 35 -12.228 12.026 9.573 1.00 4.12 C ATOM 0 H TRP A 35 -9.551 16.947 12.221 1.00 2.22 H new ATOM 0 HA TRP A 35 -10.450 16.083 14.903 1.00 13.43 H new ATOM 0 HB2 TRP A 35 -12.423 15.092 13.909 1.00 35.32 H new ATOM 0 HB3 TRP A 35 -12.391 16.799 13.513 1.00 35.32 H new ATOM 0 HD1 TRP A 35 -12.038 17.467 10.926 1.00 2.12 H new ATOM 0 HE1 TRP A 35 -12.224 16.136 8.717 1.00 11.12 H new ATOM 0 HE3 TRP A 35 -11.976 12.750 12.889 1.00 54.12 H new ATOM 0 HZ2 TRP A 35 -12.324 13.428 7.962 1.00 14.52 H new ATOM 0 HZ3 TRP A 35 -12.121 10.830 11.354 1.00 54.10 H new ATOM 0 HH2 TRP A 35 -12.287 11.166 8.922 1.00 4.12 H new ATOM 485 N THR A 36 -9.424 13.861 14.559 1.00 62.41 N ATOM 486 CA THR A 36 -8.724 12.593 14.401 1.00 30.01 C ATOM 487 C THR A 36 -9.083 11.623 15.520 1.00 73.15 C ATOM 488 O THR A 36 -8.950 11.946 16.701 1.00 71.25 O ATOM 489 CB THR A 36 -7.197 12.794 14.380 1.00 33.25 C ATOM 490 OG1 THR A 36 -6.842 13.750 13.375 1.00 60.42 O ATOM 491 CG2 THR A 36 -6.483 11.478 14.109 1.00 74.10 C ATOM 0 H THR A 36 -9.664 14.092 15.523 1.00 62.41 H new ATOM 0 HA THR A 36 -9.041 12.174 13.446 1.00 30.01 H new ATOM 0 HB THR A 36 -6.888 13.164 15.358 1.00 33.25 H new ATOM 0 HG1 THR A 36 -5.870 13.873 13.369 1.00 60.42 H new ATOM 0 HG21 THR A 36 -5.406 11.644 14.099 1.00 74.10 H new ATOM 0 HG22 THR A 36 -6.732 10.761 14.891 1.00 74.10 H new ATOM 0 HG23 THR A 36 -6.799 11.085 13.143 1.00 74.10 H new ATOM 499 N VAL A 37 -9.538 10.433 15.144 1.00 12.14 N ATOM 500 CA VAL A 37 -9.914 9.415 16.118 1.00 13.25 C ATOM 501 C VAL A 37 -8.888 8.287 16.158 1.00 73.25 C ATOM 502 O VAL A 37 -8.725 7.547 15.189 1.00 24.21 O ATOM 503 CB VAL A 37 -11.299 8.820 15.801 1.00 61.43 C ATOM 504 CG1 VAL A 37 -11.762 7.915 16.932 1.00 23.34 C ATOM 505 CG2 VAL A 37 -12.309 9.930 15.549 1.00 30.13 C ATOM 0 H VAL A 37 -9.655 10.149 14.171 1.00 12.14 H new ATOM 0 HA VAL A 37 -9.950 9.906 17.091 1.00 13.25 H new ATOM 0 HB VAL A 37 -11.219 8.219 14.895 1.00 61.43 H new ATOM 0 HG11 VAL A 37 -12.742 7.504 16.691 1.00 23.34 H new ATOM 0 HG12 VAL A 37 -11.049 7.101 17.062 1.00 23.34 H new ATOM 0 HG13 VAL A 37 -11.827 8.491 17.855 1.00 23.34 H new ATOM 0 HG21 VAL A 37 -13.282 9.493 15.326 1.00 30.13 H new ATOM 0 HG22 VAL A 37 -12.388 10.558 16.436 1.00 30.13 H new ATOM 0 HG23 VAL A 37 -11.981 10.535 14.704 1.00 30.13 H new ATOM 515 N GLU A 38 -8.197 8.165 17.288 1.00 13.33 N ATOM 516 CA GLU A 38 -7.184 7.127 17.454 1.00 5.00 C ATOM 517 C GLU A 38 -7.526 6.219 18.631 1.00 64.43 C ATOM 518 O GLU A 38 -8.186 6.639 19.582 1.00 35.43 O ATOM 519 CB GLU A 38 -5.807 7.757 17.665 1.00 54.33 C ATOM 520 CG GLU A 38 -5.764 8.760 18.807 1.00 15.33 C ATOM 521 CD GLU A 38 -6.298 10.121 18.408 1.00 40.40 C ATOM 522 OE1 GLU A 38 -6.447 10.367 17.192 1.00 54.44 O ATOM 523 OE2 GLU A 38 -6.566 10.942 19.311 1.00 2.34 O ATOM 0 H GLU A 38 -8.319 8.770 18.100 1.00 13.33 H new ATOM 0 HA GLU A 38 -7.164 6.525 16.546 1.00 5.00 H new ATOM 0 HB2 GLU A 38 -5.081 6.967 17.859 1.00 54.33 H new ATOM 0 HB3 GLU A 38 -5.499 8.254 16.745 1.00 54.33 H new ATOM 0 HG2 GLU A 38 -6.347 8.377 19.645 1.00 15.33 H new ATOM 0 HG3 GLU A 38 -4.736 8.865 19.155 1.00 15.33 H new ATOM 530 N TRP A 39 -7.074 4.972 18.560 1.00 52.34 N ATOM 531 CA TRP A 39 -7.331 4.003 19.619 1.00 60.34 C ATOM 532 C TRP A 39 -6.254 2.925 19.643 1.00 74.54 C ATOM 533 O TRP A 39 -5.461 2.805 18.710 1.00 54.32 O ATOM 534 CB TRP A 39 -8.707 3.363 19.429 1.00 52.13 C ATOM 535 CG TRP A 39 -9.412 3.828 18.191 1.00 62.31 C ATOM 536 CD1 TRP A 39 -10.494 4.659 18.127 1.00 51.54 C ATOM 537 CD2 TRP A 39 -9.087 3.486 16.839 1.00 62.35 C ATOM 538 NE1 TRP A 39 -10.860 4.856 16.817 1.00 71.42 N ATOM 539 CE2 TRP A 39 -10.012 4.147 16.007 1.00 62.35 C ATOM 540 CE3 TRP A 39 -8.103 2.687 16.250 1.00 43.43 C ATOM 541 CZ2 TRP A 39 -9.981 4.031 14.621 1.00 3.11 C ATOM 542 CZ3 TRP A 39 -8.074 2.573 14.873 1.00 45.32 C ATOM 543 CH2 TRP A 39 -9.007 3.244 14.071 1.00 11.14 C ATOM 0 H TRP A 39 -6.527 4.608 17.780 1.00 52.34 H new ATOM 0 HA TRP A 39 -7.312 4.530 20.573 1.00 60.34 H new ATOM 0 HB2 TRP A 39 -8.594 2.280 19.389 1.00 52.13 H new ATOM 0 HB3 TRP A 39 -9.327 3.587 20.297 1.00 52.13 H new ATOM 0 HD1 TRP A 39 -10.989 5.097 18.981 1.00 51.54 H new ATOM 0 HE1 TRP A 39 -11.637 5.436 16.499 1.00 71.42 H new ATOM 0 HE3 TRP A 39 -7.378 2.168 16.860 1.00 43.43 H new ATOM 0 HZ2 TRP A 39 -10.701 4.544 14.001 1.00 3.11 H new ATOM 0 HZ3 TRP A 39 -7.320 1.956 14.407 1.00 45.32 H new ATOM 0 HH2 TRP A 39 -8.956 3.138 12.997 1.00 11.14 H new ATOM 554 N ASP A 40 -6.231 2.143 20.718 1.00 1.33 N ATOM 555 CA ASP A 40 -5.251 1.073 20.863 1.00 51.31 C ATOM 556 C ASP A 40 -5.851 -0.272 20.465 1.00 20.21 C ATOM 557 O ASP A 40 -6.933 -0.641 20.924 1.00 53.41 O ATOM 558 CB ASP A 40 -4.741 1.012 22.305 1.00 5.54 C ATOM 559 CG ASP A 40 -3.526 1.890 22.525 1.00 55.12 C ATOM 560 OD1 ASP A 40 -3.640 3.120 22.342 1.00 21.12 O ATOM 561 OD2 ASP A 40 -2.459 1.347 22.884 1.00 44.33 O ATOM 0 H ASP A 40 -6.879 2.230 21.501 1.00 1.33 H new ATOM 0 HA ASP A 40 -4.414 1.287 20.198 1.00 51.31 H new ATOM 0 HB2 ASP A 40 -5.537 1.321 22.982 1.00 5.54 H new ATOM 0 HB3 ASP A 40 -4.491 -0.019 22.556 1.00 5.54 H new ATOM 566 N PHE A 41 -5.142 -1.000 19.609 1.00 25.40 N ATOM 567 CA PHE A 41 -5.606 -2.304 19.148 1.00 5.32 C ATOM 568 C PHE A 41 -4.713 -3.419 19.681 1.00 54.21 C ATOM 569 O PHE A 41 -3.855 -3.951 18.977 1.00 15.45 O ATOM 570 CB PHE A 41 -5.637 -2.345 17.618 1.00 31.21 C ATOM 571 CG PHE A 41 -6.965 -1.959 17.034 1.00 4.01 C ATOM 572 CD1 PHE A 41 -8.139 -2.499 17.532 1.00 23.42 C ATOM 573 CD2 PHE A 41 -7.040 -1.055 15.987 1.00 13.32 C ATOM 574 CE1 PHE A 41 -9.364 -2.146 16.996 1.00 72.42 C ATOM 575 CE2 PHE A 41 -8.261 -0.698 15.447 1.00 53.43 C ATOM 576 CZ PHE A 41 -9.425 -1.245 15.952 1.00 50.45 C ATOM 0 H PHE A 41 -4.245 -0.710 19.221 1.00 25.40 H new ATOM 0 HA PHE A 41 -6.615 -2.459 19.529 1.00 5.32 H new ATOM 0 HB2 PHE A 41 -4.870 -1.675 17.229 1.00 31.21 H new ATOM 0 HB3 PHE A 41 -5.381 -3.351 17.284 1.00 31.21 H new ATOM 0 HD1 PHE A 41 -8.097 -3.204 18.349 1.00 23.42 H new ATOM 0 HD2 PHE A 41 -6.134 -0.624 15.588 1.00 13.32 H new ATOM 0 HE1 PHE A 41 -10.272 -2.575 17.394 1.00 72.42 H new ATOM 0 HE2 PHE A 41 -8.305 0.008 14.631 1.00 53.43 H new ATOM 0 HZ PHE A 41 -10.380 -0.968 15.531 1.00 50.45 H new ATOM 586 N PRO A 42 -4.918 -3.782 20.956 1.00 12.22 N ATOM 587 CA PRO A 42 -4.140 -4.837 21.613 1.00 21.13 C ATOM 588 C PRO A 42 -4.463 -6.223 21.063 1.00 42.02 C ATOM 589 O PRO A 42 -3.565 -6.990 20.713 1.00 43.44 O ATOM 590 CB PRO A 42 -4.567 -4.732 23.079 1.00 63.25 C ATOM 591 CG PRO A 42 -5.926 -4.121 23.035 1.00 74.42 C ATOM 592 CD PRO A 42 -5.924 -3.191 21.854 1.00 21.14 C ATOM 0 HA PRO A 42 -3.069 -4.711 21.456 1.00 