USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1017 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 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.18 USER MOD Set 1.3: A 111 ASN : amide:sc= 0.195 X(o=0.38,f=0.21) USER MOD Set 1.4: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 HIS : no HD1:sc= 0 X(o=-0.56,f=-0.2) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 69 CYS SG : rot -130:sc= -0.556 USER MOD Set 3.1: A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 29:sc= 0.263 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.017) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.1!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 0.00275 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.042 K(o=0.042,f=-3.4!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 53 THR OG1 : rot 48:sc= 0.161 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0806) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 61 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.5) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 172:sc= 0.248 USER MOD Single : A 84 GLN : amide:sc=-0.00904 X(o=-0.009,f=-0.002) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 81:sc= 0.0172 USER MOD Single : A 94 THR OG1 : rot 33:sc= 0.0272 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.638) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0256) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.577 -9.803 12.730 1.00 0.00 N ATOM 2 CA SER A 2 9.314 -10.055 14.153 1.00 0.00 C ATOM 3 C SER A 2 8.673 -8.799 14.796 1.00 0.00 C ATOM 4 O SER A 2 9.349 -7.797 15.048 1.00 0.00 O ATOM 5 CB SER A 2 10.590 -10.539 14.879 1.00 0.00 C ATOM 6 OG SER A 2 11.639 -9.574 14.852 1.00 0.00 O ATOM 0 HA SER A 2 8.596 -10.868 14.255 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.346 -10.775 15.915 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.939 -11.462 14.415 1.00 0.00 H new ATOM 0 HG SER A 2 11.254 -8.674 14.808 1.00 0.00 H new ATOM 12 N PHE A 3 7.356 -8.874 15.057 1.00 0.00 N ATOM 13 CA PHE A 3 6.561 -7.720 15.570 1.00 0.00 C ATOM 14 C PHE A 3 6.705 -7.350 17.078 1.00 0.00 C ATOM 15 O PHE A 3 6.214 -6.283 17.448 1.00 0.00 O ATOM 16 CB PHE A 3 5.059 -7.927 15.209 1.00 0.00 C ATOM 17 CG PHE A 3 4.702 -7.709 13.729 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.531 -6.409 13.241 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.534 -8.794 12.863 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.207 -6.196 11.904 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.191 -8.580 11.532 1.00 0.00 C ATOM 22 CZ PHE A 3 4.039 -7.281 11.051 1.00 0.00 C ATOM 0 H PHE A 3 6.807 -9.723 14.923 1.00 0.00 H new ATOM 0 HA PHE A 3 6.997 -6.858 15.065 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.771 -8.940 15.489 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.460 -7.247 15.814 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.651 -5.566 13.905 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.671 -9.801 13.229 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.086 -5.190 11.530 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.042 -9.421 10.871 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.790 -7.117 10.013 1.00 0.00 H new ATOM 32 N SER A 4 7.359 -8.150 17.945 1.00 0.00 N ATOM 33 CA SER A 4 7.505 -7.830 19.383 1.00 0.00 C ATOM 34 C SER A 4 8.538 -6.691 19.648 1.00 0.00 C ATOM 35 O SER A 4 9.662 -6.730 19.138 1.00 0.00 O ATOM 36 CB SER A 4 7.848 -9.136 20.132 1.00 0.00 C ATOM 37 OG SER A 4 9.107 -9.681 19.744 1.00 0.00 O ATOM 0 H SER A 4 7.798 -9.029 17.673 1.00 0.00 H new ATOM 0 HA SER A 4 6.564 -7.432 19.762 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.856 -8.943 21.205 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.066 -9.872 19.946 1.00 0.00 H new ATOM 0 HG SER A 4 9.276 -10.504 20.248 1.00 0.00 H new ATOM 43 N GLY A 5 8.122 -5.682 20.430 1.00 0.00 N ATOM 44 CA GLY A 5 8.930 -4.469 20.692 1.00 0.00 C ATOM 45 C GLY A 5 8.067 -3.207 20.926 1.00 0.00 C ATOM 46 O GLY A 5 6.888 -3.145 20.559 1.00 0.00 O ATOM 0 H GLY A 5 7.217 -5.679 20.901 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.559 -4.640 21.566 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.598 -4.295 19.848 1.00 0.00 H new ATOM 50 N LYS A 6 8.705 -2.168 21.492 1.00 0.00 N ATOM 51 CA LYS A 6 8.126 -0.794 21.552 1.00 0.00 C ATOM 52 C LYS A 6 8.544 0.024 20.295 1.00 0.00 C ATOM 53 O LYS A 6 9.722 0.028 19.916 1.00 0.00 O ATOM 54 CB LYS A 6 8.457 -0.063 22.883 1.00 0.00 C ATOM 55 CG LYS A 6 9.948 0.192 23.221 1.00 0.00 C ATOM 56 CD LYS A 6 10.191 1.209 24.355 1.00 0.00 C ATOM 57 CE LYS A 6 9.954 2.677 23.941 1.00 0.00 C ATOM 58 NZ LYS A 6 10.251 3.609 25.042 1.00 0.00 N ATOM 0 H LYS A 6 9.628 -2.244 21.920 1.00 0.00 H new ATOM 0 HA LYS A 6 7.040 -0.888 21.541 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.948 0.901 22.870 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.024 -0.642 23.699 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.410 -0.756 23.497 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.454 0.544 22.322 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.536 0.968 25.192 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.216 1.103 24.711 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.580 2.918 23.082 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.918 2.804 23.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.080 4.585 24.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.637 3.395 25.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.246 3.506 25.325 1.00 0.00 H new ATOM 72 N TYR A 7 7.572 0.696 19.647 1.00 0.00 N ATOM 73 CA TYR A 7 7.807 1.385 18.348 1.00 0.00 C ATOM 74 C TYR A 7 7.266 2.833 18.480 1.00 0.00 C ATOM 75 O TYR A 7 6.061 3.079 18.370 1.00 0.00 O ATOM 76 CB TYR A 7 7.177 0.601 17.159 1.00 0.00 C ATOM 77 CG TYR A 7 7.727 -0.820 16.913 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.832 -1.031 16.080 1.00 0.00 C ATOM 79 CD2 TYR A 7 7.105 -1.921 17.513 1.00 0.00 C ATOM 80 CE1 TYR A 7 9.297 -2.323 15.841 1.00 0.00 C ATOM 81 CE2 TYR A 7 7.592 -3.206 17.299 1.00 0.00 C ATOM 82 CZ TYR A 7 8.684 -3.410 16.463 1.00 0.00 C ATOM 83 OH TYR A 7 9.162 -4.681 16.262 1.00 0.00 O ATOM 0 H TYR A 7 6.617 0.780 19.995 1.00 0.00 H new ATOM 0 HA TYR A 7 8.872 1.423 18.121 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.103 0.528 17.327 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.318 1.185 16.250 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.327 -0.188 15.620 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.242 -1.772 18.145 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.132 -2.482 15.174 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.120 -4.048 17.784 1.00 0.00 H new ATOM 0 HH TYR A 7 8.619 -5.319 16.771 1.00 0.00 H new ATOM 93 N GLN A 8 8.185 3.785 18.724 1.00 0.00 N ATOM 94 CA GLN A 8 7.859 5.224 18.907 1.00 0.00 C ATOM 95 C GLN A 8 7.582 5.903 17.537 1.00 0.00 C ATOM 96 O GLN A 8 8.387 5.788 16.608 1.00 0.00 O ATOM 97 CB GLN A 8 9.064 5.887 19.638 1.00 0.00 C ATOM 98 CG GLN A 8 8.956 7.390 19.994 1.00 0.00 C ATOM 99 CD GLN A 8 7.959 7.725 21.113 1.00 0.00 C ATOM 100 OE1 GLN A 8 8.290 7.678 22.299 1.00 0.00 O ATOM 101 NE2 GLN A 8 6.729 8.071 20.770 1.00 0.00 N ATOM 0 H GLN A 8 9.182 3.583 18.801 1.00 0.00 H new ATOM 0 HA GLN A 8 6.953 5.341 19.502 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.239 5.336 20.562 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.948 5.753 19.015 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.942 7.750 20.288 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.670 7.940 19.097 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.465 8.107 19.785 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.045 8.302 21.490 1.00 0.00 H new ATOM 110 N LEU A 9 6.467 6.652 17.450 1.00 0.00 N ATOM 111 CA LEU A 9 6.071 7.385 16.217 1.00 0.00 C ATOM 112 C LEU A 9 7.090 8.502 15.847 1.00 0.00 C ATOM 113 O LEU A 9 7.432 9.362 16.665 1.00 0.00 O ATOM 114 CB LEU A 9 4.622 7.918 16.382 1.00 0.00 C ATOM 115 CG LEU A 9 3.995 8.691 15.185 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.925 7.867 13.884 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.599 9.208 15.570 1.00 0.00 C ATOM 0 H LEU A 9 5.813 6.771 18.224 1.00 0.00 H new ATOM 0 HA LEU A 9 6.086 6.696 15.372 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.976 7.070 16.609 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.603 8.574 17.252 1.00 0.00 H new ATOM 0 HG LEU A 9 4.659 9.529 14.973 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.477 8.471 13.095 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.931 7.570 13.587 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.318 6.977 14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.166 9.748 14.728 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.958 8.366 15.829 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.682 9.878 16.426 1.00 0.00 H new ATOM 129 N GLN A 10 7.568 8.431 14.597 1.00 0.00 N ATOM 130 CA GLN A 10 8.589 9.344 14.034 1.00 0.00 C ATOM 131 C GLN A 10 7.968 10.333 13.002 1.00 0.00 C ATOM 132 O GLN A 10 8.269 11.528 13.077 1.00 0.00 O ATOM 133 CB GLN A 10 9.733 8.468 13.436 1.00 0.00 C ATOM 134 CG GLN A 10 11.102 9.165 13.264 1.00 0.00 C ATOM 135 CD GLN A 10 11.778 9.566 14.589 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.804 10.739 14.963 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.309 8.608 15.333 1.00 0.00 N ATOM 0 H GLN A 10 7.254 7.726 13.931 1.00 0.00 H new ATOM 0 HA GLN A 10 9.005 9.981 14.814 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.869 7.597 14.077 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.410 8.100 12.462 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.769 8.500 12.716 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.968 10.058 12.653 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.282 7.640 15.013 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.745 8.838 16.226 1.00 0.00 H new ATOM 146 N SER A 11 7.144 9.850 12.041 1.00 0.00 N ATOM 147 CA SER A 11 6.577 10.685 10.957 1.00 0.00 C ATOM 148 C SER A 11 5.133 10.206 10.638 1.00 0.00 C ATOM 149 O SER A 11 4.927 9.170 9.998 1.00 0.00 O ATOM 150 CB SER A 11 7.490 10.607 9.712 1.00 0.00 C ATOM 151 OG SER A 11 8.723 11.282 9.931 1.00 0.00 O ATOM 0 H SER A 11 6.855 8.873 11.996 1.00 0.00 H new ATOM 0 HA SER A 11 6.527 11.727 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.683 9.563 9.465 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.979 11.047 8.856 1.00 0.00 H new ATOM 0 HG SER A 11 9.280 11.214 9.128 1.00 0.00 H new ATOM 157 N GLN A 12 4.137 11.002 11.068 1.00 0.00 N ATOM 158 CA GLN A 12 2.703 10.800 10.715 1.00 0.00 C ATOM 159 C GLN A 12 2.342 11.685 9.488 1.00 0.00 C ATOM 160 O GLN A 12 2.243 12.913 9.595 1.00 0.00 O ATOM 161 CB GLN A 12 1.729 11.050 11.906 1.00 0.00 C ATOM 162 CG GLN A 12 2.027 12.262 12.823 1.00 0.00 C ATOM 163 CD GLN A 12 0.882 12.729 13.727 1.00 0.00 C ATOM 164 OE1 GLN A 12 0.231 13.734 13.445 1.00 0.00 O ATOM 165 NE2 GLN A 12 0.630 12.051 14.836 1.00 0.00 N ATOM 0 H GLN A 12 4.295 11.808 11.672 1.00 0.00 H new ATOM 0 HA GLN A 12 2.575 9.749 10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.725 11.172 11.501 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.716 10.153 12.525 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.880 12.012 13.454 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.330 13.100 12.195 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.176 11.219 15.060 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.110 12.361 15.466 1.00 0.00 H new ATOM 174 N GLU A 13 2.129 11.035 8.331 1.00 0.00 N ATOM 175 CA GLU A 13 1.660 11.706 7.089 1.00 0.00 C ATOM 176 C GLU A 13 0.123 11.506 6.997 1.00 0.00 C ATOM 177 O GLU A 13 -0.343 10.368 6.942 1.00 0.00 O ATOM 178 CB GLU A 13 2.364 11.106 5.842 1.00 0.00 C ATOM 179 CG GLU A 13 3.880 11.390 5.740 1.00 0.00 C ATOM 180 CD GLU A 13 4.516 10.740 4.510 1.00 0.00 C ATOM 181 OE1 GLU A 13 4.859 9.538 4.571 1.00 0.00 O ATOM 182 OE2 GLU A 13 4.674 11.425 3.475 1.00 0.00 O ATOM 0 H GLU A 13 2.274 10.031 8.222 1.00 0.00 H new ATOM 0 HA GLU A 13 1.903 12.768 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.212 10.027 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.877 11.495 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.043 12.467 5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.376 11.023 6.638 1.00 0.00 H new ATOM 189 N ASN A 14 -0.650 12.609 7.002 1.00 0.00 N ATOM 190 CA ASN A 14 -2.149 12.589 7.011 1.00 0.00 C ATOM 191 C ASN A 14 -2.777 12.010 8.322 1.00 0.00 C ATOM 192 O ASN A 14 -3.505 11.013 8.288 1.00 0.00 O ATOM 193 CB ASN A 14 -2.796 11.990 5.719 1.00 0.00 C ATOM 194 CG ASN A 14 -2.549 12.766 4.412 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.870 13.949 4.299 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.002 12.120 3.394 1.00 0.00 N ATOM 0 H ASN A 14 -0.261 13.552 7.000 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.413 13.646 7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.424 10.974 5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.872 11.918 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.844 12.603 2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.738 11.140 3.494 1.00 0.00 H new ATOM 203 N PHE A 15 -2.537 12.682 9.466 1.00 0.00 N ATOM 204 CA PHE A 15 -3.277 12.425 10.738 1.00 0.00 C ATOM 205 C PHE A 15 -4.577 13.284 10.825 1.00 0.00 C ATOM 206 O PHE A 15 -5.638 12.718 11.092 1.00 0.00 O ATOM 207 CB PHE A 15 -2.321 12.592 11.954 1.00 0.00 C ATOM 208 CG PHE A 15 -2.872 12.129 13.323 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.680 12.976 14.093 1.00 0.00 C ATOM 210 CD2 PHE A 15 -2.547 10.862 13.819 