21.13 H new ATOM 0 HB2 PRO A 42 -4.589 -5.712 23.556 1.00 63.25 H new ATOM 0 HB3 PRO A 42 -3.874 -4.115 23.650 1.00 63.25 H new ATOM 0 HG2 PRO A 42 -6.695 -4.886 22.928 1.00 74.42 H new ATOM 0 HG3 PRO A 42 -6.141 -3.581 23.957 1.00 74.42 H new ATOM 0 HD2 PRO A 42 -6.905 -3.140 21.381 1.00 21.14 H new ATOM 0 HD3 PRO A 42 -5.657 -2.175 22.143 1.00 21.14 H new ATOM 600 N THR A 43 -5.752 -6.539 20.990 1.00 23.24 N ATOM 601 CA THR A 43 -6.194 -7.833 20.483 1.00 63.20 C ATOM 602 C THR A 43 -6.015 -7.922 18.972 1.00 20.54 C ATOM 603 O THR A 43 -6.175 -6.933 18.258 1.00 60.44 O ATOM 604 CB THR A 43 -7.672 -8.097 20.831 1.00 14.53 C ATOM 605 OG1 THR A 43 -8.468 -6.962 20.476 1.00 63.44 O ATOM 606 CG2 THR A 43 -7.834 -8.395 22.313 1.00 61.40 C ATOM 0 H THR A 43 -6.508 -5.917 21.275 1.00 23.24 H new ATOM 0 HA THR A 43 -5.574 -8.590 20.964 1.00 63.20 H new ATOM 0 HB THR A 43 -8.007 -8.966 20.265 1.00 14.53 H new ATOM 0 HG1 THR A 43 -9.406 -7.138 20.698 1.00 63.44 H new ATOM 0 HG21 THR A 43 -8.885 -8.578 22.535 1.00 61.40 H new ATOM 0 HG22 THR A 43 -7.250 -9.278 22.573 1.00 61.40 H new ATOM 0 HG23 THR A 43 -7.483 -7.543 22.896 1.00 61.40 H new ATOM 614 N GLY A 44 -5.683 -9.116 18.490 1.00 54.31 N ATOM 615 CA GLY A 44 -5.487 -9.312 17.065 1.00 41.42 C ATOM 616 C GLY A 44 -6.454 -8.496 16.230 1.00 2.51 C ATOM 617 O GLY A 44 -7.605 -8.890 16.036 1.00 43.32 O ATOM 0 H GLY A 44 -5.546 -9.951 19.060 1.00 54.31 H new ATOM 0 HA2 GLY A 44 -4.465 -9.040 16.801 1.00 41.42 H new ATOM 0 HA3 GLY A 44 -5.608 -10.369 16.827 1.00 41.42 H new ATOM 621 N THR A 45 -5.988 -7.353 15.735 1.00 2.22 N ATOM 622 CA THR A 45 -6.820 -6.478 14.919 1.00 15.54 C ATOM 623 C THR A 45 -5.968 -5.617 13.993 1.00 63.23 C ATOM 624 O THR A 45 -4.813 -5.317 14.295 1.00 71.21 O ATOM 625 CB THR A 45 -7.697 -5.562 15.793 1.00 51.40 C ATOM 626 OG1 THR A 45 -6.912 -4.995 16.849 1.00 24.01 O ATOM 627 CG2 THR A 45 -8.868 -6.333 16.381 1.00 73.52 C ATOM 0 H THR A 45 -5.038 -7.012 15.885 1.00 2.22 H new ATOM 0 HA THR A 45 -7.465 -7.121 14.320 1.00 15.54 H new ATOM 0 HB THR A 45 -8.090 -4.763 15.164 1.00 51.40 H new ATOM 0 HG1 THR A 45 -7.227 -4.087 17.040 1.00 24.01 H new ATOM 0 HG21 THR A 45 -9.473 -5.665 16.994 1.00 73.52 H new ATOM 0 HG22 THR A 45 -9.479 -6.737 15.574 1.00 73.52 H new ATOM 0 HG23 THR A 45 -8.493 -7.150 16.997 1.00 73.52 H new ATOM 635 N LYS A 46 -6.546 -5.220 12.864 1.00 33.51 N ATOM 636 CA LYS A 46 -5.842 -4.390 11.893 1.00 73.44 C ATOM 637 C LYS A 46 -6.776 -3.955 10.770 1.00 32.22 C ATOM 638 O LYS A 46 -7.488 -4.774 10.189 1.00 60.01 O ATOM 639 CB LYS A 46 -4.648 -5.152 11.313 1.00 42.21 C ATOM 640 CG LYS A 46 -4.992 -6.554 10.840 1.00 62.31 C ATOM 641 CD LYS A 46 -3.869 -7.154 10.012 1.00 31.22 C ATOM 642 CE LYS A 46 -2.676 -7.529 10.879 1.00 13.11 C ATOM 643 NZ LYS A 46 -2.521 -9.005 11.001 1.00 11.33 N ATOM 0 H LYS A 46 -7.501 -5.460 12.599 1.00 33.51 H new ATOM 0 HA LYS A 46 -5.482 -3.498 12.406 1.00 73.44 H new ATOM 0 HB2 LYS A 46 -4.238 -4.586 10.477 1.00 42.21 H new ATOM 0 HB3 LYS A 46 -3.866 -5.215 12.069 1.00 42.21 H new ATOM 0 HG2 LYS A 46 -5.190 -7.191 11.702 1.00 62.31 H new ATOM 0 HG3 LYS A 46 -5.907 -6.525 10.248 1.00 62.31 H new ATOM 0 HD2 LYS A 46 -4.233 -8.039 9.490 1.00 31.22 H new ATOM 0 HD3 LYS A 46 -3.556 -6.440 9.250 1.00 31.22 H new ATOM 0 HE2 LYS A 46 -1.768 -7.103 10.452 1.00 13.11 H new ATOM 0 HE3 LYS A 46 -2.797 -7.093 11.871 1.00 13.11 H new ATOM 0 HZ1 LYS A 46 -1.698 -9.219 11.599 1.00 11.33 H new ATOM 0 HZ2 LYS A 46 -3.377 -9.409 11.432 1.00 11.33 H new ATOM 0 HZ3 LYS A 46 -2.380 -9.418 10.057 1.00 11.33 H new ATOM 657 N VAL A 47 -6.767 -2.661 10.467 1.00 64.44 N ATOM 658 CA VAL A 47 -7.613 -2.117 9.411 1.00 12.33 C ATOM 659 C VAL A 47 -7.004 -2.370 8.036 1.00 42.02 C ATOM 660 O VAL A 47 -6.005 -1.754 7.663 1.00 21.13 O ATOM 661 CB VAL A 47 -7.833 -0.603 9.591 1.00 73.33 C ATOM 662 CG1 VAL A 47 -8.640 -0.039 8.432 1.00 60.53 C ATOM 663 CG2 VAL A 47 -8.521 -0.321 10.918 1.00 23.40 C ATOM 0 H VAL A 47 -6.183 -1.970 10.938 1.00 64.44 H new ATOM 0 HA VAL A 47 -8.574 -2.627 9.481 1.00 12.33 H new ATOM 0 HB VAL A 47 -6.861 -0.110 9.599 1.00 73.33 H new ATOM 0 HG11 VAL A 47 -8.785 1.032 8.577 1.00 60.53 H new ATOM 0 HG12 VAL A 47 -8.104 -0.210 7.498 1.00 60.53 H new ATOM 0 HG13 VAL A 47 -9.610 -0.534 8.389 1.00 60.53 H new ATOM 0 HG21 VAL A 47 -8.669 0.753 11.030 1.00 23.40 H new ATOM 0 HG22 VAL A 47 -9.487 -0.825 10.941 1.00 23.40 H new ATOM 0 HG23 VAL A 47 -7.900 -0.689 11.735 1.00 23.40 H new ATOM 673 N THR A 48 -7.614 -3.282 7.284 1.00 4.21 N ATOM 674 CA THR A 48 -7.133 -3.617 5.950 1.00 10.02 C ATOM 675 C THR A 48 -7.211 -2.413 5.018 1.00 13.01 C ATOM 676 O THR A 48 -6.236 -2.070 4.349 1.00 71.14 O ATOM 677 CB THR A 48 -7.939 -4.779 5.337 1.00 62.31 C ATOM 678 OG1 THR A 48 -8.448 -5.622 6.376 1.00 33.31 O ATOM 679 CG2 THR A 48 -7.075 -5.597 4.390 1.00 52.12 C ATOM 0 H THR A 48 -8.442 -3.801 7.577 1.00 4.21 H new ATOM 0 HA THR A 48 -6.092 -3.923 6.058 1.00 10.02 H new ATOM 0 HB THR A 48 -8.770 -4.358 4.771 1.00 62.31 H new ATOM 0 HG1 THR A 48 -8.960 -6.357 5.979 1.00 33.31 H new ATOM 0 HG21 THR A 48 -7.666 -6.411 3.970 1.00 52.12 H new ATOM 0 HG22 THR A 48 -6.713 -4.958 3.584 1.00 52.12 H new ATOM 0 HG23 THR A 48 -6.226 -6.009 4.936 1.00 52.12 H new ATOM 687 N SER A 49 -8.376 -1.776 4.979 1.00 3.42 N ATOM 688 CA SER A 49 -8.582 -0.611 4.126 1.00 52.43 C ATOM 689 C SER A 49 -9.453 0.428 4.825 1.00 24.42 C ATOM 690 O SER A 49 -10.427 0.087 5.496 1.00 1.23 O ATOM 691 CB SER A 49 -9.229 -1.028 2.803 1.00 53.11 C ATOM 692 OG SER A 49 -8.252 -1.194 1.789 1.00 24.23 O ATOM 0 H SER A 49 -9.192 -2.046 5.528 1.00 3.42 H new ATOM 0 HA SER A 49 -7.608 -0.166 3.922 1.00 52.43 H new ATOM 0 HB2 SER A 49 -9.778 -1.960 2.940 1.00 53.11 H new ATOM 0 HB3 SER A 49 -9.953 -0.274 2.495 1.00 53.11 H new ATOM 0 HG SER A 49 -8.689 -1.462 0.954 1.00 24.23 H new ATOM 698 N ALA A 50 -9.095 1.697 4.664 1.00 53.22 N ATOM 699 CA ALA A 50 -9.844 2.787 5.278 1.00 20.02 C ATOM 700 C ALA A 50 -10.385 3.745 4.221 1.00 74.43 C ATOM 701 O ALA A 50 -9.731 4.000 3.210 1.00 11.12 O ATOM 702 CB ALA A 50 -8.968 3.535 6.272 1.00 63.52 C ATOM 0 H ALA A 50 -8.290 1.996 4.113 1.00 53.22 H new ATOM 0 HA ALA A 50 -10.693 2.357 5.810 1.00 20.02 H new ATOM 0 HB1 ALA A 50 -9.540 4.346 6.723 1.00 63.52 H new ATOM 0 HB2 ALA A 50 -8.635 2.849 7.051 1.00 63.52 H new ATOM 0 HB3 ALA A 50 -8.101 3.946 5.755 1.00 63.52 H new ATOM 708 N TRP A 51 -11.580 4.270 4.463 1.00 34.42 N ATOM 709 CA TRP A 51 -12.208 5.199 3.531 1.00 64.22 C ATOM 710 C TRP A 51 -12.716 6.439 4.258 1.00 41.25 C ATOM 711 O TRP A 51 -13.241 6.349 5.368 1.00 13.22 O ATOM 712 CB TRP A 51 -13.363 4.515 2.797 1.00 32.01 C ATOM 713 CG TRP A 51 -14.321 3.820 3.715 1.00 30.14 C ATOM 714 CD1 TRP A 51 -15.293 4.400 4.478 1.00 43.12 C ATOM 715 CD2 TRP A 51 -14.398 2.412 3.967 1.00 43.13 C ATOM 716 NE1 TRP A 51 -15.969 3.440 5.190 1.00 25.35 N ATOM 717 CE2 TRP A 51 -15.439 2.212 4.893 1.00 24.44 C ATOM 718 CE3 TRP A 51 -13.689 1.302 3.500 1.00 1.43 C ATOM 719 CZ2 TRP A 51 -15.788 0.946 5.360 1.00 51.43 C ATOM 720 CZ3 TRP A 51 -14.035 0.047 3.964 1.00 40.11 C ATOM 721 CH2 TRP A 51 -15.077 -0.123 4.885 1.00 41.12 C ATOM 0 H TRP A 51 -12.133 4.069 5.296 1.00 34.42 H new ATOM 0 HA TRP A 51 -11.457 5.508 2.804 1.00 64.22 H new ATOM 0 HB2 TRP A 51 -13.905 5.259 2.214 1.00 32.01 H new ATOM 0 HB3 TRP A 51 -12.957 3.791 2.091 1.00 32.01 H new ATOM 0 HD1 TRP A 51 -15.500 5.459 4.516 1.00 43.12 H new ATOM 0 HE1 TRP A 51 -16.740 3.613 5.835 1.00 25.35 H new ATOM 0 HE3 TRP A 51 -12.885 1.423 2.789 1.00 1.43 H new ATOM 0 HZ2 TRP A 51 -16.590 0.813 6.071 1.00 51.43 H new ATOM 0 HZ3 TRP A 51 -13.493 -0.818 3.611 1.00 40.11 H new ATOM 0 HH2 TRP A 51 -15.324 -1.117 5.227 1.00 41.12 H new ATOM 732 N ASP A 52 -12.557 7.597 3.626 1.00 11.30 N ATOM 733 CA ASP A 52 -13.001 8.857 4.213 1.00 35.22 C ATOM 734 C ASP A 52 -12.207 9.177 5.475 1.00 73.20 C ATOM 735 O ASP A 52 -12.584 10.054 6.251 1.00 51.44 O ATOM 736 CB ASP A 52 -14.495 8.794 4.537 1.00 13.12 C ATOM 737 CG ASP A 52 -15.108 10.169 4.706 1.00 64.03 C ATOM 738 OD1 ASP A 52 -14.651 11.111 4.025 1.00 54.30 O ATOM 739 OD2 ASP A 52 -16.046 10.306 5.519 1.00 72.32 O ATOM 0 H ASP A 52 -12.124 7.690 2.707 1.00 11.30 H new ATOM 0 HA ASP A 52 -12.828 9.650 3.486 1.00 35.22 H new ATOM 0 HB2 ASP A 52 -15.015 8.263 3.740 1.00 13.12 H new ATOM 0 HB3 ASP A 52 -14.642 8.219 5.451 1.00 13.12 H new ATOM 744 N ALA A 53 -11.107 8.458 5.675 1.00 72.14 N ATOM 745 CA ALA A 53 -10.259 8.667 6.842 1.00 31.34 C ATOM 746 C ALA A 53 -8.980 7.843 6.746 1.00 51.02 C ATOM 747 O ALA A 53 -9.001 6.622 6.903 1.00 61.13 O ATOM 748 CB ALA A 53 -11.018 8.319 8.115 1.00 50.21 C ATOM 0 H ALA A 53 -10.782 7.726 5.044 1.00 72.14 H new ATOM 0 HA ALA A 53 -9.980 9.720 6.874 1.00 31.34 H new ATOM 0 HB1 ALA A 53 -10.373 8.480 8.979 1.00 50.21 H new ATOM 0 HB2 ALA A 53 -11.900 8.954 8.198 1.00 50.21 H new ATOM 0 HB3 ALA A 53 -11.325 7.274 8.081 1.00 50.21 H new ATOM 754 N THR A 54 -7.865 8.518 6.486 1.00 52.54 N ATOM 755 CA THR A 54 -6.575 7.849 6.367 1.00 60.31 C ATOM 756 C THR A 54 -6.191 7.159 7.671 1.00 4.25 C ATOM 757 O THR A 54 -5.610 7.775 8.563 1.00 72.20 O ATOM 758 CB THR A 54 -5.462 8.840 5.977 1.00 13.33 C ATOM 759 OG1 THR A 54 -5.744 9.414 4.696 1.00 11.05 O ATOM 760 CG2 THR A 54 -4.108 8.146 5.940 1.00 25.45 C ATOM 0 H THR A 54 -7.829 9.529 6.354 1.00 52.54 H new ATOM 0 HA THR A 54 -6.678 7.102 5.580 1.00 60.31 H new ATOM 0 HB THR A 54 -5.428 9.629 6.729 1.00 13.33 H new ATOM 0 HG1 THR A 54 -5.033 10.044 4.456 1.00 11.05 H new ATOM 0 HG21 THR A 54 -3.338 8.866 5.662 1.00 25.45 H new ATOM 0 HG22 THR A 54 -3.883 7.735 6.924 1.00 25.45 H new ATOM 0 HG23 THR A 54 -4.132 7.340 5.207 1.00 25.45 H new ATOM 768 N VAL A 55 -6.521 5.875 7.774 1.00 51.21 N ATOM 769 CA VAL A 55 -6.208 5.100 8.968 1.00 71.22 C ATOM 770 C VAL A 55 -4.809 4.501 8.885 1.00 61.13 C ATOM 771 O VAL A 55 -4.497 3.747 7.963 1.00 12.12 O ATOM 772 CB VAL A 55 -7.228 3.966 9.184 1.00 33.24 C ATOM 773 CG1 VAL A 55 -6.853 3.134 10.402 1.00 45.51 C ATOM 774 CG2 VAL A 55 -8.632 4.532 9.325 1.00 23.24 C ATOM 0 H VAL A 55 -7.005 5.350 7.045 1.00 51.21 H new ATOM 0 HA VAL A 55 -6.255 5.788 9.812 1.00 71.22 H new ATOM 0 HB VAL A 55 -7.211 3.314 8.311 1.00 33.24 H new ATOM 0 HG11 VAL A 55 -7.585 2.338 10.538 1.00 45.51 H new ATOM 0 HG12 VAL A 55 -5.865 2.697 10.254 1.00 45.51 H new ATOM 0 HG13 VAL A 55 -6.840 3.770 11.287 1.00 45.51 H new ATOM 0 HG21 VAL A 55 -9.339 3.717 9.477 1.00 23.24 H new ATOM 0 HG22 VAL A 55 -8.668 5.208 10.180 1.00 23.24 H new ATOM 0 HG23 VAL A 55 -8.897 5.078 8.420 1.00 23.24 H new ATOM 784 N THR A 56 -3.966 4.842 9.856 1.00 23.02 N ATOM 785 CA THR A 56 -2.599 4.339 9.892 1.00 45.31 C ATOM 786 C THR A 56 -2.351 3.509 11.147 1.00 3.01 C ATOM 787 O THR A 56 -3.197 3.450 12.039 1.00 53.31 O ATOM 788 CB THR A 56 -1.576 5.490 9.842 1.00 32.14 C ATOM 789 OG1 THR A 56 -0.256 4.964 9.668 1.00 12.03 O ATOM 790 CG2 THR A 56 -1.633 6.321 11.114 1.00 73.15 C ATOM 0 H THR A 56 -4.207 5.464 10.627 1.00 23.02 H new ATOM 0 HA THR A 56 -2.471 3.709 9.012 1.00 45.31 H new ATOM 0 HB THR A 56 -1.825 6.132 8.997 1.00 32.14 H new ATOM 0 HG1 THR A 56 0.388 5.702 9.635 1.00 12.03 H new ATOM 0 HG21 THR A 56 -0.902 7.127 11.055 1.00 73.15 H new ATOM 0 HG22 THR A 56 -2.631 6.744 11.228 1.00 73.15 H new ATOM 0 HG23 THR A 56 -1.407 5.688 11.972 1.00 73.15 H new ATOM 798 N ASN A 57 -1.187 2.871 11.208 1.00 22.12 N ATOM 799 CA ASN A 57 -0.829 2.044 12.355 1.00 24.52 C ATOM 800 C ASN A 57 0.582 2.365 12.838 1.00 43.10 C ATOM 801 O ASN A 57 1.392 2.919 12.095 1.00 61.14 O ATOM 802 CB ASN A 57 -0.930 0.560 11.992 1.00 40.45 C ATOM 803 CG ASN A 57 0.325 0.044 11.316 1.00 21.12 C ATOM 804 OD1 ASN A 57 0.545 0.278 10.127 1.00 32.21 O ATOM 805 ND2 ASN A 57 1.157 -0.663 12.073 1.00 24.22 N ATOM 0 H ASN A 57 -0.476 2.910 10.478 1.00 22.12 H new ATOM 0 HA ASN A 57 -1.529 2.263 13.161 1.00 24.52 H new ATOM 0 HB2 ASN A 57 -1.118 -0.020 12.895 1.00 40.45 H new ATOM 0 HB3 ASN A 57 -1.784 0.407 11.332 1.00 40.45 H new ATOM 0 HD21 ASN A 57 2.018 -1.036 11.673 1.00 24.22 H new ATOM 0 HD22 ASN A 57 0.935 -0.833 13.054 1.00 24.22 H new ATOM 812 N SER A 58 0.868 2.015 14.087 1.00 33.42 N ATOM 813 CA SER A 58 2.180 2.269 14.671 1.00 32.35 C ATOM 814 C SER A 58 2.433 1.346 15.860 1.00 75.30 C ATOM 815 O SER A 58 2.183 1.711 17.008 1.00 44.42 O ATOM 816 CB SER A 58 2.291 3.729 15.112 1.00 43.01 C ATOM 817 OG SER A 58 3.141 4.460 14.245 1.00 54.24 O ATOM 0 H SER A 58 0.209 1.555 14.715 1.00 33.42 H new ATOM 0 HA SER A 58 2.934 2.068 13.910 1.00 32.35 H new ATOM 0 HB2 SER A 58 1.301 4.185 15.125 1.00 43.01 H new ATOM 0 HB3 SER A 58 2.677 3.776 16.130 1.00 43.01 H new ATOM 0 HG SER A 58 2.905 4.265 13.314 1.00 54.24 H new ATOM 823 N GLY A 59 2.932 0.147 15.575 1.00 40.30 N ATOM 824 CA GLY A 59 3.211 -0.810 16.629 1.00 61.44 C ATOM 825 C GLY A 59 1.952 -1.451 17.179 1.00 51.31 C ATOM 826 O GLY A 59 1.497 -2.476 16.671 1.00 55.04 O ATOM 0 H GLY A 59 3.148 -0.178 14.633 1.00 40.30 H new ATOM 0 HA2 GLY A 59 3.872 -1.587 16.245 1.00 61.44 H new ATOM 0 HA3 GLY A 59 3.743 -0.310 17.438 1.00 61.44 H new ATOM 830 N ASP A 60 1.389 -0.847 18.220 1.00 74.51 N ATOM 831 CA ASP A 60 0.175 -1.366 18.840 1.00 11.02 C ATOM 832 C ASP A 60 -0.901 -0.288 18.912 1.00 4.44 C ATOM 833 O ASP A 60 -1.984 -0.512 19.455 1.00 1.20 O ATOM 834 CB ASP A 60 0.479 -1.895 20.242 1.00 34.13 C ATOM 835 CG ASP