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.173 12.549 15.325 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.031 10.442 15.055 1.00 0.00 C ATOM 213 CZ PHE A 15 -3.848 11.283 15.804 1.00 0.00 C ATOM 0 H PHE A 15 -1.832 13.415 9.544 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.622 11.391 10.756 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.405 12.039 11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.047 13.644 12.033 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.922 13.964 13.730 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.916 10.205 13.239 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.807 13.200 15.908 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.772 9.464 15.432 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.231 10.953 16.759 1.00 0.00 H new ATOM 223 N GLU A 16 -4.518 14.616 10.600 1.00 0.00 N ATOM 224 CA GLU A 16 -5.728 15.494 10.552 1.00 0.00 C ATOM 225 C GLU A 16 -6.768 15.137 9.440 1.00 0.00 C ATOM 226 O GLU A 16 -7.965 15.098 9.739 1.00 0.00 O ATOM 227 CB GLU A 16 -5.327 16.993 10.473 1.00 0.00 C ATOM 228 CG GLU A 16 -4.623 17.551 11.732 1.00 0.00 C ATOM 229 CD GLU A 16 -4.297 19.042 11.623 1.00 0.00 C ATOM 230 OE1 GLU A 16 -5.163 19.877 11.972 1.00 0.00 O ATOM 231 OE2 GLU A 16 -3.173 19.388 11.198 1.00 0.00 O ATOM 0 H GLU A 16 -3.643 15.117 10.447 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.246 15.301 11.492 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.668 17.132 9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.224 17.584 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.260 17.387 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.701 16.995 11.903 1.00 0.00 H new ATOM 238 N ALA A 17 -6.325 14.850 8.196 1.00 0.00 N ATOM 239 CA ALA A 17 -7.212 14.350 7.109 1.00 0.00 C ATOM 240 C ALA A 17 -7.888 12.967 7.356 1.00 0.00 C ATOM 241 O ALA A 17 -9.088 12.838 7.103 1.00 0.00 O ATOM 242 CB ALA A 17 -6.420 14.347 5.786 1.00 0.00 C ATOM 0 H ALA A 17 -5.351 14.956 7.913 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.055 15.040 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.058 13.983 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.090 15.360 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.551 13.696 5.883 1.00 0.00 H new ATOM 248 N PHE A 18 -7.144 11.959 7.856 1.00 0.00 N ATOM 249 CA PHE A 18 -7.695 10.613 8.181 1.00 0.00 C ATOM 250 C PHE A 18 -8.649 10.595 9.412 1.00 0.00 C ATOM 251 O PHE A 18 -9.741 10.029 9.308 1.00 0.00 O ATOM 252 CB PHE A 18 -6.500 9.627 8.316 1.00 0.00 C ATOM 253 CG PHE A 18 -6.871 8.146 8.513 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.134 7.318 7.416 1.00 0.00 C ATOM 255 CD2 PHE A 18 -6.954 7.618 9.807 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.481 5.984 7.613 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.304 6.286 10.002 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.568 5.471 8.905 1.00 0.00 C ATOM 0 H PHE A 18 -6.146 12.048 8.048 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.345 10.294 7.366 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.882 9.711 7.422 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.886 9.943 9.159 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.068 7.715 6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.745 8.248 10.659 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.683 5.347 6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.371 5.885 11.003 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.841 4.437 9.056 1.00 0.00 H new ATOM 268 N MET A 19 -8.232 11.172 10.557 1.00 0.00 N ATOM 269 CA MET A 19 -9.028 11.157 11.816 1.00 0.00 C ATOM 270 C MET A 19 -10.344 11.996 11.782 1.00 0.00 C ATOM 271 O MET A 19 -11.344 11.552 12.353 1.00 0.00 O ATOM 272 CB MET A 19 -8.161 11.532 13.045 1.00 0.00 C ATOM 273 CG MET A 19 -6.947 10.628 13.334 1.00 0.00 C ATOM 274 SD MET A 19 -7.442 8.900 13.505 1.00 0.00 S ATOM 275 CE MET A 19 -5.818 8.117 13.593 1.00 0.00 C ATOM 0 H MET A 19 -7.341 11.660 10.642 1.00 0.00 H new ATOM 0 HA MET A 19 -9.357 10.122 11.913 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.802 12.552 12.910 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.802 11.534 13.927 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.220 10.722 12.527 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.453 10.959 14.248 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.939 7.039 13.701 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.261 8.330 12.680 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.271 8.508 14.451 1.00 0.00 H new ATOM 285 N LYS A 20 -10.368 13.164 11.103 1.00 0.00 N ATOM 286 CA LYS A 20 -11.625 13.928 10.852 1.00 0.00 C ATOM 287 C LYS A 20 -12.583 13.286 9.794 1.00 0.00 C ATOM 288 O LYS A 20 -13.802 13.379 9.969 1.00 0.00 O ATOM 289 CB LYS A 20 -11.267 15.404 10.517 1.00 0.00 C ATOM 290 CG LYS A 20 -12.378 16.421 10.861 1.00 0.00 C ATOM 291 CD LYS A 20 -11.918 17.885 10.712 1.00 0.00 C ATOM 292 CE LYS A 20 -13.004 18.893 11.125 1.00 0.00 C ATOM 293 NZ LYS A 20 -12.532 20.282 10.976 1.00 0.00 N ATOM 0 H LYS A 20 -9.533 13.604 10.716 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.210 13.894 11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.360 15.677 11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.039 15.478 9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.236 16.247 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.713 16.253 11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.028 18.046 11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.633 18.068 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.894 18.742 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.294 18.714 12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.198 20.927 11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.592 20.378 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.473 20.522 9.966 1.00 0.00 H new ATOM 307 N ALA A 21 -12.059 12.623 8.736 1.00 0.00 N ATOM 308 CA ALA A 21 -12.876 11.832 7.772 1.00 0.00 C ATOM 309 C ALA A 21 -13.632 10.601 8.356 1.00 0.00 C ATOM 310 O ALA A 21 -14.805 10.410 8.019 1.00 0.00 O ATOM 311 CB ALA A 21 -11.991 11.409 6.584 1.00 0.00 C ATOM 0 H ALA A 21 -11.061 12.618 8.523 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.676 12.502 7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.584 10.830 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.599 12.297 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.163 10.800 6.946 1.00 0.00 H new ATOM 317 N ILE A 22 -12.997 9.801 9.240 1.00 0.00 N ATOM 318 CA ILE A 22 -13.695 8.741 10.036 1.00 0.00 C ATOM 319 C ILE A 22 -14.762 9.295 11.047 1.00 0.00 C ATOM 320 O ILE A 22 -15.841 8.704 11.151 1.00 0.00 O ATOM 321 CB ILE A 22 -12.697 7.710 10.681 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.746 8.317 11.753 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.905 6.931 9.601 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.823 7.345 12.504 1.00 0.00 C ATOM 0 H ILE A 22 -11.996 9.862 9.428 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.281 8.178 9.309 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.329 7.007 11.223 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.122 9.067 11.266 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.357 8.840 12.489 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.226 6.228 10.084 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.600 6.384 8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.331 7.632 8.994 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.216 7.899 13.219 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.425 6.607 13.034 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.172 6.838 11.792 1.00 0.00 H new ATOM 336 N GLY A 23 -14.472 10.408 11.756 1.00 0.00 N ATOM 337 CA GLY A 23 -15.456 11.120 12.606 1.00 0.00 C ATOM 338 C GLY A 23 -14.974 11.407 14.044 1.00 0.00 C ATOM 339 O GLY A 23 -15.608 10.950 14.999 1.00 0.00 O ATOM 0 H GLY A 23 -13.548 10.840 11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.713 12.065 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.370 10.528 12.654 1.00 0.00 H new ATOM 343 N LEU A 24 -13.893 12.195 14.183 1.00 0.00 N ATOM 344 CA LEU A 24 -13.434 12.751 15.488 1.00 0.00 C ATOM 345 C LEU A 24 -13.571 14.317 15.464 1.00 0.00 C ATOM 346 O LEU A 24 -13.405 14.918 14.394 1.00 0.00 O ATOM 347 CB LEU A 24 -11.948 12.364 15.779 1.00 0.00 C ATOM 348 CG LEU A 24 -11.606 10.968 16.366 1.00 0.00 C ATOM 349 CD1 LEU A 24 -12.185 10.738 17.776 1.00 0.00 C ATOM 350 CD2 LEU A 24 -11.929 9.796 15.428 1.00 0.00 C ATOM 0 H LEU A 24 -13.305 12.471 13.397 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.057 12.330 16.277 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.398 12.465 14.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.548 13.110 16.465 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.521 10.986 16.466 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.908 9.743 18.125 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.786 11.487 18.460 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.271 10.821 17.741 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.661 8.857 15.913 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.995 9.795 15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.361 9.902 14.504 1.00 0.00 H new ATOM 362 N PRO A 25 -13.798 15.037 16.608 1.00 0.00 N ATOM 363 CA PRO A 25 -13.745 16.527 16.651 1.00 0.00 C ATOM 364 C PRO A 25 -12.318 17.108 16.422 1.00 0.00 C ATOM 365 O PRO A 25 -11.318 16.407 16.607 1.00 0.00 O ATOM 366 CB PRO A 25 -14.271 16.824 18.072 1.00 0.00 C ATOM 367 CG PRO A 25 -13.896 15.603 18.913 1.00 0.00 C ATOM 368 CD PRO A 25 -14.011 14.431 17.940 1.00 0.00 C ATOM 0 HA PRO A 25 -14.324 16.992 15.853 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.820 17.731 18.475 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.350 16.980 18.066 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.886 15.690 19.314 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.568 15.483 19.763 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.266 13.664 18.152 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.988 13.953 18.007 1.00 0.00 H new ATOM 376 N GLU A 26 -12.230 18.412 16.084 1.00 0.00 N ATOM 377 CA GLU A 26 -10.919 19.131 16.022 1.00 0.00 C ATOM 378 C GLU A 26 -10.469 19.668 17.429 1.00 0.00 C ATOM 379 O GLU A 26 -10.143 20.844 17.620 1.00 0.00 O ATOM 380 CB GLU A 26 -11.004 20.199 14.894 1.00 0.00 C ATOM 381 CG GLU A 26 -9.631 20.721 14.417 1.00 0.00 C ATOM 382 CD GLU A 26 -9.729 21.724 13.266 1.00 0.00 C ATOM 383 OE1 GLU A 26 -10.002 22.918 13.524 1.00 0.00 O ATOM 384 OE2 GLU A 26 -9.527 21.325 12.097 1.00 0.00 O ATOM 0 H GLU A 26 -13.036 18.992 15.850 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.113 18.446 15.758 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.534 19.772 14.043 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.598 21.041 15.249 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.118 21.191 15.256 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.019 19.876 14.102 1.00 0.00 H new ATOM 391 N GLU A 27 -10.430 18.735 18.395 1.00 0.00 N ATOM 392 CA GLU A 27 -10.030 18.955 19.802 1.00 0.00 C ATOM 393 C GLU A 27 -9.244 17.695 20.291 1.00 0.00 C ATOM 394 O GLU A 27 -8.085 17.830 20.696 1.00 0.00 O ATOM 395 CB GLU A 27 -11.299 19.291 20.644 1.00 0.00 C ATOM 396 CG GLU A 27 -11.031 20.057 21.950 1.00 0.00 C ATOM 397 CD GLU A 27 -10.345 19.252 23.058 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.994 18.361 23.650 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.151 19.503 23.335 1.00 0.00 O ATOM 0 H GLU A 27 -10.687 17.765 18.213 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.360 19.807 19.916 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.979 19.880 20.029 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.813 18.360 20.886 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.414 20.926 21.721 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.980 20.432 22.332 1.00 0.00 H new ATOM 406 N LEU A 28 -9.845 16.480 20.224 1.00 0.00 N ATOM 407 CA LEU A 28 -9.128 15.185 20.432 1.00 0.00 C ATOM 408 C LEU A 28 -8.046 14.856 19.352 1.00 0.00 C ATOM 409 O LEU A 28 -6.957 14.411 19.725 1.00 0.00 O ATOM 410 CB LEU A 28 -10.144 14.010 20.552 1.00 0.00 C ATOM 411 CG LEU A 28 -11.165 14.056 21.727 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.228 12.953 21.566 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.497 13.947 23.114 1.00 0.00 C ATOM 0 H LEU A 28 -10.839 16.365 20.025 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.582 15.307 21.367 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.707 13.956 19.620 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.577 13.083 20.636 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.643 15.035 21.679 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.932 13.002 22.397 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.763 13.098 20.628 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.742 11.977 21.559 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.261 13.985 23.890 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.956 13.003 23.184 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.801 14.775 23.249 1.00 0.00 H new ATOM 425 N ILE A 29 -8.308 15.119 18.049 1.00 0.00 N ATOM 426 CA ILE A 29 -7.267 15.132 16.965 1.00 0.00 C ATOM 427 C ILE A 29 -6.029 16.037 17.302 1.00 0.00 C ATOM 428 O ILE A 29 -4.896 15.601 17.086 1.00 0.00 O ATOM 429 CB ILE A 29 -7.890 15.514 15.567 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.099 14.625 15.146 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.848 15.510 14.413 1.00 0.00 C ATOM 432 CD1 ILE A 29 -9.931 15.162 13.972 1.00 0.00 C ATOM 0 H ILE A 29 -9.246 15.330 17.708 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.890 14.111 16.902 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.251 16.530 15.724 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.727 13.635 14.883 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.755 14.500 16.008 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.339 15.781 13.478 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.061 16.231 14.631 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.413 14.515 14.319 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.747 14.471 13.758 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.341 16.138 14.233 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.297 15.259 13.091 1.00 0.00 H new ATOM 444 N GLN A 30 -6.244 17.269 17.810 1.00 0.00 N ATOM 445 CA GLN A 30 -5.149 18.200 18.205 1.00 0.00 C ATOM 446 C GLN A 30 -4.212 17.711 19.356 1.00 0.00 C ATOM 447 O GLN A 30 -3.016 18.020 19.320 1.00 0.00 O ATOM 448 CB GLN A 30 -5.715 19.610 18.552 1.00 0.00 C ATOM 449 CG GLN A 30 -6.697 20.286 17.563 1.00 0.00 C ATOM 450 CD GLN A 30 -6.125 20.649 16.184 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.546 21.717 15.997 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.287 19.785 15.192 1.00 0.00 N ATOM 0 H GLN A 30 -7.177 17.652 17.960 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.514 18.242 17.320 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.218 19.535 19.516 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.867 20.282 18.686 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.549 19.621 17.417 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.079 21.196 18.026 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.769 18.902 15.359 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.930 20.003 14.262 1.00 0.00 H new ATOM 461 N LYS A 31 -4.719 16.928 20.335 1.00 0.00 N ATOM 462 CA LYS A 31 -3.863 16.181 21.299 1.00 0.00 C ATOM 463 C LYS A 31 -2.947 15.108 20.630 1.00 0.00 C ATOM 464 O LYS A 31 -1.743 15.112 20.889 1.00 0.00 O ATOM 465 CB LYS A 31 -4.696 15.513 22.430 1.00 0.00 C ATOM 466 CG LYS A 31 -5.527 16.442 23.339 1.00 0.00 C ATOM 467 CD LYS A 31 -6.093 15.688 24.563 1.00 0.00 C ATOM 468 CE LYS A 31 -6.949 16.540 25.516 1.00 0.00 C ATOM 469 NZ LYS A 31 -8.301 16.803 24.988 1.00 0.00 N ATOM 0 H LYS A 31 -5.719 16.793 20.483 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.214 16.943 21.731 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.375 14.795 21.970 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.013 14.945 23.062 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.905 17.271 23.678 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.348 16.873 22.766 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.695 14.852 24.208 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.261 15.265 25.126 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.031 16.031 26.476 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.445 17.489 25.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.834 17.380 25.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.228 17.313 24.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.796 15.901 24.837 1.00 0.00 H new ATOM 483 N GLY A 32 -3.503 14.212 19.789 1.00 0.00 N ATOM 484 CA GLY A 32 -2.714 13.155 19.106 1.00 0.00 C ATOM 485 C GLY A 32 -1.772 13.560 17.947 1.00 0.00 C ATOM 486 O GLY A 32 -0.821 12.819 17.686 1.00 0.00 O ATOM 0 H GLY A 32 -4.498 14.196 19.563 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.110 12.653 19.862 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.417 12.417 18.718 1.00 0.00 H new ATOM 490 N LYS A 33 -2.005 14.705 17.272 1.00 0.00 N ATOM 491 CA LYS A 33 -1.051 15.262 16.273 1.00 0.00 C ATOM 492 C LYS A 33 0.308 15.747 16.881 1.00 0.00 C ATOM 493 O LYS A 33 1.371 15.387 16.367 1.00 0.00 O ATOM 494 CB LYS A 33 -1.737 16.282 15.321 1.00 0.00 C ATOM 495 CG LYS A 33 -1.924 17.720 15.848 1.00 0.00 C ATOM 496 CD LYS A 33 -2.663 18.643 14.860 1.00 0.00 C ATOM 497 CE LYS A 33 -2.704 20.125 15.280 1.00 0.00 C ATOM 498 NZ LYS A 33 -1.393 20.798 15.213 1.00 0.00 N ATOM 0 H LYS A 33 -2.846 15.268 17.397 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.749 14.426 15.642 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.153 16.332 14.402 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.718 15.889 15.055 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.478 17.686 16.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.946 18.147 16.071 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.183 18.568 13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.685 18.283 14.741 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.408 20.656 14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.086 20.194 16.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.496 21.790 15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.723 20.316 15.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.034 20.763 14.237 1.00 0.00 H new ATOM 512 N ASP A 34 0.250 16.537 17.973 1.00 0.00 N ATOM 513 CA ASP A 34 1.445 17.023 18.716 1.00 0.00 C ATOM 514 C ASP A 34 2.097 15.933 19.623 1.00 0.00 C ATOM 515 O ASP A 34 3.325 15.807 19.610 1.00 0.00 O ATOM 516 CB ASP A 34 1.078 18.284 19.550 1.00 0.00 C ATOM 517 CG ASP A 34 0.667 19.524 18.737 1.00 0.00 C ATOM 518 OD1 ASP A 34 1.558 20.278 18.290 1.00 0.00 O ATOM 519 OD2 ASP A 34 -0.550 19.741 18.539 1.00 0.00 O ATOM 0 H ASP A 34 -0.631 16.861 18.372 1.00 0.00 H new ATOM 0 HA ASP A 34 2.195 17.282 17.969 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.261 18.026 20.224 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.933 18.547 20.172 1.00 0.00 H new ATOM 524 N ILE A 35 1.297 15.155 20.388 1.00 0.00 N ATOM 525 CA ILE A 35 1.802 14.059 21.262 1.00 0.00 C ATOM 526 C ILE A 35 1.925 12.797 20.350 1.00 0.00 C ATOM 527 O ILE A 35 0.928 12.135 20.044 1.00 0.00 O ATOM 528 CB ILE A 35 0.889 13.811 22.523 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.544 15.099 23.337 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.524 12.749 23.462 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.564 14.954 24.395 1.00 0.00 C ATOM 0 H ILE A 35 0.283 15.265 20.420 1.00 0.00 H new ATOM 0 HA ILE A 35 2.769 14.324 21.689 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.056 13.444 22.122 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.451 15.444 23.834 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.249 15.879 22.636 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.877 12.594 24.326 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.641 11.809 22.922 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.500 13.098 23.798 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.717 15.910 24.896 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.491 14.646 23.911 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.270 14.203 25.129 1.00 0.00 H new ATOM 543 N LYS A 36 3.168 12.488 19.932 1.00 0.00 N ATOM 544 CA LYS A 36 3.467 11.323 19.060 1.00 0.00 C ATOM 545 C LYS A 36 3.524 10.018 19.905 1.00 0.00 C ATOM 546 O LYS A 36 4.256 9.948 20.900 1.00 0.00 O ATOM 547 CB LYS A 36 4.723 11.599 18.181 1.00 0.00 C ATOM 548 CG LYS A 36 6.149 11.514 18.781 1.00 0.00 C ATOM 549 CD LYS A 36 6.489 12.535 19.889 1.00 0.00 C ATOM 550 CE LYS A 36 7.957 12.501 20.360 1.00 0.00 C ATOM 551 NZ LYS A 36 8.894 13.096 19.385 1.00 0.00 N ATOM 0 H LYS A 36 3.993 13.032 20.185 1.00 0.00 H new ATOM 0 HA LYS A 36 2.658 11.168 18.346 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.687 10.902 17.344 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.610 12.601 17.767 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.291 10.512 19.185 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.868 11.636 17.971 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.260 13.537 19.525 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.841 12.351 20.746 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.041 13.034 21.307 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.247 11.468 20.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.863 13.043 19.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.840 12.573 18.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.640 14.091 19.222 1.00 0.00 H new ATOM 565 N GLY A 37 2.700 9.021 19.541 1.00 0.00 N ATOM 566 CA GLY A 37 2.422 7.866 20.422 1.00 0.00 C ATOM 567 C GLY A 37 3.307 6.623 20.216 1.00 0.00 C ATOM 568 O GLY A 37 3.783 6.344 19.112 1.00 0.00 O ATOM 0 H GLY A 37 2.214 8.988 18.645 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.526 8.192 21.457 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.382 7.572 20.283 1.00 0.00 H new ATOM 572 N VAL A 38 3.459 5.843 21.300 1.00 0.00 N ATOM 573 CA VAL A 38 4.180 4.538 21.269 1.00 0.00 C ATOM 574 C VAL A 38 3.140 3.442 20.886 1.00 0.00 C ATOM 575 O VAL A 38 2.176 3.200 21.621 1.00 0.00 O ATOM 576 CB VAL A 38 4.907 4.220 22.625 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.662 2.865 22.606 1.00 0.00 C ATOM 578 CG2 VAL A 38 5.928 5.297 23.056 1.00 0.00 C ATOM 0 H VAL A 38 3.093 6.088 22.220 1.00 0.00 H new ATOM 0 HA VAL A 38 4.979 4.573 20.528 1.00 0.00 H new ATOM 0 HB VAL A 38 4.085 4.189 23.341 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.143 2.703 23.571 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.956 2.058 22.413 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.419 2.881 21.821 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.387 5.006 24.000 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.699 5.394 22.292 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.418 6.253 23.180 1.00 0.00 H new ATOM 588 N SER A 39 3.401 2.756 19.761 1.00 0.00 N ATOM 589 CA SER A 39 2.694 1.507 19.387 1.00 0.00 C ATOM 590 C SER A 39 3.515 0.305 19.920 1.00 0.00 C ATOM 591 O SER A 39 4.493 -0.122 19.298 1.00 0.00 O ATOM 592 CB SER A 39 2.525 1.479 17.855 1.00 0.00 C ATOM 593 OG SER A 39 1.788 0.331 17.445 1.00 0.00 O ATOM 0 H SER A 39 4.105 3.046 19.083 1.00 0.00 H new ATOM 0 HA SER A 39 1.699 1.453 19.828 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.012 2.382 17.525 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.505 1.477 17.377 1.00 0.00 H new ATOM 0 HG SER A 39 1.692 0.335 16.470 1.00 0.00 H new ATOM 599 N GLU A 40 3.107 -0.214 21.091 1.00 0.00 N ATOM 600 CA GLU A 40 3.829 -1.319 21.773 1.00 0.00 C ATOM 601 C GLU A 40 3.175 -2.668 21.373 1.00 0.00 C ATOM 602 O GLU A 40 2.227 -3.131 22.016 1.00 0.00 O ATOM 603 CB GLU A 40 3.871 -1.050 23.300 1.00 0.00 C ATOM 604 CG GLU A 40 4.794 -2.013 24.078 1.00 0.00 C ATOM 605 CD GLU A 40 4.878 -1.676 25.566 1.00 0.00 C ATOM 606 OE1 GLU A 40 4.047 -2.187 26.349 1.00 0.00 O ATOM 607 OE2 GLU A 40 5.776 -0.899 25.960 1.00 0.00 O ATOM 0 H GLU A 40 2.280 0.110 21.591 1.00 0.00 H new ATOM 0 HA GLU A 40 4.870 -1.375 21.456 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.204 -0.026 23.470 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.860 -1.127 23.701 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.429 -3.033 23.961 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.794 -1.980 23.645 1.00 0.00 H new ATOM 614 N ILE A 41 3.709 -3.277 20.300 1.00 0.00 N ATOM 615 CA ILE A 41 3.178 -4.544 19.727 1.00 0.00 C ATOM 616 C ILE A 41 3.913 -5.710 20.454 1.00 0.00 C ATOM 617 O ILE A 41 5.141 -5.695 20.572 1.00 0.00 O ATOM 618 CB ILE A 41 3.346 -4.622 18.167 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.896 -3.363 17.366 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.635 -5.879 17.590 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.522 -3.260 15.970 1.00 0.00 C ATOM 0 H ILE A 41 4.520 -2.912 19.800 1.00 0.00 H new ATOM 0 HA ILE A 41 2.102 -4.605 19.890 1.00 0.00 H new ATOM 0 HB ILE A 41 4.426 -4.684 18.030 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.811 -3.376 17.267 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.153 -2.470 17.936 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.767 -5.908 16.508 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.067 -6.777 18.032 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.571 -5.835 17.824 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.161 -2.359 15.475 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.607 -3.214 16.060 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.244 -4.134 15.381 1.00 0.00 H new ATOM 633 N VAL A 42 3.154 -6.709 20.928 1.00 0.00 N ATOM 634 CA VAL A 42 3.720 -7.915 21.595 1.00 0.00 C ATOM 635 C VAL A 42 3.040 -9.131 20.903 1.00 0.00 C ATOM 636 O VAL A 42 1.870 -9.428 21.175 1.00 0.00 O ATOM 637 CB VAL A 42 3.525 -7.878 23.154 1.00 0.00 C ATOM 638 CG1 VAL A 42 4.078 -9.142 23.858 1.00 0.00 C ATOM 639 CG2 VAL A 42 4.163 -6.639 23.833 1.00 0.00 C ATOM 0 H VAL A 42 2.136 -6.715 20.866 1.00 0.00 H new ATOM 0 HA VAL A 42 4.802 -7.974 21.481 1.00 0.00 H new ATOM 0 HB VAL A 42 2.443 -7.829 23.275 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.916 -9.060 24.933 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.562 -10.024 23.479 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.146 -9.232 23.658 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.988 -6.683 24.908 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.236 -6.631 23.640 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.715 -5.731 23.429 1.00 0.00 H new ATOM 649 N GLN A 43 3.794 -9.849 20.044 1.00 0.00 N ATOM 650 CA GLN A 43 3.349 -11.154 19.484 1.00 0.00 C ATOM 651 C GLN A 43 3.707 -12.325 20.444 1.00 0.00 C ATOM 652 O GLN A 43 4.777 -12.345 21.065 1.00 0.00 O ATOM 653 CB GLN A 43 3.857 -11.385 18.035 1.00 0.00 C ATOM 654 CG GLN A 43 5.369 -11.608 17.795 1.00 0.00 C ATOM 655 CD GLN A 43 5.683 -12.057 16.354 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.360 -11.382 15.377 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.316 -13.207 16.183 1.00 0.00 N ATOM 0 H GLN A 43 4.714 -9.552 19.720 1.00 0.00 H new ATOM 0 HA GLN A 43 2.262 -11.123 19.408 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.330 -12.251 17.636 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.553 -10.524 17.439 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.907 -10.684 18.009 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.737 -12.360 18.494 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.584 -13.767 16.992 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.536 -13.533 15.242 1.00 0.00 H new ATOM 666 N ASN A 44 2.791 -13.302 20.532 1.00 0.00 N ATOM 667 CA ASN A 44 2.985 -14.532 21.340 1.00 0.00 C ATOM 668 C ASN A 44 2.393 -15.729 20.544 1.00 0.00 C ATOM 669 O ASN A 44 1.280 -16.189 20.824 1.00 0.00 O ATOM 670 CB ASN A 44 2.362 -14.318 22.752 1.00 0.00 C ATOM 671 CG ASN A 44 2.652 -15.404 23.810 1.00 0.00 C ATOM 672 OD1 ASN A 44 3.462 -16.314 23.631 1.00 0.00 O ATOM 673 ND2 ASN A 44 1.991 -15.311 24.953 1.00 0.00 N ATOM 0 H ASN A 44 1.894 -13.269 20.048 1.00 0.00 H new ATOM 0 HA ASN A 44 4.037 -14.758 21.513 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.717 -13.363 23.139 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.281 -14.234 22.638 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.151 -15.996 25.692 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.321 -14.555 25.095 1.00 0.00 H new ATOM 680 N GLY A 45 3.142 -16.212 19.529 1.00 0.00 N ATOM 681 CA GLY A 45 2.657 -17.253 18.593 1.00 0.00 C ATOM 682 C GLY A 45 1.587 -16.715 17.619 1.00 0.00 C ATOM 683 O GLY A 45 1.878 -15.847 16.789 1.00 0.00 O ATOM 0 H GLY A 45 4.092 -15.895 19.335 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.499 -17.646 18.023 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.241 -18.085 19.162 1.00 0.00 H new ATOM 687 N LYS A 46 0.349 -17.206 17.783 1.00 0.00 N ATOM 688 CA LYS A 46 -0.854 -16.603 17.142 1.00 0.00 C ATOM 689 C LYS A 46 -1.532 -15.425 17.919 1.00 0.00 C ATOM 690 O LYS A 46 -2.247 -14.653 17.278 1.00 0.00 O ATOM 691 CB LYS A 46 -1.876 -17.701 16.735 1.00 0.00 C ATOM 692 CG LYS A 46 -2.572 -18.485 17.872 1.00 0.00 C ATOM 693 CD LYS A 46 -3.630 -19.478 17.351 1.00 0.00 C ATOM 694 CE LYS A 46 -4.377 -20.194 18.489 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.367 -21.153 17.968 1.00 0.00 N ATOM 0 H LYS A 46 0.143 -18.024 18.356 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.471 -16.118 16.244 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.650 -17.232 16.127 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.362 -18.420 16.097 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.821 -19.029 18.445 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.046 -17.781 18.555 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.348 -18.945 16.728 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.146 -20.220 16.716 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.661 -20.717 19.122 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.878 -19.457 19.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.852 -21.617 18.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.064 -20.649 17.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.885 -21.870 17.390 1.00 0.00 H new ATOM 709 N HIS A 47 -1.353 -15.277 19.252 1.00 0.00 N ATOM 710 CA HIS A 47 -2.063 -14.253 20.067 1.00 0.00 C ATOM 711 C HIS A 47 -1.248 -12.930 20.090 1.00 0.00 C ATOM 712 O HIS A 47 -0.287 -12.776 20.850 1.00 0.00 O ATOM 713 CB HIS A 47 -2.326 -14.791 21.502 1.00 0.00 C ATOM 714 CG HIS A 47 -3.410 -15.870 21.601 1.00 0.00 C ATOM 715 ND1 HIS A 47 -3.179 -17.231 21.503 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.785 -15.631 21.775 1.00 0.00 C ATOM 717 CE1 HIS A 47 -4.462 -17.695 21.613 1.00 0.00 C ATOM 718 NE2 HIS A 47 -5.506 -16.818 21.781 1.00 0.00 N ATOM 0 H HIS A 47 -0.716 -15.860 19.795 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.031 -14.041 19.613 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.395 -15.196 21.898 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.608 -13.954 22.141 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.224 -14.651 21.889 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.655 -18.757 21.567 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.507 -16.987 21.880 1.00 0.00 H new ATOM 726 N PHE A 48 -1.669 -11.981 19.238 1.00 0.00 N ATOM 727 CA PHE A 48 -1.047 -10.633 19.128 1.00 0.00 C ATOM 728 C PHE A 48 -1.860 -9.588 19.946 1.00 0.00 C ATOM 729 O PHE A 48 -3.085 -9.670 20.078 1.00 0.00 O ATOM 730 CB PHE A 48 -0.967 -10.180 17.641 1.00 0.00 C ATOM 731 CG PHE A 48 0.110 -10.786 16.715 1.00 0.00 C ATOM 732 CD1 PHE A 48 0.106 -12.146 16.381 1.00 0.00 C ATOM 733 CD2 PHE A 48 1.022 -9.934 16.076 1.00 0.00 C ATOM 734 CE1 PHE A 48 1.005 -12.647 15.442 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.903 -10.432 15.122 1.00 0.00 C ATOM 736 CZ PHE A 48 1.902 -11.789 14.813 1.00 0.00 C ATOM 0 H PHE A 48 -2.453 -12.119 18.600 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.037 -10.698 19.532 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.937 -10.380 17.187 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.830 -9.099 17.637 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.600 -12.812 16.855 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.040 -8.884 16.326 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.006 -13.700 15.203 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.589 -9.765 14.620 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.598 -12.177 14.084 1.00 0.00 H new ATOM 746 N LYS A 49 -1.146 -8.566 20.442 1.00 0.00 N ATOM 747 CA LYS A 49 -1.755 -7.329 21.007 1.00 0.00 C ATOM 748 C LYS A 49 -0.945 -6.079 20.557 1.00 0.00 C ATOM 749 O LYS A 49 0.248 -6.178 20.254 1.00 0.00 O ATOM 750 CB LYS A 49 -1.909 -7.413 22.555 1.00 0.00 C ATOM 751 CG LYS A 49 -0.607 -7.491 23.391 1.00 0.00 C ATOM 752 CD LYS A 49 -0.851 -7.336 24.903 1.00 0.00 C ATOM 753 CE LYS A 49 0.455 -7.387 25.717 1.00 0.00 C ATOM 754 NZ LYS A 49 0.205 -7.182 27.155 1.00 0.00 N ATOM 0 H LYS A 49 -0.126 -8.564 20.467 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.766 -7.231 20.611 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.472 -6.541 22.887 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.513 -8.290 22.788 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.119 -8.447 23.204 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.079 -6.712 23.058 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.356 -6.389 25.091 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.519 -8.127 25.243 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.942 -8.350 25.565 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.141 -6.622 25.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.106 -7.222 27.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.237 -6.252 27.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.430 -7.927 27.507 1.00 0.00 H new ATOM 768 N PHE A 50 -1.578 -4.886 20.563 1.00 0.00 N ATOM 769 CA PHE A 50 -0.859 -3.600 20.372 1.00 0.00 C ATOM 770 C PHE A 50 -1.579 -2.437 21.103 1.00 0.00 C ATOM 771 O PHE A 50 -2.787 -2.236 20.937 1.00 0.00 O ATOM 772 CB PHE A 50 -0.536 -3.278 18.889 1.00 0.00 C ATOM 773 CG PHE A 50 -1.663 -2.882 17.917 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.571 -3.840 17.461 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.727 -1.582 17.407 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.508 -3.512 16.485 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.675 -1.250 16.442 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.560 -2.218 15.975 1.00 0.00 C ATOM 0 H PHE A 50 -2.584 -4.783 20.698 1.00 0.00 H new ATOM 0 HA PHE A 50 0.117 -3.721 20.842 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.192 -2.467 18.886 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.040 -4.153 18.469 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.546 -4.840 17.867 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.038 -0.831 17.763 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.195 -4.262 16.123 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.723 -0.242 16.056 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.287 -1.965 15.217 1.00 0.00 H new ATOM 788 N THR A 51 -0.803 -1.664 21.888 1.00 0.00 N ATOM 789 CA THR A 51 -1.338 -0.556 22.722 1.00 0.00 C ATOM 790 C THR A 51 -0.939 0.787 22.047 1.00 0.00 C ATOM 791 O THR A 51 0.236 1.168 22.055 1.00 0.00 O ATOM 792 CB THR A 51 -0.831 -0.658 24.196 1.00 0.00 C ATOM 793 OG1 THR A 51 -0.912 -1.994 24.687 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.644 0.220 25.164 1.00 0.00 C ATOM 0 H THR A 51 0.207 -1.784 21.966 1.00 0.00 H new ATOM 0 HA THR A 51 -2.425 -0.617 22.781 1.00 0.00 H new ATOM 0 HB THR A 51 0.203 -0.315 24.162 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.586 -2.023 25.611 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.249 0.111 26.174 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.571 1.263 24.857 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.688 -0.091 25.148 1.00 0.00 H new ATOM 802 N ILE A 52 -1.935 1.504 21.492 1.00 0.00 N ATOM 803 CA ILE A 52 -1.744 2.865 20.912 1.00 0.00 C ATOM 804 C ILE A 52 -1.945 3.885 22.072 1.00 0.00 C ATOM 805 O ILE A 52 -3.037 3.973 22.641 1.00 0.00 O ATOM 806 CB ILE A 52 -2.716 3.107 19.697 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.537 2.118 18.505 1.00 0.00 C ATOM 808 CG2 ILE A 52 -2.698 4.565 19.164 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.177 2.144 17.783 1.00 0.00 C ATOM 0 H ILE A 52 -2.895 1.165 21.429 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.743 2.984 20.498 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.693 2.909 20.139 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.707 1.106 18.874 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.316 2.325 17.771 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.392 4.655 18.328 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.998 5.247 19.960 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.692 4.818 18.829 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.180 1.412 16.975 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.003 3.138 17.371 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.385 1.900 18.491 1.00 0.00 H new ATOM 821 N THR A 53 -0.889 4.659 22.384 1.00 0.00 N ATOM 822 CA THR A 53 -0.945 5.732 23.421 1.00 0.00 C ATOM 823 C THR A 53 -0.684 7.103 22.731 1.00 0.00 C ATOM 824 O THR A 53 0.412 7.662 22.828 1.00 0.00 O ATOM 825 CB THR A 53 0.022 5.433 24.611 1.00 0.00 C ATOM 826 OG1 THR A 53 1.363 5.253 24.160 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.376 4.212 25.459 1.00 0.00 C ATOM 0 H THR A 53 0.023 4.568 21.936 1.00 0.00 H new ATOM 0 HA THR A 53 -1.936 5.767 23.873 1.00 0.00 H new ATOM 0 HB THR A 53 -0.054 6.314 25.248 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.603 5.980 23.549 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.348 4.076 26.263 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.366 4.372 25.886 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.392 3.322 24.830 1.00 0.00 H new ATOM 835 N ALA A 54 -1.708 7.643 22.036 1.00 0.00 N ATOM 836 CA ALA A 54 -1.572 8.867 21.201 1.00 0.00 C ATOM 837 C ALA A 54 -1.696 10.154 22.060 1.00 0.00 C ATOM 838 O ALA A 54 -0.754 10.502 22.779 1.00 0.00 O ATOM 839 CB ALA A 54 -2.485 8.704 19.962 1.00 0.00 C ATOM 0 H ALA A 54 -2.649 7.249 22.034 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.572 8.997 20.788 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.404 9.589 19.331 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.176 7.826 19.395 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.519 8.582 20.285 1.00 0.00 H new ATOM 845 N GLY A 55 -2.841 10.836 21.983 1.00 0.00 N ATOM 846 CA GLY A 55 -3.087 12.102 22.709 1.00 0.00 C ATOM 847 C GLY A 55 -3.534 11.867 24.160 1.00 0.00 C ATOM 848 O GLY A 55 -2.698 11.596 25.026 1.00 0.00 O ATOM 0 H GLY A 55 -3.632 10.532 21.415 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.178 12.703 22.705 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.851 12.676 22.185 1.00 0.00 H new ATOM 852 N SER A 56 -4.856 11.916 24.388 1.00 0.00 N ATOM 853 CA SER A 56 -5.482 11.238 25.557 1.00 0.00 C ATOM 854 C SER A 56 -6.369 10.077 25.019 1.00 0.00 C ATOM 855 O SER A 56 -7.603 10.139 25.053 1.00 0.00 O ATOM 856 CB SER A 56 -6.252 12.265 26.421 1.00 0.00 C ATOM 857 OG SER A 56 -5.366 13.220 26.995 1.00 0.00 O ATOM 0 H SER A 56 -5.516 12.412 23.789 1.00 0.00 H new ATOM 0 HA SER A 56 -4.732 10.806 26.220 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.995 12.776 25.808 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.794 11.746 27.212 1.00 0.00 H new ATOM 0 HG SER A 56 -5.878 13.858 27.535 1.00 0.00 H new ATOM 863 N LYS A 57 -5.709 9.028 24.481 1.00 0.00 N ATOM 864 CA LYS A 57 -6.382 7.922 23.754 1.00 0.00 C ATOM 865 C LYS A 57 -5.537 6.650 24.020 1.00 0.00 C ATOM 866 O LYS A 57 -4.544 6.395 23.328 1.00 0.00 O ATOM 867 CB LYS A 57 -6.525 8.210 22.230 1.00 0.00 C ATOM 868 CG LYS A 57 -7.516 9.334 21.840 1.00 0.00 C ATOM 869 CD LYS A 57 -7.738 9.531 20.322 1.00 0.00 C ATOM 870 CE LYS A 57 -6.526 10.000 19.487 1.00 0.00 C ATOM 871 NZ LYS A 57 -6.054 11.350 19.846 1.00 0.00 N ATOM 0 H LYS A 57 -4.696 8.921 24.537 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.404 7.799 24.112 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.542 8.467 21.836 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.837 7.290 21.735 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.479 9.123 22.306 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.157 10.273 22.262 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.090 8.587 19.907 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.541 10.256 20.189 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.708 9.291 19.617 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.795 9.986 18.