A 60 1.712 -2.777 20.274 1.00 33.54 C ATOM 836 OD1 ASP A 60 2.833 -2.232 20.224 1.00 15.42 O ATOM 837 OD2 ASP A 60 1.555 -4.015 20.348 1.00 64.40 O ATOM 0 H ASP A 60 1.754 0.002 18.652 1.00 74.51 H new ATOM 0 HA ASP A 60 -0.197 -2.185 18.224 1.00 11.02 H new ATOM 0 HB2 ASP A 60 0.620 -1.054 20.922 1.00 34.13 H new ATOM 0 HB3 ASP A 60 -0.378 -2.461 20.607 1.00 34.13 H new ATOM 842 N HIS A 61 -0.597 0.883 18.361 1.00 21.34 N ATOM 843 CA HIS A 61 -1.538 1.997 18.363 1.00 22.12 C ATOM 844 C HIS A 61 -1.975 2.342 16.943 1.00 10.01 C ATOM 845 O HIS A 61 -1.202 2.204 15.995 1.00 52.30 O ATOM 846 CB HIS A 61 -0.910 3.222 19.028 1.00 30.43 C ATOM 847 CG HIS A 61 -1.722 4.471 18.871 1.00 0.25 C ATOM 848 ND1 HIS A 61 -2.535 4.972 19.865 1.00 21.15 N ATOM 849 CD2 HIS A 61 -1.840 5.323 17.825 1.00 64.34 C ATOM 850 CE1 HIS A 61 -3.120 6.076 19.439 1.00 53.21 C ATOM 851 NE2 HIS A 61 -2.715 6.312 18.204 1.00 34.32 N ATOM 0 H HIS A 61 0.294 1.085 17.907 1.00 21.34 H new ATOM 0 HA HIS A 61 -2.418 1.696 18.932 1.00 22.12 H new ATOM 0 HB2 HIS A 61 -0.773 3.019 20.090 1.00 30.43 H new ATOM 0 HB3 HIS A 61 0.081 3.387 18.605 1.00 30.43 H new ATOM 0 HD2 HIS A 61 -1.340 5.240 16.871 1.00 64.34 H new ATOM 0 HE1 HIS A 61 -3.812 6.683 20.004 1.00 53.21 H new ATOM 0 HE2 HIS A 61 -3.005 7.101 17.626 1.00 34.32 H new ATOM 859 N TRP A 62 -3.218 2.789 16.803 1.00 72.03 N ATOM 860 CA TRP A 62 -3.756 3.153 15.497 1.00 63.25 C ATOM 861 C TRP A 62 -4.347 4.558 15.525 1.00 43.11 C ATOM 862 O TRP A 62 -4.666 5.088 16.590 1.00 51.03 O ATOM 863 CB TRP A 62 -4.824 2.146 15.065 1.00 0.41 C ATOM 864 CG TRP A 62 -4.253 0.864 14.540 1.00 14.00 C ATOM 865 CD1 TRP A 62 -3.643 -0.120 15.265 1.00 11.21 C ATOM 866 CD2 TRP A 62 -4.235 0.429 13.176 1.00 31.11 C ATOM 867 NE1 TRP A 62 -3.248 -1.141 14.434 1.00 63.30 N ATOM 868 CE2 TRP A 62 -3.601 -0.829 13.147 1.00 71.24 C ATOM 869 CE3 TRP A 62 -4.696 0.977 11.976 1.00 52.30 C ATOM 870 CZ2 TRP A 62 -3.416 -1.543 11.967 1.00 0.30 C ATOM 871 CZ3 TRP A 62 -4.512 0.268 10.805 1.00 34.31 C ATOM 872 CH2 TRP A 62 -3.876 -0.981 10.807 1.00 31.55 C ATOM 0 H TRP A 62 -3.872 2.908 17.577 1.00 72.03 H new ATOM 0 HA TRP A 62 -2.938 3.137 14.777 1.00 63.25 H new ATOM 0 HB2 TRP A 62 -5.471 1.926 15.914 1.00 0.41 H new ATOM 0 HB3 TRP A 62 -5.450 2.599 14.296 1.00 0.41 H new ATOM 0 HD1 TRP A 62 -3.493 -0.099 16.334 1.00 11.21 H new ATOM 0 HE1 TRP A 62 -2.770 -1.993 14.728 1.00 63.30 H new ATOM 0 HE3 TRP A 62 -5.188 1.938 11.964 1.00 52.30 H new ATOM 0 HZ2 TRP A 62 -2.927 -2.506 11.967 1.00 0.30 H new ATOM 0 HZ3 TRP A 62 -4.864 0.683 9.872 1.00 34.31 H new ATOM 0 HH2 TRP A 62 -3.746 -1.510 9.875 1.00 31.55 H new ATOM 883 N THR A 63 -4.493 5.159 14.348 1.00 33.14 N ATOM 884 CA THR A 63 -5.044 6.503 14.237 1.00 31.13 C ATOM 885 C THR A 63 -5.721 6.710 12.887 1.00 11.21 C ATOM 886 O THR A 63 -5.318 6.123 11.883 1.00 21.53 O ATOM 887 CB THR A 63 -3.954 7.574 14.422 1.00 54.33 C ATOM 888 OG1 THR A 63 -3.238 7.340 15.641 1.00 41.22 O ATOM 889 CG2 THR A 63 -4.563 8.968 14.446 1.00 44.02 C ATOM 0 H THR A 63 -4.236 4.734 13.457 1.00 33.14 H new ATOM 0 HA THR A 63 -5.784 6.608 15.031 1.00 31.13 H new ATOM 0 HB THR A 63 -3.266 7.509 13.579 1.00 54.33 H new ATOM 0 HG1 THR A 63 -2.546 8.025 15.750 1.00 41.22 H new ATOM 0 HG21 THR A 63 -3.773 9.708 14.578 1.00 44.02 H new ATOM 0 HG22 THR A 63 -5.082 9.155 13.506 1.00 44.02 H new ATOM 0 HG23 THR A 63 -5.271 9.042 15.272 1.00 44.02 H new ATOM 897 N ALA A 64 -6.749 7.551 12.869 1.00 24.33 N ATOM 898 CA ALA A 64 -7.480 7.838 11.641 1.00 34.22 C ATOM 899 C ALA A 64 -7.689 9.338 11.464 1.00 13.22 C ATOM 900 O ALA A 64 -8.372 9.979 12.263 1.00 11.40 O ATOM 901 CB ALA A 64 -8.818 7.113 11.641 1.00 50.51 C ATOM 0 H ALA A 64 -7.095 8.046 13.691 1.00 24.33 H new ATOM 0 HA ALA A 64 -6.885 7.479 10.801 1.00 34.22 H new ATOM 0 HB1 ALA A 64 -9.353 7.337 10.718 1.00 50.51 H new ATOM 0 HB2 ALA A 64 -8.650 6.038 11.712 1.00 50.51 H new ATOM 0 HB3 ALA A 64 -9.411 7.444 12.493 1.00 50.51 H new ATOM 907 N LYS A 65 -7.095 9.894 10.413 1.00 33.01 N ATOM 908 CA LYS A 65 -7.215 11.319 10.129 1.00 73.23 C ATOM 909 C LYS A 65 -7.514 11.557 8.654 1.00 12.44 C ATOM 910 O LYS A 65 -7.075 10.797 7.791 1.00 41.22 O ATOM 911 CB LYS A 65 -5.929 12.048 10.525 1.00 63.15 C ATOM 912 CG LYS A 65 -4.677 11.204 10.364 1.00 74.33 C ATOM 913 CD LYS A 65 -4.439 10.828 8.912 1.00 43.45 C ATOM 914 CE LYS A 65 -2.999 10.403 8.675 1.00 33.04 C ATOM 915 NZ LYS A 65 -2.140 11.549 8.266 1.00 23.00 N ATOM 0 H LYS A 65 -6.525 9.378 9.743 1.00 33.01 H new ATOM 0 HA LYS A 65 -8.044 11.713 10.716 1.00 73.23 H new ATOM 0 HB2 LYS A 65 -5.830 12.948 9.919 1.00 63.15 H new ATOM 0 HB3 LYS A 65 -6.009 12.370 11.563 1.00 63.15 H new ATOM 0 HG2 LYS A 65 -3.816 11.754 10.744 1.00 74.33 H new ATOM 0 HG3 LYS A 65 -4.768 10.299 10.965 1.00 74.33 H new ATOM 0 HD2 LYS A 65 -5.110 10.016 8.631 1.00 43.45 H new ATOM 0 HD3 LYS A 65 -4.679 11.677 8.271 1.00 43.45 H new ATOM 0 HE2 LYS A 65 -2.598 9.956 9.585 1.00 33.04 H new ATOM 0 HE3 LYS A 65 -2.970 9.634 7.903 1.00 33.04 H new ATOM 0 HZ1 LYS A 65 -1.166 11.216 8.114 1.00 23.00 H new ATOM 0 HZ2 LYS A 65 -2.507 11.960 7.384 1.00 23.00 H new ATOM 0 HZ3 LYS A 65 -2.146 12.272 9.014 1.00 23.00 H new ATOM 929 N ASN A 66 -8.263 12.618 8.369 1.00 52.31 N ATOM 930 CA ASN A 66 -8.619 12.957 6.996 1.00 61.41 C ATOM 931 C ASN A 66 -8.238 14.399 6.675 1.00 23.51 C ATOM 932 O ASN A 66 -7.802 14.705 5.566 1.00 1.14 O ATOM 933 CB ASN A 66 -10.118 12.751 6.771 1.00 32.14 C ATOM 934 CG ASN A 66 -10.421 12.149 5.412 1.00 30.03 C ATOM 935 OD1 ASN A 66 -9.845 11.131 5.029 1.00 33.12 O ATOM 936 ND2 ASN A 66 -11.330 12.778 4.676 1.00 2.33 N ATOM 0 H ASN A 66 -8.635 13.258 9.071 1.00 52.31 H new ATOM 0 HA ASN A 66 -8.064 12.297 6.329 1.00 61.41 H new ATOM 0 HB2 ASN A 66 -10.514 12.100 7.550 1.00 32.14 H new ATOM 0 HB3 ASN A 66 -10.632 13.708 6.864 1.00 32.14 H new ATOM 0 HD21 ASN A 66 -11.576 12.420 3.753 1.00 2.33 H new ATOM 0 HD22 ASN A 66 -11.783 13.619 5.034 1.00 2.33 H new ATOM 943 N VAL A 67 -8.408 15.282 7.654 1.00 34.54 N ATOM 944 CA VAL A 67 -8.082 16.691 7.477 1.00 60.44 C ATOM 945 C VAL A 67 -6.636 16.974 7.870 1.00 63.03 C ATOM 946 O VAL A 67 -6.339 17.987 8.501 1.00 63.12 O ATOM 947 CB VAL A 67 -9.014 17.592 8.311 1.00 54.11 C ATOM 948 CG1 VAL A 67 -10.417 17.594 7.725 1.00 71.24 C ATOM 949 CG2 VAL A 67 -9.033 17.140 9.763 1.00 34.24 C ATOM 0 H VAL A 67 -8.770 15.046 8.578 1.00 34.54 H new ATOM 0 HA VAL A 67 -8.220 16.917 6.420 1.00 60.44 H new ATOM 0 HB VAL A 67 -8.631 18.612 8.278 1.00 54.11 H new ATOM 0 HG11 VAL A 67 -11.062 18.235 8.326 1.00 71.24 H new ATOM 0 HG12 VAL A 67 -10.384 17.970 6.702 1.00 71.24 H new ATOM 0 HG13 VAL A 67 -10.813 16.578 7.726 1.00 71.24 H new ATOM 0 HG21 VAL A 67 -9.696 17.787 10.337 1.00 34.24 H new ATOM 0 HG22 VAL A 67 -9.391 16.112 9.819 1.00 34.24 H new ATOM 0 HG23 VAL A 67 -8.025 17.196 10.175 1.00 34.24 H new ATOM 959 N GLY A 68 -5.738 16.069 7.491 1.00 62.12 N ATOM 960 CA GLY A 68 -4.333 16.239 7.811 1.00 71.23 C ATOM 961 C GLY A 68 -3.646 17.233 6.895 1.00 40.02 C ATOM 962 O GLY A 68 -2.445 17.474 7.020 1.00 40.12 O ATOM 0 H GLY A 68 -5.959 15.221 6.968 1.00 62.12 H new ATOM 0 HA2 GLY A 68 -4.237 16.574 8.844 1.00 71.23 H new ATOM 0 HA3 GLY A 68 -3.828 15.275 7.740 1.00 71.23 H new ATOM 966 N TRP A 69 -4.407 17.809 5.973 1.00 23.21 N ATOM 967 CA TRP A 69 -3.863 18.781 5.031 1.00 21.32 C ATOM 968 C TRP A 69 -4.406 20.178 5.316 1.00 21.05 C ATOM 969 O TRP A 69 -3.826 21.176 4.893 1.00 11.22 O ATOM 970 CB TRP A 69 -4.199 18.374 3.596 1.00 12.34 C ATOM 971 CG TRP A 69 -5.539 17.717 3.462 1.00 12.14 C ATOM 972 CD1 TRP A 69 -5.810 16.381 3.553 1.00 42.14 C ATOM 973 CD2 TRP A 69 -6.791 18.365 3.210 1.00 52.24 C ATOM 974 NE1 TRP A 69 -7.155 16.161 3.375 1.00 53.50 N ATOM 975 CE2 TRP A 69 -7.778 17.362 3.163 1.00 61.32 C ATOM 976 CE3 TRP A 69 -7.173 19.697 3.023 1.00 32.55 C ATOM 977 CZ2 TRP A 69 -9.121 17.651 2.935 1.00 13.21 C ATOM 978 CZ3 TRP A 69 -8.506 19.981 2.797 1.00 11.45 C ATOM 979 CH2 TRP A 69 -9.468 18.962 2.755 1.00 15.12 C ATOM 0 H TRP A 69 -5.403 17.621 5.857 1.00 23.21 H new ATOM 0 HA TRP A 69 -2.780 18.800 5.152 1.00 21.32 H new ATOM 0 HB2 TRP A 69 -4.171 19.258 2.959 1.00 12.34 H new ATOM 0 HB3 TRP A 69 -3.431 17.693 3.230 1.00 12.34 H new ATOM 0 HD1 TRP A 69 -5.075 15.611 3.738 1.00 42.14 H new ATOM 0 HE1 TRP A 69 -7.615 15.251 3.397 1.00 53.50 H new ATOM 0 HE3 TRP A 69 -6.440 20.489 3.055 1.00 32.55 H new ATOM 0 HZ2 TRP A 69 -9.863 16.867 2.901 1.00 13.21 H new ATOM 0 HZ3 TRP A 69 -8.812 21.006 2.650 1.00 11.45 H new ATOM 0 HH2 TRP A 69 -10.502 19.217 2.577 1.00 15.12 H new ATOM 990 N ASN A 70 -5.522 20.239 6.035 1.00 14.01 N ATOM 991 CA ASN A 70 -6.143 21.514 6.376 1.00 11.11 C ATOM 992 C ASN A 70 -6.504 21.564 7.857 1.00 51.14 C ATOM 993 O ASN A 70 -5.885 22.290 8.633 1.00 71.22 O ATOM 994 CB ASN A 70 -7.395 21.739 5.525 1.00 32.30 C ATOM 995 CG ASN A 70 -7.105 22.536 4.268 1.00 30.05 C ATOM 996 OD1 ASN A 70 -5.961 22.613 3.819 1.00 1.30 O ATOM 997 ND2 ASN A 70 -8.142 23.132 3.694 1.00 4.40 N ATOM 0 H ASN A 70 -6.015 19.421 6.393 1.00 14.01 H new ATOM 0 HA ASN A 70 -5.425 22.307 6.169 1.00 11.11 H new ATOM 0 HB2 ASN A 70 -7.822 20.775 5.250 1.00 32.30 H new ATOM 0 HB3 ASN A 70 -8.145 22.262 6.118 1.00 32.30 H new ATOM 0 HD21 ASN A 70 -8.009 23.682 2.845 1.00 4.40 H new ATOM 0 HD22 ASN A 70 -9.073 23.041 4.102 1.00 4.40 H new ATOM 1004 N GLY A 71 -7.512 20.787 8.241 1.00 41.12 N ATOM 1005 CA GLY A 71 -7.938 20.757 9.629 1.00 4.22 C ATOM 1006 C GLY A 71 -8.996 21.800 9.932 1.00 24.01 C ATOM 1007 O GLY A 71 -9.929 21.546 10.695 1.00 31.41 O ATOM 0 H GLY A 71 -8.041 20.178 7.617 1.00 41.12 H new ATOM 0 HA2 GLY A 71 -8.329 19.767 9.865 1.00 4.22 H new ATOM 0 HA3 GLY A 71 -7.075 20.921 10.275 1.00 4.22 H new ATOM 1011 N THR A 72 -8.852 22.978 9.334 1.00 45.44 N ATOM 1012 CA THR A 72 -9.800 24.065 9.547 1.00 32.30 C ATOM 1013 C THR A 72 -11.233 23.596 9.317 1.00 53.10 C ATOM 1014 O THR A 72 -11.671 23.444 8.176 1.00 71.31 O ATOM 1015 CB THR A 72 -9.507 25.257 8.618 1.00 3.42 C ATOM 1016 OG1 THR A 72 -10.601 26.180 8.644 1.00 51.23 O ATOM 1017 CG2 THR A 72 -9.270 24.785 7.191 1.00 44.24 C ATOM 0 H THR A 72 -8.087 23.204 8.698 1.00 45.44 H new ATOM 0 HA THR A 72 -9.686 24.386 10.583 1.00 32.30 H new ATOM 0 HB THR A 72 -8.605 25.754 8.975 1.00 3.42 H new ATOM 0 HG1 THR A 72 -10.406 26.936 8.052 1.00 51.23 H new ATOM 0 HG21 THR A 72 -9.065 25.645 6.553 1.00 44.24 H new ATOM 0 HG22 THR A 72 -8.418 24.105 7.169 1.00 44.24 H new ATOM 0 HG23 THR A 72 -10.157 24.266 6.827 1.00 44.24 H new ATOM 1025 N LEU A 73 -11.958 23.369 10.406 1.00 43.01 N ATOM 1026 CA LEU A 73 -13.343 22.918 10.323 1.00 42.23 C ATOM 1027 C LEU A 73 -14.281 23.913 10.999 1.00 74.33 C ATOM 1028 O LEU A 73 -13.854 24.723 11.821 1.00 51.34 O ATOM 1029 CB LEU A 73 -13.491 21.539 10.969 1.00 72.04 C ATOM 1030 CG LEU A 73 -14.383 20.543 10.227 1.00 54.10 C ATOM 1031 CD1 LEU A 73 -13.541 19.591 9.393 1.00 43.40 C ATOM 1032 CD2 LEU A 73 -15.249 19.769 11.210 1.00 43.01 C ATOM 0 H LEU A 73 -11.610 23.490 11.357 1.00 43.01 H new ATOM 0 HA LEU A 73 -13.614 22.849 9.270 1.00 42.23 H new ATOM 0 HB2 LEU A 73 -12.499 21.100 11.073 1.00 72.04 H new ATOM 0 HB3 LEU A 73 -13.888 21.672 11.975 1.00 72.04 H new ATOM 0 HG LEU A 73 -15.037 21.100 9.556 1.00 54.10 H new ATOM 0 HD11 LEU A 73 -14.193 18.890 8.872 1.00 43.40 H new ATOM 0 HD12 LEU A 73 -12.964 20.159 8.664 1.00 43.40 H new ATOM 0 HD13 LEU A 73 -12.862 19.040 10.044 1.00 43.40 H new ATOM 0 HD21 LEU A 73 -15.878 19.065 10.665 1.00 43.01 H new ATOM 0 HD22 LEU A 73 -14.611 19.223 11.905 1.00 43.01 H new ATOM 0 HD23 LEU A 73 -15.880 20.464 11.765 1.00 43.01 H new ATOM 1044 N ALA A 74 -15.562 23.842 10.651 1.00 51.21 N ATOM 1045 CA ALA A 74 -16.560 24.734 11.228 1.00 23.35 C ATOM 1046 C ALA A 74 -16.837 24.378 12.685 1.00 52.12 C ATOM 1047 O ALA A 74 -16.530 23.280 13.150 1.00 60.20 O ATOM 1048 CB ALA A 74 -17.846 24.679 10.417 1.00 24.03 C ATOM 0 H ALA A 74 -15.933 23.176 9.973 1.00 51.21 H new ATOM 0 HA ALA A 74 -16.166 25.750 11.198 1.00 23.35 H new ATOM 0 HB1 ALA A 74 -18.583 25.350 10.858 1.00 24.03 H new ATOM 0 HB2 ALA A 74 -17.643 24.987 9.391 1.00 24.03 H new ATOM 0 HB3 ALA A 74 -18.234 23.661 10.419 1.00 24.03 H new ATOM 1054 N PRO A 75 -17.428 25.329 13.424 1.00 60.21 N ATOM 1055 CA PRO A 75 -17.757 25.139 14.840 1.00 24.32 C ATOM 1056 C PRO A 75 -18.890 24.138 15.043 1.00 43.41 C ATOM 1057 O PRO A 75 -19.104 23.643 16.148 1.00 14.10 O ATOM 1058 CB PRO A 75 -18.190 26.536 15.293 1.00 14.00 C ATOM 1059 CG PRO A 75 -18.666 27.206 14.052 1.00 63.31 C ATOM 1060 CD PRO A 75 -17.820 26.661 12.935 1.00 24.13 C ATOM 0 HA PRO A 75 -16.916 24.734 15.403 1.00 24.32 H new ATOM 0 HB2 PRO A 75 -18.980 26.482 16.042 1.00 14.00 H new ATOM 0 HB3 PRO A 75 -17.360 27.081 15.744 1.00 14.00 H new ATOM 0 HG2 PRO A 75 -19.722 27.000 13.878 1.00 63.31 H new ATOM 0 HG3 PRO A 75 -18.561 28.288 14.128 1.00 63.31 H new ATOM 0 HD2 PRO A 75 -18.379 26.598 12.001 1.00 24.13 H new ATOM 0 HD3 PRO A 75 -16.951 27.291 12.745 1.00 24.13 H new ATOM 1068 N GLY A 76 -19.615 23.846 13.967 1.00 13.42 N ATOM 1069 CA GLY A 76 -20.717 22.905 14.048 1.00 52.24 C ATOM 1070 C GLY A 76 -20.855 22.065 12.794 1.00 1.21 C ATOM 1071 O GLY A 76 -21.141 22.587 11.717 1.00 74.00 O ATOM 0 H GLY A 76 -19.459 24.244 13.041 1.00 13.42 H new ATOM 0 HA2 GLY A 76 -20.569 22.250 14.906 1.00 52.24 H new ATOM 0 