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.422 11.706 19.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.869 11.988 19.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.538 11.309 20.748 1.00 0.00 H new ATOM 885 N VAL A 58 -5.942 5.859 25.034 1.00 0.00 N ATOM 886 CA VAL A 58 -5.269 4.575 25.390 1.00 0.00 C ATOM 887 C VAL A 58 -6.184 3.461 24.800 1.00 0.00 C ATOM 888 O VAL A 58 -7.158 3.038 25.432 1.00 0.00 O ATOM 889 CB VAL A 58 -4.999 4.458 26.932 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.313 3.124 27.318 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.136 5.613 27.497 1.00 0.00 C ATOM 0 H VAL A 58 -6.738 6.082 25.631 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.267 4.494 24.968 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.994 4.507 27.374 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.150 3.097 28.395 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.950 2.289 27.026 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.355 3.046 26.804 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.989 5.468 28.567 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.168 5.622 26.996 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.642 6.563 27.326 1.00 0.00 H new ATOM 901 N ILE A 59 -5.871 3.038 23.561 1.00 0.00 N ATOM 902 CA ILE A 59 -6.745 2.142 22.754 1.00 0.00 C ATOM 903 C ILE A 59 -5.930 0.827 22.593 1.00 0.00 C ATOM 904 O ILE A 59 -5.032 0.739 21.748 1.00 0.00 O ATOM 905 CB ILE A 59 -7.175 2.857 21.420 1.00 0.00 C ATOM 906 CG1 ILE A 59 -8.111 4.081 21.684 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.866 1.888 20.427 1.00 0.00 C ATOM 908 CD1 ILE A 59 -8.310 5.035 20.498 1.00 0.00 C ATOM 0 H ILE A 59 -5.009 3.303 23.085 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.700 1.902 23.221 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.249 3.213 20.969 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.087 3.708 21.994 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.706 4.651 22.521 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.143 2.430 19.523 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.180 1.080 20.170 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.761 1.471 20.889 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.976 5.847 20.792 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.347 5.447 20.197 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.749 4.490 19.662 1.00 0.00 H new ATOM 920 N GLN A 60 -6.262 -0.178 23.427 1.00 0.00 N ATOM 921 CA GLN A 60 -5.526 -1.465 23.477 1.00 0.00 C ATOM 922 C GLN A 60 -6.341 -2.554 22.734 1.00 0.00 C ATOM 923 O GLN A 60 -7.482 -2.864 23.094 1.00 0.00 O ATOM 924 CB GLN A 60 -5.224 -1.827 24.955 1.00 0.00 C ATOM 925 CG GLN A 60 -4.187 -2.962 25.117 1.00 0.00 C ATOM 926 CD GLN A 60 -3.747 -3.266 26.562 1.00 0.00 C ATOM 927 OE1 GLN A 60 -4.268 -2.741 27.547 1.00 0.00 O ATOM 928 NE2 GLN A 60 -2.764 -4.139 26.712 1.00 0.00 N ATOM 0 H GLN A 60 -7.042 -0.125 24.082 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.566 -1.386 22.967 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.860 -0.938 25.471 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.152 -2.122 25.445 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.602 -3.872 24.684 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.302 -2.706 24.534 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.336 -4.571 25.893 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.434 -4.380 27.647 1.00 0.00 H new ATOM 937 N ASN A 61 -5.714 -3.117 21.693 1.00 0.00 N ATOM 938 CA ASN A 61 -6.348 -4.103 20.778 1.00 0.00 C ATOM 939 C ASN A 61 -5.733 -5.510 21.032 1.00 0.00 C ATOM 940 O ASN A 61 -4.567 -5.636 21.421 1.00 0.00 O ATOM 941 CB ASN A 61 -6.131 -3.656 19.302 1.00 0.00 C ATOM 942 CG ASN A 61 -6.735 -2.293 18.881 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.290 -1.536 19.675 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.620 -1.932 17.617 1.00 0.00 N ATOM 0 H ASN A 61 -4.746 -2.906 21.452 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.420 -4.154 20.967 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.058 -3.623 19.113 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.546 -4.425 18.651 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.990 -1.033 17.308 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.161 -2.552 16.949 1.00 0.00 H new ATOM 951 N GLU A 62 -6.527 -6.570 20.791 1.00 0.00 N ATOM 952 CA GLU A 62 -6.043 -7.973 20.870 1.00 0.00 C ATOM 953 C GLU A 62 -6.622 -8.713 19.642 1.00 0.00 C ATOM 954 O GLU A 62 -7.832 -8.959 19.565 1.00 0.00 O ATOM 955 CB GLU A 62 -6.421 -8.646 22.223 1.00 0.00 C ATOM 956 CG GLU A 62 -5.655 -9.948 22.577 1.00 0.00 C ATOM 957 CD GLU A 62 -5.952 -11.182 21.709 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.118 -11.632 21.674 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.021 -11.705 21.056 1.00 0.00 O ATOM 0 H GLU A 62 -7.512 -6.487 20.538 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.954 -8.012 20.845 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.257 -7.924 23.023 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.488 -8.869 22.209 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.586 -9.741 22.519 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.875 -10.201 23.614 1.00 0.00 H new ATOM 966 N PHE A 63 -5.731 -9.079 18.705 1.00 0.00 N ATOM 967 CA PHE A 63 -6.098 -9.846 17.491 1.00 0.00 C ATOM 968 C PHE A 63 -5.375 -11.217 17.506 1.00 0.00 C ATOM 969 O PHE A 63 -4.151 -11.274 17.643 1.00 0.00 O ATOM 970 CB PHE A 63 -5.848 -9.018 16.203 1.00 0.00 C ATOM 971 CG PHE A 63 -4.396 -8.666 15.806 1.00 0.00 C ATOM 972 CD1 PHE A 63 -3.788 -7.494 16.270 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.684 -9.514 14.951 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.492 -7.172 15.869 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.392 -9.185 14.551 1.00 0.00 C ATOM 976 CZ PHE A 63 -1.800 -8.014 15.008 1.00 0.00 C ATOM 0 H PHE A 63 -4.738 -8.855 18.763 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.169 -10.050 17.493 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.293 -9.563 15.371 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.398 -8.082 16.302 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.324 -6.838 16.940 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.139 -10.428 14.600 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.026 -6.267 16.228 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.850 -9.840 13.885 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.799 -7.758 14.693 1.00 0.00 H new ATOM 986 N THR A 64 -6.128 -12.313 17.322 1.00 0.00 N ATOM 987 CA THR A 64 -5.542 -13.665 17.127 1.00 0.00 C ATOM 988 C THR A 64 -5.548 -13.943 15.595 1.00 0.00 C ATOM 989 O THR A 64 -6.610 -13.960 14.963 1.00 0.00 O ATOM 990 CB THR A 64 -6.285 -14.750 17.959 1.00 0.00 C ATOM 991 OG1 THR A 64 -6.478 -14.314 19.303 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.504 -16.072 18.033 1.00 0.00 C ATOM 0 H THR A 64 -7.148 -12.297 17.303 1.00 0.00 H new ATOM 0 HA THR A 64 -4.518 -13.705 17.499 1.00 0.00 H new ATOM 0 HB THR A 64 -7.235 -14.910 17.449 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.948 -15.010 19.808 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.066 -16.794 18.625 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.356 -16.464 17.027 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.535 -15.896 18.500 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.350 -14.144 15.007 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.172 -14.259 13.528 1.00 0.00 C ATOM 1002 C VAL A 65 -4.809 -15.560 12.944 1.00 0.00 C ATOM 1003 O VAL A 65 -4.672 -16.647 13.516 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.683 -14.075 13.065 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.182 -12.625 13.228 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.655 -15.042 13.688 1.00 0.00 C ATOM 0 H VAL A 65 -3.480 -14.232 15.532 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.725 -13.420 13.106 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.739 -14.333 12.007 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.147 -12.558 12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.802 -11.957 12.630 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.243 -12.335 14.277 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.663 -14.821 13.295 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.651 -14.921 14.771 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.924 -16.069 13.439 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.540 -15.406 11.823 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.401 -16.488 11.275 1.00 0.00 C ATOM 1018 C GLY A 66 -7.889 -16.504 11.717 1.00 0.00 C ATOM 1019 O GLY A 66 -8.751 -16.876 10.917 1.00 0.00 O ATOM 0 H GLY A 66 -5.556 -14.546 11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.373 -16.424 10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.957 -17.445 11.550 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.178 -16.127 12.975 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.545 -16.110 13.555 1.00 0.00 C ATOM 1025 C GLU A 67 -10.150 -14.672 13.513 1.00 0.00 C ATOM 1026 O GLU A 67 -9.442 -13.663 13.399 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.483 -16.659 15.013 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.191 -18.170 15.177 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.705 -18.551 15.172 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -7.049 -18.429 16.230 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.189 -18.979 14.116 1.00 0.00 O ATOM 0 H GLU A 67 -7.461 -15.820 13.633 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.200 -16.748 12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.716 -16.104 15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.434 -16.442 15.499 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.634 -18.510 16.113 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.691 -18.710 14.373 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.488 -14.598 13.656 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.234 -13.310 13.752 1.00 0.00 C ATOM 1040 C GLU A 68 -12.064 -12.732 15.189 1.00 0.00 C ATOM 1041 O GLU A 68 -12.605 -13.288 16.153 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.754 -13.483 13.447 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.181 -13.894 12.021 1.00 0.00 C ATOM 1044 CD GLU A 68 -14.016 -15.384 11.694 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -14.845 -16.198 12.159 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -13.060 -15.749 10.975 1.00 0.00 O ATOM 0 H GLU A 68 -12.088 -15.421 13.709 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.823 -12.630 13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.147 -14.229 14.138 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.248 -12.540 13.681 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.227 -13.621 11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.600 -13.314 11.304 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.276 -11.649 15.324 1.00 0.00 N ATOM 1054 CA CYS A 69 -10.889 -11.090 16.648 1.00 0.00 C ATOM 1055 C CYS A 69 -10.949 -9.542 16.654 1.00 0.00 C ATOM 1056 O CYS A 69 -10.704 -8.874 15.642 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.477 -11.574 17.031 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.467 -13.376 17.303 1.00 0.00 S ATOM 0 H CYS A 69 -10.889 -11.136 14.532 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.605 -11.449 17.387 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.772 -11.316 16.241 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.144 -11.063 17.934 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.892 -13.640 18.439 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.261 -8.986 17.842 1.00 0.00 N ATOM 1065 CA GLU A 70 -11.543 -7.540 18.026 1.00 0.00 C ATOM 1066 C GLU A 70 -10.332 -6.611 17.733 1.00 0.00 C ATOM 1067 O GLU A 70 -9.246 -6.770 18.299 1.00 0.00 O ATOM 1068 CB GLU A 70 -12.150 -7.262 19.432 1.00 0.00 C ATOM 1069 CG GLU A 70 -11.279 -7.592 20.671 1.00 0.00 C ATOM 1070 CD GLU A 70 -11.911 -7.132 21.986 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -12.838 -7.808 22.484 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -11.482 -6.090 22.529 1.00 0.00 O ATOM 0 H GLU A 70 -11.326 -9.525 18.706 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.285 -7.287 17.269 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.415 -6.206 19.480 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.078 -7.827 19.514 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.109 -8.668 20.713 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.303 -7.120 20.558 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.567 -5.621 16.861 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.673 -4.452 16.714 1.00 0.00 C ATOM 1081 C LEU A 71 -10.515 -3.232 17.147 1.00 0.00 C ATOM 1082 O LEU A 71 -11.447 -2.821 16.448 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.134 -4.314 15.266 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.135 -5.405 14.790 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -7.784 -5.222 13.305 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -6.833 -5.413 15.613 1.00 0.00 C ATOM 0 H LEU A 71 -11.375 -5.602 16.239 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.780 -4.551 17.331 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.985 -4.310 14.584 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.648 -3.343 15.174 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.639 -6.360 14.937 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.083 -5.999 12.998 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.691 -5.294 12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.328 -4.243 13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.171 -6.194 15.239 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.340 -4.445 15.523 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.066 -5.606 16.660 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.179 -2.670 18.321 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.901 -1.509 18.901 1.00 0.00 C ATOM 1100 C GLU A 72 -10.440 -0.223 18.163 1.00 0.00 C ATOM 1101 O GLU A 72 -9.301 0.228 18.323 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.663 -1.412 20.433 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.182 -2.612 21.258 1.00 0.00 C ATOM 1104 CD GLU A 72 -10.984 -2.457 22.770 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.506 -1.482 23.356 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -10.326 -3.325 23.384 1.00 0.00 O ATOM 0 H GLU A 72 -9.405 -3.001 18.897 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.975 -1.634 18.763 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.593 -1.304 20.612 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.141 -0.504 20.802 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.244 -2.750 21.053 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.673 -3.517 20.925 1.00 0.00 H new ATOM 1113 N THR A 73 -11.322 0.316 17.305 1.00 0.00 N ATOM 1114 CA THR A 73 -10.979 1.458 16.405 1.00 0.00 C ATOM 1115 C THR A 73 -11.167 2.842 17.101 1.00 0.00 C ATOM 1116 O THR A 73 -11.871 2.981 18.108 1.00 0.00 O ATOM 1117 CB THR A 73 -11.756 1.363 15.050 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.158 1.198 15.258 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.237 0.255 14.117 1.00 0.00 C ATOM 0 H THR A 73 -12.282 -0.013 17.207 1.00 0.00 H new ATOM 0 HA THR A 73 -9.916 1.380 16.176 1.00 0.00 H new ATOM 0 HB THR A 73 -11.573 2.315 14.552 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.613 1.144 14.392 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.823 0.249 13.198 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.190 0.441 13.878 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.330 -0.711 14.613 1.00 0.00 H new ATOM 1127 N MET A 74 -10.533 3.873 16.508 1.00 0.00 N ATOM 1128 CA MET A 74 -10.672 5.300 16.928 1.00 0.00 C ATOM 1129 C MET A 74 -12.128 5.876 16.993 1.00 0.00 C ATOM 1130 O MET A 74 -12.397 6.691 17.880 1.00 0.00 O ATOM 1131 CB MET A 74 -9.789 6.190 16.009 1.00 0.00 C ATOM 1132 CG MET A 74 -8.264 6.044 16.162 1.00 0.00 C ATOM 1133 SD MET A 74 -7.741 6.759 17.734 1.00 0.00 S ATOM 1134 CE MET A 74 -5.949 6.579 17.621 1.00 0.00 C ATOM 0 H MET A 74 -9.902 3.748 15.716 1.00 0.00 H new ATOM 0 HA MET A 74 -10.337 5.319 17.965 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.049 5.973 14.973 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.051 7.232 16.191 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.983 4.992 16.119 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.756 6.544 15.337 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.486 6.978 18.523 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.695 5.524 17.519 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.582 7.126 16.753 1.00 0.00 H new ATOM 1144 N THR A 75 -13.047 5.464 16.090 1.00 0.00 N ATOM 1145 CA THR A 75 -14.494 5.787 16.199 1.00 0.00 C ATOM 1146 C THR A 75 -15.283 4.616 15.547 1.00 0.00 C ATOM 1147 O THR A 75 -15.118 4.312 14.360 1.00 0.00 O ATOM 1148 CB THR A 75 -14.864 7.196 15.643 1.00 0.00 C ATOM 1149 OG1 THR A 75 -16.233 7.471 15.917 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.620 7.434 14.144 1.00 0.00 C ATOM 0 H THR A 75 -12.813 4.903 15.271 1.00 0.00 H new ATOM 0 HA THR A 75 -14.777 5.869 17.248 1.00 0.00 H new ATOM 0 HB THR A 75 -14.179 7.869 16.159 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.465 8.357 15.569 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.917 8.450 13.884 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.562 7.297 13.921 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.208 6.724 13.562 1.00 0.00 H new ATOM 1158 N GLY A 76 -16.149 3.977 16.345 1.00 0.00 N ATOM 1159 CA GLY A 76 -17.031 2.897 15.862 1.00 0.00 C ATOM 1160 C GLY A 76 -17.669 2.160 17.051 1.00 0.00 C ATOM 1161 O GLY A 76 -18.224 2.789 17.960 1.00 0.00 O ATOM 0 H GLY A 76 -16.260 4.189 17.336 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.810 3.312 15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.460 2.195 15.254 1.00 0.00 H new ATOM 1165 N GLU A 77 -17.592 0.819 17.024 1.00 0.00 N ATOM 1166 CA GLU A 77 -18.009 -0.034 18.173 1.00 0.00 C ATOM 1167 C GLU A 77 -17.350 -1.432 17.998 1.00 0.00 C ATOM 1168 O GLU A 77 -17.984 -2.363 17.491 1.00 0.00 O ATOM 1169 CB GLU A 77 -19.563 -0.097 18.346 1.00 0.00 C ATOM 1170 CG GLU A 77 -20.075 -0.546 19.735 1.00 0.00 C ATOM 1171 CD GLU A 77 -19.902 -2.035 20.057 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -20.642 -2.867 19.486 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -19.022 -2.379 20.876 1.00 0.00 O ATOM 0 H GLU A 77 -17.246 0.292 16.222 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.659 0.409 19.106 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -19.972 0.890 18.132 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -19.965 -0.778 17.596 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -19.557 0.035 20.498 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -21.134 -0.297 19.810 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.083 -1.565 18.450 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.362 -2.868 18.619 1.00 0.00 C ATOM 1182 C LYS A 78 -15.482 -3.875 17.429 1.00 0.00 C ATOM 1183 O LYS A 78 -16.260 -4.835 17.485 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.691 -3.536 19.985 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.443 -2.677 21.250 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.574 -3.446 22.579 1.00 0.00 C ATOM 1187 CE LYS A 78 -14.397 -4.398 22.861 1.00 0.00 C ATOM 1188 NZ LYS A 78 -14.573 -5.130 24.128 1.00 0.00 N ATOM 0 H LYS A 78 -15.514 -0.761 18.715 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.308 -2.589 18.613 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.739 -3.835 19.975 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.100 -4.448 20.070 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.444 -2.246 21.191 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -16.149 -1.846 21.254 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.655 -2.730 23.397 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.500 -4.021 22.566 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.301 -5.110 22.041 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.469 -3.827 22.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.760 -5.760 24.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.639 -4.452 24.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.445 -5.695 24.084 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.741 -3.615 16.339 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.911 -4.340 15.048 1.00 0.00 C ATOM 1204 C VAL A 79 -14.085 -5.662 15.042 1.00 0.00 C ATOM 1205 O VAL A 79 -12.856 -5.633 14.943 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.655 -3.382 13.833 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.311 -2.620 13.826 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -14.835 -4.089 12.475 1.00 0.00 C ATOM 0 H VAL A 79 -14.010 -2.904 16.317 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.947 -4.660 14.936 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.428 -2.627 13.978 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.253 -1.992 12.937 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.242 -1.995 14.717 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.488 -3.334 13.820 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.646 -3.381 11.668 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.132 -4.919 12.401 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.854 -4.468 12.394 1.00 0.00 H new ATOM 1218 N LYS A 80 -14.789 -6.813 15.084 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.162 -8.152 14.933 1.00 0.00 C ATOM 1220 C LYS A 80 -13.894 -8.467 13.432 1.00 0.00 C ATOM 1221 O LYS A 80 -14.816 -8.553 12.615 1.00 0.00 O ATOM 1222 CB LYS A 80 -14.940 -9.262 15.690 1.00 0.00 C ATOM 1223 CG LYS A 80 -16.385 -9.586 15.234 1.00 0.00 C ATOM 1224 CD LYS A 80 -17.088 -10.686 16.056 1.00 0.00 C ATOM 1225 CE LYS A 80 -16.515 -12.102 15.850 1.00 0.00 C ATOM 1226 NZ LYS A 80 -17.281 -13.110 16.603 1.00 0.00 N ATOM 0 H LYS A 80 -15.799 -6.846 15.222 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.187 -8.131 15.420 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.357 -10.181 15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.978 -8.983 16.743 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.981 -8.675 15.287 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.362 -9.892 14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.021 -10.431 17.114 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.147 -10.695 15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.530 -12.351 14.789 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.473 -12.124 16.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.869 -14.051 16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.246 -12.886 17.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.270 -13.106 16.282 1.00 0.00 H new ATOM 1240 N THR A 81 -12.601 -8.582 13.096 1.00 0.00 N ATOM 1241 CA THR A 81 -12.118 -8.731 11.697 1.00 0.00 C ATOM 1242 C THR A 81 -10.835 -9.616 11.699 1.00 0.00 C ATOM 1243 O THR A 81 -9.982 -9.524 12.590 1.00 0.00 O ATOM 1244 CB THR A 81 -11.943 -7.344 10.996 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.587 -7.541 9.632 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.918 -6.377 11.619 1.00 0.00 C ATOM 0 H THR A 81 -11.849 -8.575 13.785 1.00 0.00 H new ATOM 0 HA THR A 81 -12.866 -9.245 11.092 1.00 0.00 H new ATOM 0 HB THR A 81 -12.913 -6.864 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.598 -6.680 9.164 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.891 -5.453 11.041 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.206 -6.154 12.646 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.931 -6.839 11.611 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.700 -10.456 10.655 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.562 -11.409 10.514 1.00 0.00 C ATOM 1256 C VAL A 82 -8.279 -10.634 10.079 1.00 0.00 C ATOM 1257 O VAL A 82 -8.303 -9.848 9.124 1.00 0.00 O ATOM 1258 CB VAL A 82 -9.872 -12.593 9.527 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -8.769 -13.679 9.562 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.214 -13.314 9.782 1.00 0.00 C ATOM 0 H VAL A 82 -11.368 -10.500 9.885 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.396 -11.868 11.488 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.920 -12.099 8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.023 -14.478 8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.815 -13.238 9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.692 -14.087 10.570 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.341 -14.115 9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.216 -13.735 10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.034 -12.602 9.685 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.168 -10.911 10.783 1.00 0.00 N ATOM 1271 CA VAL A 83 -5.831 -10.359 10.437 1.00 0.00 C ATOM 1272 C VAL A 83 -4.982 -11.581 9.993 1.00 0.00 C ATOM 1273 O VAL A 83 -4.594 -12.400 10.831 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.165 -9.565 11.614 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -3.910 -8.800 11.133 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.098 -8.576 12.353 1.00 0.00 C ATOM 0 H VAL A 83 -7.162 -11.518 11.603 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.914 -9.617 9.643 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.899 -10.339 12.334 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.470 -8.259 11.971 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.182 -9.508 10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.192 -8.093 10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.543 -8.078 13.148 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.470 -7.832 11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.938 -9.121 12.783 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.694 -11.704 8.686 1.00 0.00 N ATOM 1287 CA GLN A 84 -3.886 -12.830 8.156 1.00 0.00 C ATOM 1288 C GLN A 84 -2.397 -12.400 8.078 1.00 0.00 C ATOM 1289 O GLN A 84 -2.049 -11.429 7.396 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.486 -13.289 6.797 1.00 0.00 C ATOM 1291 CG GLN A 84 -3.802 -14.497 6.112 1.00 0.00 C ATOM 1292 CD GLN A 84 -3.728 -15.795 6.940 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -2.675 -16.151 7.468 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.829 -16.522 7.077 1.00 0.00 N ATOM 0 H GLN A 84 -5.005 -11.043 7.974 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.920 -13.695 8.818 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.536 -13.535 6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.456 -12.445 6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.334 -14.712 