HA3 GLY A 76 -21.645 23.451 14.220 1.00 52.24 H new ATOM 1075 N ALA A 77 -20.651 20.759 12.934 1.00 42.31 N ATOM 1076 CA ALA A 77 -20.756 19.844 11.804 1.00 74.11 C ATOM 1077 C ALA A 77 -20.575 18.397 12.250 1.00 23.21 C ATOM 1078 O ALA A 77 -20.235 18.131 13.403 1.00 1.51 O ATOM 1079 CB ALA A 77 -19.730 20.202 10.739 1.00 15.32 C ATOM 0 H ALA A 77 -20.412 20.311 13.819 1.00 42.31 H new ATOM 0 HA ALA A 77 -21.755 19.943 11.379 1.00 74.11 H new ATOM 0 HB1 ALA A 77 -19.819 19.511 9.901 1.00 15.32 H new ATOM 0 HB2 ALA A 77 -19.907 21.220 10.391 1.00 15.32 H new ATOM 0 HB3 ALA A 77 -18.728 20.132 11.161 1.00 15.32 H new ATOM 1085 N SER A 78 -20.806 17.466 11.330 1.00 51.22 N ATOM 1086 CA SER A 78 -20.673 16.045 11.631 1.00 44.31 C ATOM 1087 C SER A 78 -19.800 15.349 10.592 1.00 0.33 C ATOM 1088 O SER A 78 -19.997 15.513 9.388 1.00 43.32 O ATOM 1089 CB SER A 78 -22.051 15.382 11.683 1.00 3.31 C ATOM 1090 OG SER A 78 -22.973 16.178 12.407 1.00 2.25 O ATOM 0 H SER A 78 -21.086 17.670 10.371 1.00 51.22 H new ATOM 0 HA SER A 78 -20.194 15.948 12.605 1.00 44.31 H new ATOM 0 HB2 SER A 78 -22.420 15.223 10.670 1.00 3.31 H new ATOM 0 HB3 SER A 78 -21.968 14.400 12.150 1.00 3.31 H new ATOM 0 HG SER A 78 -23.846 15.733 12.424 1.00 2.25 H new ATOM 1096 N VAL A 79 -18.833 14.571 11.066 1.00 74.12 N ATOM 1097 CA VAL A 79 -17.928 13.848 10.179 1.00 65.12 C ATOM 1098 C VAL A 79 -17.886 12.365 10.528 1.00 41.02 C ATOM 1099 O VAL A 79 -17.420 11.982 11.600 1.00 71.31 O ATOM 1100 CB VAL A 79 -16.500 14.421 10.247 1.00 42.51 C ATOM 1101 CG1 VAL A 79 -16.020 14.491 11.688 1.00 32.15 C ATOM 1102 CG2 VAL A 79 -15.552 13.585 9.400 1.00 41.52 C ATOM 0 H VAL A 79 -18.655 14.425 12.060 1.00 74.12 H new ATOM 0 HA VAL A 79 -18.312 13.969 9.166 1.00 65.12 H new ATOM 0 HB VAL A 79 -16.513 15.434 9.845 1.00 42.51 H new ATOM 0 HG11 VAL A 79 -15.009 14.898 11.715 1.00 32.15 H new ATOM 0 HG12 VAL A 79 -16.686 15.134 12.263 1.00 32.15 H new ATOM 0 HG13 VAL A 79 -16.020 13.490 12.120 1.00 32.15 H new ATOM 0 HG21 VAL A 79 -14.547 14.003 9.459 1.00 41.52 H new ATOM 0 HG22 VAL A 79 -15.541 12.560 9.771 1.00 41.52 H new ATOM 0 HG23 VAL A 79 -15.888 13.592 8.363 1.00 41.52 H new ATOM 1112 N SER A 80 -18.377 11.534 9.614 1.00 34.14 N ATOM 1113 CA SER A 80 -18.399 10.091 9.825 1.00 72.34 C ATOM 1114 C SER A 80 -17.383 9.395 8.925 1.00 71.24 C ATOM 1115 O SER A 80 -17.284 9.693 7.735 1.00 12.53 O ATOM 1116 CB SER A 80 -19.799 9.536 9.559 1.00 52.33 C ATOM 1117 OG SER A 80 -20.571 10.446 8.794 1.00 62.25 O ATOM 0 H SER A 80 -18.765 11.835 8.720 1.00 34.14 H new ATOM 0 HA SER A 80 -18.131 9.897 10.864 1.00 72.34 H new ATOM 0 HB2 SER A 80 -19.723 8.585 9.031 1.00 52.33 H new ATOM 0 HB3 SER A 80 -20.300 9.335 10.506 1.00 52.33 H new ATOM 0 HG SER A 80 -21.461 10.068 8.636 1.00 62.25 H new ATOM 1123 N PHE A 81 -16.629 8.465 9.502 1.00 44.22 N ATOM 1124 CA PHE A 81 -15.619 7.726 8.754 1.00 21.32 C ATOM 1125 C PHE A 81 -15.615 6.253 9.154 1.00 74.13 C ATOM 1126 O PHE A 81 -15.701 5.920 10.336 1.00 4.33 O ATOM 1127 CB PHE A 81 -14.235 8.334 8.986 1.00 13.54 C ATOM 1128 CG PHE A 81 -13.614 7.930 10.293 1.00 14.10 C ATOM 1129 CD1 PHE A 81 -13.894 8.632 11.455 1.00 10.45 C ATOM 1130 CD2 PHE A 81 -12.751 6.848 10.360 1.00 1.31 C ATOM 1131 CE1 PHE A 81 -13.324 8.263 12.658 1.00 21.02 C ATOM 1132 CE2 PHE A 81 -12.178 6.474 11.561 1.00 54.11 C ATOM 1133 CZ PHE A 81 -12.465 7.182 12.711 1.00 61.02 C ATOM 0 H PHE A 81 -16.699 8.205 10.486 1.00 44.22 H new ATOM 0 HA PHE A 81 -15.865 7.795 7.694 1.00 21.32 H new ATOM 0 HB2 PHE A 81 -13.575 8.036 8.172 1.00 13.54 H new ATOM 0 HB3 PHE A 81 -14.314 9.421 8.951 1.00 13.54 H new ATOM 0 HD1 PHE A 81 -14.565 9.477 11.419 1.00 10.45 H new ATOM 0 HD2 PHE A 81 -12.523 6.290 9.463 1.00 1.31 H new ATOM 0 HE1 PHE A 81 -13.550 8.819 13.556 1.00 21.02 H new ATOM 0 HE2 PHE A 81 -11.507 5.629 11.600 1.00 54.11 H new ATOM 0 HZ PHE A 81 -12.019 6.891 13.651 1.00 61.02 H new ATOM 1143 N GLY A 82 -15.511 5.376 8.161 1.00 65.42 N ATOM 1144 CA GLY A 82 -15.498 3.950 8.429 1.00 70.22 C ATOM 1145 C GLY A 82 -14.384 3.232 7.694 1.00 12.14 C ATOM 1146 O GLY A 82 -13.717 3.817 6.840 1.00 32.11 O ATOM 0 H GLY A 82 -15.435 5.627 7.175 1.00 65.42 H new ATOM 0 HA2 GLY A 82 -15.387 3.786 9.501 1.00 70.22 H new ATOM 0 HA3 GLY A 82 -16.457 3.520 8.139 1.00 70.22 H new ATOM 1150 N PHE A 83 -14.181 1.961 8.024 1.00 3.31 N ATOM 1151 CA PHE A 83 -13.139 1.163 7.390 1.00 30.21 C ATOM 1152 C PHE A 83 -13.428 -0.328 7.540 1.00 2.42 C ATOM 1153 O PHE A 83 -14.436 -0.720 8.127 1.00 54.24 O ATOM 1154 CB PHE A 83 -11.774 1.493 7.998 1.00 41.31 C ATOM 1155 CG PHE A 83 -11.719 1.304 9.486 1.00 21.32 C ATOM 1156 CD1 PHE A 83 -11.722 0.032 10.037 1.00 13.33 C ATOM 1157 CD2 PHE A 83 -11.664 2.397 10.336 1.00 23.21 C ATOM 1158 CE1 PHE A 83 -11.672 -0.144 11.407 1.00 4.14 C ATOM 1159 CE2 PHE A 83 -11.613 2.227 11.706 1.00 64.52 C ATOM 1160 CZ PHE A 83 -11.617 0.954 12.242 1.00 53.21 C ATOM 0 H PHE A 83 -14.725 1.461 8.727 1.00 3.31 H new ATOM 0 HA PHE A 83 -13.125 1.407 6.328 1.00 30.21 H new ATOM 0 HB2 PHE A 83 -11.016 0.864 7.532 1.00 41.31 H new ATOM 0 HB3 PHE A 83 -11.520 2.526 7.761 1.00 41.31 H new ATOM 0 HD1 PHE A 83 -11.764 -0.831 9.389 1.00 13.33 H new ATOM 0 HD2 PHE A 83 -11.661 3.395 9.922 1.00 23.21 H new ATOM 0 HE1 PHE A 83 -11.676 -1.140 11.824 1.00 4.14 H new ATOM 0 HE2 PHE A 83 -11.570 3.088 12.357 1.00 64.52 H new ATOM 0 HZ PHE A 83 -11.577 0.818 13.313 1.00 53.21 H new ATOM 1170 N ASN A 84 -12.535 -1.155 7.004 1.00 63.13 N ATOM 1171 CA ASN A 84 -12.695 -2.602 7.077 1.00 14.12 C ATOM 1172 C ASN A 84 -11.461 -3.255 7.694 1.00 51.23 C ATOM 1173 O ASN A 84 -10.339 -3.044 7.234 1.00 62.44 O ATOM 1174 CB ASN A 84 -12.947 -3.179 5.682 1.00 73.22 C ATOM 1175 CG ASN A 84 -12.650 -4.665 5.609 1.00 40.43 C ATOM 1176 OD1 ASN A 84 -12.003 -5.134 4.672 1.00 61.21 O ATOM 1177 ND2 ASN A 84 -13.123 -5.412 6.599 1.00 34.31 N ATOM 0 H ASN A 84 -11.694 -0.847 6.515 1.00 63.13 H new ATOM 0 HA ASN A 84 -13.554 -2.816 7.712 1.00 14.12 H new ATOM 0 HB2 ASN A 84 -13.986 -3.005 5.402 1.00 73.22 H new ATOM 0 HB3 ASN A 84 -12.328 -2.651 4.956 1.00 73.22 H new ATOM 0 HD21 ASN A 84 -12.955 -6.418 6.604 1.00 34.31 H new ATOM 0 HD22 ASN A 84 -13.654 -4.980 7.355 1.00 34.31 H new ATOM 1184 N GLY A 85 -11.678 -4.049 8.737 1.00 75.53 N ATOM 1185 CA GLY A 85 -10.575 -4.720 9.401 1.00 0.24 C ATOM 1186 C GLY A 85 -10.843 -6.196 9.621 1.00 4.42 C ATOM 1187 O GLY A 85 -11.994 -6.630 9.631 1.00 65.45 O ATOM 0 H GLY A 85 -12.598 -4.240 9.135 1.00 75.53 H new ATOM 0 HA2 GLY A 85 -9.670 -4.603 8.804 1.00 0.24 H new ATOM 0 HA3 GLY A 85 -10.387 -4.241 10.362 1.00 0.24 H new ATOM 1191 N SER A 86 -9.776 -6.970 9.795 1.00 72.43 N ATOM 1192 CA SER A 86 -9.901 -8.407 10.010 1.00 63.42 C ATOM 1193 C SER A 86 -9.690 -8.756 11.480 1.00 75.41 C ATOM 1194 O SER A 86 -8.577 -8.671 11.996 1.00 33.23 O ATOM 1195 CB SER A 86 -8.892 -9.163 9.145 1.00 0.50 C ATOM 1196 OG SER A 86 -8.984 -8.764 7.787 1.00 23.42 O ATOM 0 H SER A 86 -8.816 -6.626 9.791 1.00 72.43 H new ATOM 0 HA SER A 86 -10.909 -8.706 9.724 1.00 63.42 H new ATOM 0 HB2 SER A 86 -7.883 -8.980 9.514 1.00 0.50 H new ATOM 0 HB3 SER A 86 -9.071 -10.235 9.225 1.00 0.50 H new ATOM 0 HG SER A 86 -8.328 -9.260 7.255 1.00 23.42 H new ATOM 1202 N GLY A 87 -10.769 -9.150 12.149 1.00 71.23 N ATOM 1203 CA GLY A 87 -10.683 -9.506 13.553 1.00 74.51 C ATOM 1204 C GLY A 87 -12.040 -9.544 14.228 1.00 14.33 C ATOM 1205 O GLY A 87 -13.079 -9.627 13.573 1.00 34.11 O ATOM 0 H GLY A 87 -11.702 -9.229 11.743 1.00 71.23 H new ATOM 0 HA2 GLY A 87 -10.206 -10.482 13.648 1.00 74.51 H new ATOM 0 HA3 GLY A 87 -10.045 -8.788 14.068 1.00 74.51 H new ATOM 1209 N PRO A 88 -12.041 -9.483 15.567 1.00 71.32 N ATOM 1210 CA PRO A 88 -13.274 -9.510 16.360 1.00 51.34 C ATOM 1211 C PRO A 88 -14.092 -8.232 16.203 1.00 4.45 C ATOM 1212 O PRO A 88 -15.322 -8.269 16.185 1.00 74.25 O ATOM 1213 CB PRO A 88 -12.769 -9.647 17.798 1.00 22.32 C ATOM 1214 CG PRO A 88 -11.396 -9.070 17.774 1.00 31.44 C ATOM 1215 CD PRO A 88 -10.839 -9.382 16.412 1.00 40.32 C ATOM 0 HA PRO A 88 -13.940 -10.315 16.049 1.00 51.34 H new ATOM 0 HB2 PRO A 88 -13.412 -9.111 18.496 1.00 22.32 H new ATOM 0 HB3 PRO A 88 -12.755 -10.690 18.115 1.00 22.32 H new ATOM 0 HG2 PRO A 88 -11.422 -7.994 17.948 1.00 31.44 H new ATOM 0 HG3 PRO A 88 -10.776 -9.505 18.558 1.00 31.44 H new ATOM 0 HD2 PRO A 88 -10.167 -8.598 16.063 1.00 40.32 H new ATOM 0 HD3 PRO A 88 -10.270 -10.312 16.414 1.00 40.32 H new ATOM 1223 N GLY A 89 -13.400 -7.103 16.088 1.00 43.44 N ATOM 1224 CA GLY A 89 -14.080 -5.829 15.932 1.00 74.32 C ATOM 1225 C GLY A 89 -14.407 -5.181 17.263 1.00 54.11 C ATOM 1226 O GLY A 89 -15.357 -4.406 17.367 1.00 65.02 O ATOM 0 H GLY A 89 -12.382 -7.047 16.100 1.00 43.44 H new ATOM 0 HA2 GLY A 89 -13.454 -5.155 15.347 1.00 74.32 H new ATOM 0 HA3 GLY A 89 -15.001 -5.978 15.368 1.00 74.32 H new ATOM 1230 N SER A 90 -13.618 -5.501 18.285 1.00 43.31 N ATOM 1231 CA SER A 90 -13.832 -4.947 19.618 1.00 10.23 C ATOM 1232 C SER A 90 -12.696 -4.006 20.004 1.00 42.51 C ATOM 1233 O SER A 90 -11.808 -4.350 20.784 1.00 21.22 O ATOM 1234 CB SER A 90 -13.949 -6.073 20.646 1.00 71.45 C ATOM 1235 OG SER A 90 -15.086 -6.880 20.393 1.00 24.12 O ATOM 0 H SER A 90 -12.826 -6.140 18.216 1.00 43.31 H new ATOM 0 HA SER A 90 -14.762 -4.378 19.604 1.00 10.23 H new ATOM 0 HB2 SER A 90 -13.050 -6.688 20.620 1.00 71.45 H new ATOM 0 HB3 SER A 90 -14.016 -5.649 21.648 1.00 71.45 H new ATOM 0 HG SER A 90 -15.137 -7.593 21.063 1.00 24.12 H new ATOM 1241 N PRO A 91 -12.723 -2.787 19.444 1.00 60.30 N ATOM 1242 CA PRO A 91 -11.703 -1.769 19.715 1.00 1.22 C ATOM 1243 C PRO A 91 -11.790 -1.226 21.137 1.00 60.25 C ATOM 1244 O PRO A 91 -12.794 -1.413 21.823 1.00 45.23 O ATOM 1245 CB PRO A 91 -12.023 -0.667 18.701 1.00 31.22 C ATOM 1246 CG PRO A 91 -13.474 -0.834 18.408 1.00 44.34 C ATOM 1247 CD PRO A 91 -13.751 -2.309 18.505 1.00 3.00 C ATOM 0 HA PRO A 91 -10.693 -2.170 19.625 1.00 1.22 H new ATOM 0 HB2 PRO A 91 -11.813 0.321 19.110 1.00 31.22 H new ATOM 0 HB3 PRO A 91 -11.422 -0.773 17.798 1.00 31.22 H new ATOM 0 HG2 PRO A 91 -14.082 -0.275 19.119 1.00 44.34 H new ATOM 0 HG3 PRO A 91 -13.717 -0.456 17.415 1.00 44.34 H new ATOM 0 HD2 PRO A 91 -14.757 -2.506 18.876 1.00 3.00 H new ATOM 0 HD3 PRO A 91 -13.668 -2.798 17.535 1.00 3.00 H new ATOM 1255 N SER A 92 -10.730 -0.552 21.574 1.00 0.20 N ATOM 1256 CA SER A 92 -10.685 0.016 22.916 1.00 24.21 C ATOM 1257 C SER A 92 -9.853 1.294 22.938 1.00 3.31 C ATOM 1258 O SER A 92 -9.170 1.620 21.967 1.00 23.32 O ATOM 1259 CB SER A 92 -10.108 -1.000 23.904 1.00 65.02 C ATOM 1260 OG SER A 92 -11.121 -1.529 24.742 1.00 10.12 O ATOM 0 H SER A 92 -9.891 -0.386 21.018 1.00 0.20 H new ATOM 0 HA SER A 92 -11.704 0.262 23.214 1.00 24.21 H new ATOM 0 HB2 SER A 92 -9.625 -1.810 23.357 1.00 65.02 H new ATOM 0 HB3 SER A 92 -9.340 -0.524 24.513 1.00 65.02 H new ATOM 0 HG SER A 92 -10.727 -2.177 25.363 1.00 10.12 H new ATOM 1266 N ASN A 93 -9.916 2.014 24.053 1.00 54.43 N ATOM 1267 CA ASN A 93 -9.168 3.258 24.203 1.00 14.42 C ATOM 1268 C ASN A 93 -9.562 4.263 23.123 1.00 33.34 C ATOM 1269 O ASN A 93 -8.714 4.744 22.371 1.00 4.32 O ATOM 1270 CB ASN A 93 -7.664 2.984 24.135 1.00 22.01 C ATOM 1271 CG ASN A 93 -7.097 2.545 25.472 1.00 12.55 C ATOM 1272 OD1 ASN A 93 -7.831 2.103 26.355 1.00 51.21 O ATOM 1273 ND2 ASN A 93 -5.782 2.664 25.624 1.00 21.41 N ATOM 0 H ASN A 93 -10.477 1.758 24.866 1.00 54.43 H new ATOM 0 HA ASN A 93 -9.410 3.684 25.177 1.00 14.42 H new ATOM 0 HB2 ASN A 93 -7.471 2.212 23.390 1.00 22.01 H new ATOM 0 HB3 ASN A 93 -7.148 3.884 23.802 1.00 22.01 H new ATOM 0 HD21 ASN A 93 -5.342 2.383 26.501 1.00 21.41 H new ATOM 0 HD22 ASN A 93 -5.212 3.036 24.864 1.00 21.41 H new ATOM 1280 N CYS A 94 -10.851 4.574 23.056 1.00 10.31 N ATOM 1281 CA CYS A 94 -11.358 5.521 22.069 1.00 15.43 C ATOM 1282 C CYS A 94 -11.018 6.953 22.466 1.00 51.24 C ATOM 1283 O CYS A 94 -11.764 7.600 23.201 1.00 54.24 O ATOM 1284 CB CYS A 94 -12.872 5.368 21.914 1.00 71.35 C ATOM 1285 SG CYS A 94 -13.430 3.654 21.777 1.00 34.31 S ATOM 0 H CYS A 94 -11.564 4.185 23.673 1.00 10.31 H new ATOM 0 HA CYS A 94 -10.879 5.304 21.114 1.00 15.43 H new ATOM 0 HB2 CYS A 94 -13.363 5.831 22.770 1.00 71.35 H new ATOM 0 HB3 CYS A 94 -13.193 5.915 21.028 1.00 71.35 H new ATOM 0 HG CYS A 94 -13.940 3.457 20.598 1.00 34.31 H new ATOM 1291 N LYS A 95 -9.884 7.445 21.975 1.00 31.30 N ATOM 1292 CA LYS A 95 -9.442 8.801 22.278 1.00 64.23 C ATOM 1293 C LYS A 95 -9.236 9.605 20.998 1.00 21.21 C ATOM 1294 O LYS A 95 -8.433 9.232 20.141 1.00 62.13 O ATOM 1295 CB LYS A 95 -8.144 8.768 23.087 1.00 62.32 C ATOM 1296 CG LYS A 95 -7.113 7.795 22.543 1.00 14.31 C ATOM 1297 CD LYS A 95 -6.860 6.651 23.510 1.00 64.20 C ATOM 1298 CE LYS A 95 -6.047 7.106 24.712 1.00 60.42 C ATOM 1299 NZ LYS A 95 -6.852 7.085 25.965 1.00 54.34 N ATOM 0 H LYS A 95 -9.254 6.923 21.365 1.00 31.30 H new ATOM 0 HA LYS A 95 -10.219 9.286 22.869 1.00 64.23 H new ATOM 0 HB2 LYS A 95 -7.712 9.769 23.106 1.00 62.32 H new ATOM 0 HB3 LYS A 95 -8.375 8.501 24.118 1.00 62.32 H new ATOM 0 HG2 LYS A 95 -7.456 7.396 21.588 1.00 14.31 H new ATOM 0 HG3 LYS A 95 -6.179 8.323 22.351 1.00 14.31 H new ATOM 0 HD2 LYS A 95 -7.812 6.241 23.847 1.00 64.20 H new ATOM 0 HD3 LYS A 95 -6.332 5.848 22.995 1.00 64.20 H new ATOM 0 HE2 LYS A 95 -5.177 6.459 24.828 1.00 60.42 H new ATOM 0 HE3 LYS A 95 -5.673 8.115 24.537 1.00 60.42 H new ATOM 0 HZ1 