5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.788 -14.207 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.698 -16.220 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.807 -17.383 7.623 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.528 -13.165 8.763 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.058 -12.968 8.696 1.00 0.00 C ATOM 1305 C LEU A 85 0.510 -13.586 7.389 1.00 0.00 C ATOM 1306 O LEU A 85 0.371 -14.786 7.129 1.00 0.00 O ATOM 1307 CB LEU A 85 0.613 -13.545 9.975 1.00 0.00 C ATOM 1308 CG LEU A 85 2.166 -13.464 10.060 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.731 -12.039 9.898 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.673 -14.099 11.367 1.00 0.00 C ATOM 0 H LEU A 85 -1.815 -13.930 9.374 1.00 0.00 H new ATOM 0 HA LEU A 85 0.170 -11.903 8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.199 -13.024 10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.323 -14.592 10.066 1.00 0.00 H new ATOM 0 HG LEU A 85 2.538 -14.032 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.818 -12.068 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.442 -11.641 8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.333 -11.398 10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.760 -14.032 11.406 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.246 -13.569 12.218 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.373 -15.146 11.403 1.00 0.00 H new ATOM 1322 N GLU A 86 1.183 -12.725 6.612 1.00 0.00 N ATOM 1323 CA GLU A 86 1.976 -13.133 5.430 1.00 0.00 C ATOM 1324 C GLU A 86 3.470 -13.156 5.835 1.00 0.00 C ATOM 1325 O GLU A 86 4.066 -12.130 6.188 1.00 0.00 O ATOM 1326 CB GLU A 86 1.734 -12.184 4.232 1.00 0.00 C ATOM 1327 CG GLU A 86 0.369 -12.402 3.551 1.00 0.00 C ATOM 1328 CD GLU A 86 0.128 -11.447 2.380 1.00 0.00 C ATOM 1329 OE1 GLU A 86 0.617 -11.721 1.262 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -0.555 -10.417 2.574 1.00 0.00 O ATOM 0 H GLU A 86 1.196 -11.719 6.782 1.00 0.00 H new ATOM 0 HA GLU A 86 1.666 -14.126 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.801 -11.152 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.526 -12.327 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.307 -13.430 3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.424 -12.273 4.288 1.00 0.00 H new ATOM 1337 N GLY A 87 4.032 -14.373 5.800 1.00 0.00 N ATOM 1338 CA GLY A 87 5.424 -14.639 6.227 1.00 0.00 C ATOM 1339 C GLY A 87 5.640 -14.493 7.751 1.00 0.00 C ATOM 1340 O GLY A 87 5.084 -15.260 8.543 1.00 0.00 O ATOM 0 H GLY A 87 3.539 -15.205 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.702 -15.648 5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.093 -13.954 5.706 1.00 0.00 H new ATOM 1344 N ASP A 88 6.443 -13.486 8.123 1.00 0.00 N ATOM 1345 CA ASP A 88 6.672 -13.087 9.547 1.00 0.00 C ATOM 1346 C ASP A 88 6.616 -11.548 9.821 1.00 0.00 C ATOM 1347 O ASP A 88 6.561 -11.168 10.996 1.00 0.00 O ATOM 1348 CB ASP A 88 8.015 -13.669 10.079 1.00 0.00 C ATOM 1349 CG ASP A 88 8.037 -15.193 10.267 1.00 0.00 C ATOM 1350 OD1 ASP A 88 7.491 -15.685 11.279 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.593 -15.903 9.399 1.00 0.00 O ATOM 0 H ASP A 88 6.960 -12.915 7.454 1.00 0.00 H new ATOM 0 HA ASP A 88 5.830 -13.516 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.812 -13.392 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.244 -13.197 11.035 1.00 0.00 H new ATOM 1356 N ASN A 89 6.635 -10.670 8.793 1.00 0.00 N ATOM 1357 CA ASN A 89 6.713 -9.191 8.966 1.00 0.00 C ATOM 1358 C ASN A 89 5.736 -8.360 8.061 1.00 0.00 C ATOM 1359 O ASN A 89 6.082 -7.245 7.656 1.00 0.00 O ATOM 1360 CB ASN A 89 8.211 -8.765 8.881 1.00 0.00 C ATOM 1361 CG ASN A 89 8.917 -8.764 7.507 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.494 -9.396 6.538 1.00 0.00 O ATOM 1363 ND2 ASN A 89 10.010 -8.026 7.409 1.00 0.00 N ATOM 0 H ASN A 89 6.597 -10.962 7.816 1.00 0.00 H new ATOM 0 HA ASN A 89 6.334 -8.940 9.957 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.290 -7.758 9.291 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.777 -9.423 9.540 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.513 -7.975 6.523 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.350 -7.508 8.219 1.00 0.00 H new ATOM 1370 N LYS A 90 4.510 -8.859 7.774 1.00 0.00 N ATOM 1371 CA LYS A 90 3.511 -8.148 6.927 1.00 0.00 C ATOM 1372 C LYS A 90 2.094 -8.678 7.279 1.00 0.00 C ATOM 1373 O LYS A 90 1.755 -9.824 6.980 1.00 0.00 O ATOM 1374 CB LYS A 90 3.875 -8.305 5.421 1.00 0.00 C ATOM 1375 CG LYS A 90 3.099 -7.409 4.429 1.00 0.00 C ATOM 1376 CD LYS A 90 1.936 -8.118 3.700 1.00 0.00 C ATOM 1377 CE LYS A 90 1.237 -7.267 2.620 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.078 -7.012 1.433 1.00 0.00 N ATOM 0 H LYS A 90 4.183 -9.761 8.119 1.00 0.00 H new ATOM 0 HA LYS A 90 3.521 -7.077 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.939 -8.102 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.716 -9.345 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.702 -6.550 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.796 -7.024 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.317 -9.028 3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.195 -8.423 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.323 -7.772 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.940 -6.313 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.547 -6.436 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.939 -6.504 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.341 -7.917 0.993 1.00 0.00 H new ATOM 1392 N LEU A 91 1.274 -7.815 7.903 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.118 -8.140 8.324 1.00 0.00 C ATOM 1394 C LEU A 91 -1.131 -7.420 7.385 1.00 0.00 C ATOM 1395 O LEU A 91 -0.922 -6.263 7.000 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.337 -7.664 9.789 1.00 0.00 C ATOM 1397 CG LEU A 91 0.466 -8.397 10.902 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.578 -7.520 12.163 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.120 -9.775 11.264 1.00 0.00 C ATOM 0 H LEU A 91 1.552 -6.862 8.136 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.274 -9.217 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.093 -6.603 9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.398 -7.758 10.020 1.00 0.00 H new ATOM 0 HG LEU A 91 1.461 -8.573 10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.143 -8.053 12.928 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.090 -6.590 11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.420 -7.296 12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.485 -10.234 12.046 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.142 -9.653 11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.118 -10.414 10.381 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.243 -8.101 7.050 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.303 -7.564 6.154 1.00 0.00 C ATOM 1413 C VAL A 92 -4.683 -7.663 6.870 1.00 0.00 C ATOM 1414 O VAL A 92 -5.108 -8.750 7.276 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.316 -8.261 4.751 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -2.208 -7.717 3.827 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -3.294 -9.810 4.734 1.00 0.00 C ATOM 0 H VAL A 92 -2.439 -9.042 7.390 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.084 -6.515 5.954 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.302 -7.992 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.253 -8.228 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.352 -6.647 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.234 -7.891 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.306 -10.163 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.391 -10.167 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.170 -10.192 5.258 1.00 0.00 H new ATOM 1427 N THR A 93 -5.384 -6.516 6.995 1.00 0.00 N ATOM 1428 CA THR A 93 -6.735 -6.448 7.617 1.00 0.00 C ATOM 1429 C THR A 93 -7.486 -5.188 7.111 1.00 0.00 C ATOM 1430 O THR A 93 -7.114 -4.048 7.397 1.00 0.00 O ATOM 1431 CB THR A 93 -6.695 -6.533 9.175 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.020 -6.641 9.682 1.00 0.00 O ATOM 1433 CG2 THR A 93 -5.968 -5.399 9.931 1.00 0.00 C ATOM 0 H THR A 93 -5.037 -5.613 6.672 1.00 0.00 H new ATOM 0 HA THR A 93 -7.292 -7.331 7.302 1.00 0.00 H new ATOM 0 HB THR A 93 -6.090 -7.420 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.324 -7.570 9.607 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.018 -5.586 11.004 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.925 -5.363 9.617 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.447 -4.446 9.706 1.00 0.00 H new ATOM 1441 N THR A 94 -8.597 -5.437 6.415 1.00 0.00 N ATOM 1442 CA THR A 94 -9.631 -4.419 6.113 1.00 0.00 C ATOM 1443 C THR A 94 -10.791 -4.635 7.121 1.00 0.00 C ATOM 1444 O THR A 94 -11.311 -5.748 7.274 1.00 0.00 O ATOM 1445 CB THR A 94 -10.062 -4.500 4.623 1.00 0.00 C ATOM 1446 OG1 THR A 94 -11.049 -3.508 4.353 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.592 -5.870 4.153 1.00 0.00 C ATOM 0 H THR A 94 -8.816 -6.359 6.037 1.00 0.00 H new ATOM 0 HA THR A 94 -9.253 -3.404 6.236 1.00 0.00 H new ATOM 0 HB THR A 94 -9.144 -4.331 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.883 -2.720 4.912 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.863 -5.813 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.818 -6.625 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.470 -6.141 4.740 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.187 -3.554 7.806 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.201 -3.621 8.893 1.00 0.00 C ATOM 1457 C PHE A 95 -13.635 -3.717 8.289 1.00 0.00 C ATOM 1458 O PHE A 95 -14.234 -4.797 8.310 1.00 0.00 O ATOM 1459 CB PHE A 95 -12.044 -2.504 9.972 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.643 -2.102 10.478 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -9.907 -1.154 9.757 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -10.145 -2.564 11.700 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.713 -0.653 10.263 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.946 -2.060 12.204 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.232 -1.107 11.486 1.00 0.00 C ATOM 0 H PHE A 95 -10.826 -2.616 7.634 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.020 -4.538 9.453 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.514 -1.604 9.576 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.625 -2.811 10.841 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.270 -0.809 8.800 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.690 -3.313 12.255 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.159 0.089 9.706 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.571 -2.411 13.154 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.304 -0.719 11.878 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.142 -2.608 7.718 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.430 -2.557 6.995 1.00 0.00 C ATOM 1477 C LYS A 96 -15.181 -1.708 5.712 1.00 0.00 C ATOM 1478 O LYS A 96 -14.933 -2.286 4.649 1.00 0.00 O ATOM 1479 CB LYS A 96 -16.510 -2.082 7.997 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.935 -2.026 7.423 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.962 -1.656 8.503 1.00 0.00 C ATOM 1482 CE LYS A 96 -19.477 -2.856 9.324 1.00 0.00 C ATOM 1483 NZ LYS A 96 -20.445 -2.432 10.350 1.00 0.00 N ATOM 0 H LYS A 96 -13.662 -1.708 7.746 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.818 -3.508 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.506 -2.749 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.239 -1.090 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.975 -1.295 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -18.192 -2.993 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.513 -0.931 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.811 -1.164 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.945 -3.580 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.636 -3.359 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -20.771 -3.263 10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.990 -1.760 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -21.258 -1.974 9.892 1.00 0.00 H new ATOM 1497 N ASN A 97 -15.191 -0.363 5.819 1.00 0.00 N ATOM 1498 CA ASN A 97 -14.734 0.558 4.732 1.00 0.00 C ATOM 1499 C ASN A 97 -13.208 0.906 4.783 1.00 0.00 C ATOM 1500 O ASN A 97 -12.608 1.106 3.723 1.00 0.00 O ATOM 1501 CB ASN A 97 -15.581 1.864 4.738 1.00 0.00 C ATOM 1502 CG ASN A 97 -17.078 1.689 4.399 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -17.911 1.476 5.280 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -17.446 1.769 3.129 1.00 0.00 N ATOM 0 H ASN A 97 -15.513 0.124 6.655 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.887 0.014 3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.501 2.323 5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.144 2.563 4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.427 1.654 2.874 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.748 1.946 2.406 1.00 0.00 H new ATOM 1511 N ILE A 98 -12.591 0.998 5.982 1.00 0.00 N ATOM 1512 CA ILE A 98 -11.172 1.409 6.170 1.00 0.00 C ATOM 1513 C ILE A 98 -10.242 0.195 5.825 1.00 0.00 C ATOM 1514 O ILE A 98 -10.444 -0.926 6.303 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.971 1.943 7.641 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.873 3.157 8.034 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -9.495 2.307 7.956 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -12.141 3.287 9.543 1.00 0.00 C ATOM 0 H ILE A 98 -13.066 0.788 6.860 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.906 2.225 5.498 1.00 0.00 H new ATOM 