LYS A 95 -6.574 7.885 26.569 1.00 54.34 H new ATOM 0 HZ2 LYS A 95 -7.862 7.163 25.730 1.00 54.34 H new ATOM 0 HZ3 LYS A 95 -6.682 6.193 26.472 1.00 54.34 H new ATOM 1313 N LEU A 96 -9.964 10.709 20.874 1.00 31.45 N ATOM 1314 CA LEU A 96 -9.860 11.566 19.698 1.00 32.00 C ATOM 1315 C LEU A 96 -9.562 13.007 20.100 1.00 65.52 C ATOM 1316 O LEU A 96 -9.868 13.427 21.215 1.00 25.55 O ATOM 1317 CB LEU A 96 -11.153 11.508 18.884 1.00 11.40 C ATOM 1318 CG LEU A 96 -12.290 12.412 19.363 1.00 73.42 C ATOM 1319 CD1 LEU A 96 -12.475 13.586 18.415 1.00 62.11 C ATOM 1320 CD2 LEU A 96 -13.582 11.619 19.494 1.00 61.34 C ATOM 0 H LEU A 96 -10.633 11.032 21.573 1.00 31.45 H new ATOM 0 HA LEU A 96 -9.036 11.201 19.085 1.00 32.00 H new ATOM 0 HB2 LEU A 96 -10.920 11.767 17.851 1.00 11.40 H new ATOM 0 HB3 LEU A 96 -11.511 10.478 18.881 1.00 11.40 H new ATOM 0 HG LEU A 96 -12.027 12.805 20.345 1.00 73.42 H new ATOM 0 HD11 LEU A 96 -13.288 14.218 18.772 1.00 62.11 H new ATOM 0 HD12 LEU A 96 -11.555 14.168 18.373 1.00 62.11 H new ATOM 0 HD13 LEU A 96 -12.715 13.215 17.419 1.00 62.11 H new ATOM 0 HD21 LEU A 96 -14.380 12.278 19.836 1.00 61.34 H new ATOM 0 HD22 LEU A 96 -13.850 11.197 18.525 1.00 61.34 H new ATOM 0 HD23 LEU A 96 -13.443 10.813 20.215 1.00 61.34 H new ATOM 1332 N ASN A 97 -8.964 13.761 19.183 1.00 22.33 N ATOM 1333 CA ASN A 97 -8.628 15.156 19.441 1.00 73.24 C ATOM 1334 C ASN A 97 -7.622 15.270 20.583 1.00 52.41 C ATOM 1335 O ASN A 97 -7.565 16.285 21.276 1.00 42.03 O ATOM 1336 CB ASN A 97 -9.890 15.953 19.777 1.00 52.04 C ATOM 1337 CG ASN A 97 -9.892 17.328 19.137 1.00 1.42 C ATOM 1338 OD1 ASN A 97 -8.839 17.873 18.805 1.00 34.05 O ATOM 1339 ND2 ASN A 97 -11.080 17.895 18.959 1.00 13.01 N ATOM 0 H ASN A 97 -8.702 13.429 18.255 1.00 22.33 H new ATOM 0 HA ASN A 97 -8.176 15.568 18.539 1.00 73.24 H new ATOM 0 HB2 ASN A 97 -10.767 15.398 19.443 1.00 52.04 H new ATOM 0 HB3 ASN A 97 -9.973 16.058 20.859 1.00 52.04 H new ATOM 0 HD21 ASN A 97 -11.145 18.819 18.532 1.00 13.01 H new ATOM 0 HD22 ASN A 97 -11.927 17.406 19.249 1.00 13.01 H new ATOM 1346 N GLY A 98 -6.827 14.220 20.772 1.00 41.43 N ATOM 1347 CA GLY A 98 -5.833 14.223 21.829 1.00 42.34 C ATOM 1348 C GLY A 98 -6.414 13.824 23.171 1.00 52.25 C ATOM 1349 O GLY A 98 -6.108 14.436 24.194 1.00 31.02 O ATOM 0 H GLY A 98 -6.854 13.368 20.212 1.00 41.43 H new ATOM 0 HA2 GLY A 98 -5.027 13.538 21.567 1.00 42.34 H new ATOM 0 HA3 GLY A 98 -5.394 15.217 21.908 1.00 42.34 H new ATOM 1353 N GLY A 99 -7.257 12.797 23.168 1.00 33.41 N ATOM 1354 CA GLY A 99 -7.871 12.335 24.400 1.00 41.40 C ATOM 1355 C GLY A 99 -9.235 12.953 24.635 1.00 13.23 C ATOM 1356 O GLY A 99 -9.403 13.786 25.525 1.00 12.40 O ATOM 0 H GLY A 99 -7.527 12.276 22.334 1.00 33.41 H new ATOM 0 HA2 GLY A 99 -7.968 11.250 24.369 1.00 41.40 H new ATOM 0 HA3 GLY A 99 -7.218 12.573 25.240 1.00 41.40 H new ATOM 1360 N SER A 100 -10.213 12.545 23.832 1.00 25.30 N ATOM 1361 CA SER A 100 -11.569 13.067 23.953 1.00 52.22 C ATOM 1362 C SER A 100 -12.584 12.083 23.377 1.00 51.44 C ATOM 1363 O SER A 100 -12.435 11.611 22.250 1.00 44.12 O ATOM 1364 CB SER A 100 -11.685 14.414 23.237 1.00 1.21 C ATOM 1365 OG SER A 100 -12.277 15.389 24.078 1.00 45.22 O ATOM 0 H SER A 100 -10.091 11.855 23.091 1.00 25.30 H new ATOM 0 HA SER A 100 -11.785 13.206 25.012 1.00 52.22 H new ATOM 0 HB2 SER A 100 -10.696 14.750 22.925 1.00 1.21 H new ATOM 0 HB3 SER A 100 -12.282 14.298 22.332 1.00 1.21 H new ATOM 0 HG SER A 100 -12.338 16.241 23.598 1.00 45.22 H new ATOM 1371 N CYS A 101 -13.614 11.780 24.160 1.00 14.52 N ATOM 1372 CA CYS A 101 -14.653 10.852 23.730 1.00 45.40 C ATOM 1373 C CYS A 101 -15.938 11.072 24.521 1.00 2.34 C ATOM 1374 O CYS A 101 -15.945 11.774 25.532 1.00 24.24 O ATOM 1375 CB CYS A 101 -14.177 9.408 23.896 1.00 42.13 C ATOM 1376 SG CYS A 101 -13.490 9.041 25.528 1.00 33.21 S ATOM 0 H CYS A 101 -13.751 12.163 25.095 1.00 14.52 H new ATOM 0 HA CYS A 101 -14.860 11.039 22.676 1.00 45.40 H new ATOM 0 HB2 CYS A 101 -15.014 8.737 23.707 1.00 42.13 H new ATOM 0 HB3 CYS A 101 -13.421 9.196 23.139 1.00 42.13 H new ATOM 0 HG CYS A 101 -13.941 7.894 25.941 1.00 33.21 H new ATOM 1382 N ASP A 102 -17.026 10.468 24.051 1.00 14.11 N ATOM 1383 CA ASP A 102 -18.318 10.598 24.715 1.00 11.55 C ATOM 1384 C ASP A 102 -18.442 9.602 25.863 1.00 14.34 C ATOM 1385 O ASP A 102 -19.211 8.645 25.788 1.00 64.35 O ATOM 1386 CB ASP A 102 -19.452 10.383 23.712 1.00 24.25 C ATOM 1387 CG ASP A 102 -20.740 11.061 24.140 1.00 72.01 C ATOM 1388 OD1 ASP A 102 -21.428 10.519 25.030 1.00 51.21 O ATOM 1389 OD2 ASP A 102 -21.058 12.133 23.585 1.00 74.34 O ATOM 0 H ASP A 102 -17.038 9.885 23.214 1.00 14.11 H new ATOM 0 HA ASP A 102 -18.390 11.606 25.124 1.00 11.55 H new ATOM 0 HB2 ASP A 102 -19.149 10.767 22.738 1.00 24.25 H new ATOM 0 HB3 ASP A 102 -19.630 9.314 23.592 1.00 24.25 H new ATOM 1394 N GLY A 103 -17.677 9.833 26.925 1.00 61.33 N ATOM 1395 CA GLY A 103 -17.715 8.948 28.074 1.00 22.54 C ATOM 1396 C GLY A 103 -17.406 7.509 27.708 1.00 73.32 C ATOM 1397 O GLY A 103 -17.801 6.581 28.414 1.00 30.40 O ATOM 0 H GLY A 103 -17.031 10.618 27.010 1.00 61.33 H new ATOM 0 HA2 GLY A 103 -16.997 9.293 28.818 1.00 22.54 H new ATOM 0 HA3 GLY A 103 -18.701 8.999 28.535 1.00 22.54 H new ATOM 1401 N THR A 104 -16.697 7.322 26.599 1.00 10.12 N ATOM 1402 CA THR A 104 -16.337 5.987 26.138 1.00 45.22 C ATOM 1403 C THR A 104 -15.032 5.520 26.771 1.00 72.14 C ATOM 1404 O THR A 104 -14.218 6.333 27.211 1.00 2.11 O ATOM 1405 CB THR A 104 -16.196 5.941 24.605 1.00 1.11 C ATOM 1406 OG1 THR A 104 -16.717 7.144 24.029 1.00 13.41 O ATOM 1407 CG2 THR A 104 -16.929 4.739 24.029 1.00 32.41 C ATOM 0 H THR A 104 -16.361 8.079 26.003 1.00 10.12 H new ATOM 0 HA THR A 104 -17.144 5.320 26.441 1.00 45.22 H new ATOM 0 HB THR A 104 -15.137 5.851 24.363 1.00 1.11 H new ATOM 0 HG1 THR A 104 -16.622 7.108 23.054 1.00 13.41 H new ATOM 0 HG21 THR A 104 -16.815 4.728 22.945 1.00 32.41 H new ATOM 0 HG22 THR A 104 -16.511 3.823 24.447 1.00 32.41 H new ATOM 0 HG23 THR A 104 -17.987 4.803 24.282 1.00 32.41 H new ATOM 1415 N SER A 105 -14.837 4.206 26.814 1.00 74.43 N ATOM 1416 CA SER A 105 -13.631 3.631 27.398 1.00 13.31 C ATOM 1417 C SER A 105 -12.466 3.699 26.413 1.00 74.53 C ATOM 1418 O SER A 105 -11.749 2.719 26.218 1.00 41.30 O ATOM 1419 CB SER A 105 -13.880 2.179 27.811 1.00 14.32 C ATOM 1420 OG SER A 105 -12.799 1.673 28.576 1.00 44.51 O ATOM 0 H SER A 105 -15.499 3.520 26.451 1.00 74.43 H new ATOM 0 HA SER A 105 -13.372 4.213 28.283 1.00 13.31 H new ATOM 0 HB2 SER A 105 -14.801 2.115 28.391 1.00 14.32 H new ATOM 0 HB3 SER A 105 -14.020 1.564 26.922 1.00 14.32 H new ATOM 0 HG SER A 105 -11.973 1.727 28.051 1.00 44.51 H new TER 1426 SER A 105