0 HB ILE A 98 -11.282 1.091 8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -11.401 4.074 7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.827 3.069 7.514 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.420 2.668 8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.869 1.423 7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -9.158 3.086 7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.774 4.155 9.727 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.643 2.389 9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.195 3.410 10.071 1.00 0.00 H new ATOM 1530 N LYS A 99 -9.195 0.465 5.030 1.00 0.00 N ATOM 1531 CA LYS A 99 -8.064 -0.484 4.809 1.00 0.00 C ATOM 1532 C LYS A 99 -6.958 -0.265 5.891 1.00 0.00 C ATOM 1533 O LYS A 99 -6.747 0.860 6.353 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.525 -0.261 3.371 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.597 -1.379 2.840 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.921 -1.093 1.483 1.00 0.00 C ATOM 1537 CE LYS A 99 -6.810 -1.160 0.223 1.00 0.00 C ATOM 1538 NZ LYS A 99 -7.648 0.037 0.021 1.00 0.00 N ATOM 0 H LYS A 99 -9.097 1.342 4.518 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.398 -1.517 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.373 -0.160 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.982 0.684 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.820 -1.564 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.178 -2.297 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.477 -0.099 1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.103 -1.802 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.174 -1.299 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.455 -2.036 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.641 -0.250 -0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.564 0.663 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.331 0.543 -0.831 1.00 0.00 H new ATOM 1552 N SER A 100 -6.242 -1.340 6.274 1.00 0.00 N ATOM 1553 CA SER A 100 -5.061 -1.247 7.180 1.00 0.00 C ATOM 1554 C SER A 100 -4.041 -2.372 6.859 1.00 0.00 C ATOM 1555 O SER A 100 -4.383 -3.558 6.847 1.00 0.00 O ATOM 1556 CB SER A 100 -5.502 -1.271 8.663 1.00 0.00 C ATOM 1557 OG SER A 100 -4.394 -1.135 9.542 1.00 0.00 O ATOM 0 H SER A 100 -6.456 -2.291 5.973 1.00 0.00 H new ATOM 0 HA SER A 100 -4.562 -0.293 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.212 -0.464 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.021 -2.206 8.873 1.00 0.00 H new ATOM 0 HG SER A 100 -4.709 -1.152 10.470 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.774 -1.979 6.627 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.659 -2.926 6.332 1.00 0.00 C ATOM 1565 C VAL A 101 -0.504 -2.521 7.287 1.00 0.00 C ATOM 1566 O VAL A 101 0.069 -1.438 7.141 1.00 0.00 O ATOM 1567 CB VAL A 101 -1.225 -2.894 4.827 1.00 0.00 C ATOM 1568 CG1 VAL A 101 -0.024 -3.821 4.512 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.374 -3.286 3.871 1.00 0.00 C ATOM 0 H VAL A 101 -2.485 -1.001 6.637 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.968 -3.958 6.499 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.933 -1.857 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.223 -3.749 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.837 -3.516 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.286 -4.851 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.019 -3.247 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.710 -4.297 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.204 -2.590 3.995 1.00 0.00 H new ATOM 1579 N THR A 102 -0.151 -3.418 8.224 1.00 0.00 N ATOM 1580 CA THR A 102 0.912 -3.154 9.238 1.00 0.00 C ATOM 1581 C THR A 102 2.181 -3.925 8.769 1.00 0.00 C ATOM 1582 O THR A 102 2.366 -5.095 9.118 1.00 0.00 O ATOM 1583 CB THR A 102 0.412 -3.555 10.663 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.862 -2.981 10.941 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.351 -3.124 11.802 1.00 0.00 C ATOM 0 H THR A 102 -0.582 -4.339 8.309 1.00 0.00 H new ATOM 0 HA THR A 102 1.160 -2.095 9.316 1.00 0.00 H new ATOM 0 HB THR A 102 0.370 -4.644 10.635 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.153 -3.249 11.838 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.932 -3.440 12.758 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.328 -3.587 11.663 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.459 -2.039 11.794 1.00 0.00 H new ATOM 1593 N GLU A 103 3.030 -3.266 7.955 1.00 0.00 N ATOM 1594 CA GLU A 103 4.239 -3.896 7.363 1.00 0.00 C ATOM 1595 C GLU A 103 5.485 -3.355 8.107 1.00 0.00 C ATOM 1596 O GLU A 103 5.758 -2.151 8.095 1.00 0.00 O ATOM 1597 CB GLU A 103 4.288 -3.606 5.840 1.00 0.00 C ATOM 1598 CG GLU A 103 5.401 -4.370 5.086 1.00 0.00 C ATOM 1599 CD GLU A 103 5.416 -4.071 3.585 1.00 0.00 C ATOM 1600 OE1 GLU A 103 4.585 -4.643 2.845 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.259 -3.263 3.137 1.00 0.00 O ATOM 0 H GLU A 103 2.903 -2.290 7.688 1.00 0.00 H new ATOM 0 HA GLU A 103 4.213 -4.979 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.324 -3.864 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.431 -2.536 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.369 -4.107 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.266 -5.441 5.237 1.00 0.00 H new ATOM 1608 N LEU A 104 6.255 -4.274 8.708 1.00 0.00 N ATOM 1609 CA LEU A 104 7.529 -3.939 9.390 1.00 0.00 C ATOM 1610 C LEU A 104 8.666 -4.008 8.334 1.00 0.00 C ATOM 1611 O LEU A 104 8.974 -5.079 7.802 1.00 0.00 O ATOM 1612 CB LEU A 104 7.708 -4.921 10.578 1.00 0.00 C ATOM 1613 CG LEU A 104 8.784 -4.602 11.651 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.728 -5.664 12.760 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.225 -4.524 11.133 1.00 0.00 C ATOM 0 H LEU A 104 6.021 -5.266 8.739 1.00 0.00 H new ATOM 0 HA LEU A 104 7.542 -2.932 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.748 -5.003 11.087 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.935 -5.903 10.164 1.00 0.00 H new ATOM 0 HG LEU A 104 8.536 -3.604 12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.483 -5.442 13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.740 -5.657 13.221 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.921 -6.648 12.332 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.897 -4.297 11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.505 -5.480 10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.299 -3.740 10.380 1.00 0.00 H new ATOM 1627 N ASN A 105 9.278 -2.845 8.055 1.00 0.00 N ATOM 1628 CA ASN A 105 10.392 -2.717 7.079 1.00 0.00 C ATOM 1629 C ASN A 105 11.722 -2.540 7.867 1.00 0.00 C ATOM 1630 O ASN A 105 12.150 -1.416 8.148 1.00 0.00 O ATOM 1631 CB ASN A 105 10.119 -1.540 6.098 1.00 0.00 C ATOM 1632 CG ASN A 105 8.963 -1.757 5.098 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.152 -2.280 4.000 1.00 0.00 O ATOM 1634 ND2 ASN A 105 7.754 -1.361 5.462 1.00 0.00 N ATOM 0 H ASN A 105 9.020 -1.962 8.496 1.00 0.00 H new ATOM 0 HA ASN A 105 10.472 -3.616 6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.906 -0.645 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.031 -1.342 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.964 -1.488 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.612 -0.929 6.375 1.00 0.00 H new ATOM 1641 N GLY A 106 12.360 -3.671 8.231 1.00 0.00 N ATOM 1642 CA GLY A 106 13.654 -3.672 8.955 1.00 0.00 C ATOM 1643 C GLY A 106 13.494 -3.589 10.482 1.00 0.00 C ATOM 1644 O GLY A 106 13.378 -4.624 11.145 1.00 0.00 O ATOM 0 H GLY A 106 11.999 -4.604 8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.203 -4.579 8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.255 -2.830 8.613 1.00 0.00 H new ATOM 1648 N ASP A 107 13.467 -2.357 11.018 1.00 0.00 N ATOM 1649 CA ASP A 107 12.961 -2.081 12.397 1.00 0.00 C ATOM 1650 C ASP A 107 12.057 -0.798 12.414 1.00 0.00 C ATOM 1651 O ASP A 107 12.247 0.091 13.250 1.00 0.00 O ATOM 1652 CB ASP A 107 14.139 -2.014 13.414 1.00 0.00 C ATOM 1653 CG ASP A 107 14.869 -3.337 13.688 1.00 0.00 C ATOM 1654 OD1 ASP A 107 14.304 -4.208 14.387 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.005 -3.514 13.196 1.00 0.00 O ATOM 0 H ASP A 107 13.789 -1.525 10.524 1.00 0.00 H new ATOM 0 HA ASP A 107 12.326 -2.908 12.714 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.867 -1.289 13.049 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.755 -1.631 14.360 1.00 0.00 H new ATOM 1660 N ILE A 108 11.063 -0.700 11.498 1.00 0.00 N ATOM 1661 CA ILE A 108 10.166 0.483 11.373 1.00 0.00 C ATOM 1662 C ILE A 108 8.770 -0.088 10.979 1.00 0.00 C ATOM 1663 O ILE A 108 8.590 -0.603 9.873 1.00 0.00 O ATOM 1664 CB ILE A 108 10.659 1.578 10.348 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.112 2.115 10.563 1.00 0.00 C ATOM 1666 CG2 ILE A 108 9.703 2.799 10.335 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.216 1.364 9.802 1.00 0.00 C ATOM 0 H ILE A 108 10.858 -1.437 10.823 1.00 0.00 H new ATOM 0 HA ILE A 108 10.144 1.023 12.320 1.00 0.00 H new ATOM 0 HB ILE A 108 10.659 1.044 9.398 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.140 3.164 10.267 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.340 2.078 11.628 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.066 3.538 9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.703 2.475 10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.667 3.243 11.330 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.183 1.818 10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.226 0.319 10.113 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.023 1.422 8.731 1.00 0.00 H new ATOM 1679 N ILE A 109 7.767 0.091 11.860 1.00 0.00 N ATOM 1680 CA ILE A 109 6.341 -0.241 11.571 1.00 0.00 C ATOM 1681 C ILE A 109 5.765 0.874 10.656 1.00 0.00 C ATOM 1682 O ILE A 109 5.585 2.008 11.101 1.00 0.00 O ATOM 1683 CB ILE A 109 5.508 -0.386 12.898 1.00 0.00 C ATOM 1684 CG1 ILE A 109 6.028 -1.480 13.866 1.00 0.00 C ATOM 1685 CG2 ILE A 109 3.978 -0.547 12.687 1.00 0.00 C ATOM 1686 CD1 ILE A 109 5.878 -2.932 13.409 1.00 0.00 C ATOM 0 H ILE A 109 7.913 0.470 12.796 1.00 0.00 H new ATOM 0 HA ILE A 109 6.278 -1.203 11.063 1.00 0.00 H new ATOM 0 HB ILE A 109 5.670 0.580 13.376 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.084 -1.291 14.056 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.508 -1.368 14.817 1.00 0.00 H new ATOM 0 HG21 ILE A 109 3.485 -0.640 13.655 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.589 0.327 12.164 1.00 0.00 H new ATOM 0 HG23 ILE A 109 3.785 -1.441 12.094 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.279 -3.597 14.174 1.00 0.00 H new ATOM 0 HD12 ILE A 109 4.823 -3.156 13.250 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.425 -3.079 12.477 1.00 0.00 H new ATOM 1698 N THR A 110 5.445 0.523 9.405 1.00 0.00 N ATOM 1699 CA THR A 110 4.758 1.439 8.462 1.00 0.00 C ATOM 1700 C THR A 110 3.294 0.925 8.360 1.00 0.00 C ATOM 1701 O THR A 110 3.007 -0.020 7.616 1.00 0.00 O ATOM 1702 CB THR A 110 5.514 1.468 7.101 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.884 1.806 7.300 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.941 2.490 6.103 1.00 0.00 C ATOM 0 H THR A 110 5.649 -0.396 9.011 1.00 0.00 H new ATOM 0 HA THR A 110 4.750 2.475 8.801 1.00 0.00 H new ATOM 0 HB THR A 110 5.396 0.467 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.347 1.819 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.516 2.456 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.899 2.248 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.002 3.490 6.531 1.00 0.00 H new ATOM 1712 N ASN A 111 2.382 1.553 9.125 1.00 0.00 N ATOM 1713 CA ASN A 111 0.940 1.196 9.130 1.00 0.00 C ATOM 1714 C ASN A 111 0.217 2.163 8.156 1.00 0.00 C ATOM 1715 O ASN A 111 -0.118 3.299 8.505 1.00 0.00 O ATOM 1716 CB ASN A 111 0.446 1.153 10.603 1.00 0.00 C ATOM 1717 CG ASN A 111 -1.077 1.146 10.833 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.689 2.191 11.051 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.715 -0.010 10.788 1.00 0.00 N ATOM 0 H ASN A 111 2.616 2.319 9.756 1.00 0.00 H new ATOM 0 HA ASN A 111 0.717 0.198 8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.863 0.263 11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.863 2.014 11.125 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.724 -0.042 10.935 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.199 -0.871 10.607 1.00 0.00 H new ATOM 1726 N THR A 112 0.008 1.663 6.925 1.00 0.00 N ATOM 1727 CA THR A 112 -0.537 2.446 5.791 1.00 0.00 C ATOM 1728 C THR A 112 -2.065 2.174 5.725 1.00 0.00 C ATOM 1729 O THR A 112 -2.490 1.101 5.281 1.00 0.00 O ATOM 1730 CB THR A 112 0.226 2.041 4.493 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.629 2.233 4.657 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.187 2.855 3.260 1.00 0.00 C ATOM 0 H THR A 112 0.214 0.694 6.682 1.00 0.00 H new ATOM 0 HA THR A 112 -0.396 3.520 5.913 1.00 0.00 H new ATOM 0 HB THR A 112 -0.029 0.994 4.330 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.093 1.973 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.384 2.519 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.251 2.713 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.012 3.912 3.438 1.00 0.00 H new ATOM 1740 N MET A 113 -2.871 3.153 6.176 1.00 0.00 N ATOM 1741 CA MET A 113 -4.350 3.028 6.205 1.00 0.00 C ATOM 1742 C MET A 113 -4.960 3.922 5.094 1.00 0.00 C ATOM 1743 O MET A 113 -4.980 5.152 5.205 1.00 0.00 O ATOM 1744 CB MET A 113 -4.954 3.358 7.593 1.00 0.00 C ATOM 1745 CG MET A 113 -4.526 2.440 8.748 1.00 0.00 C ATOM 1746 SD MET A 113 -5.933 2.205 9.858 1.00 0.00 S ATOM 1747 CE MET A 113 -5.285 2.872 11.393 1.00 0.00 C ATOM 0 H MET A 113 -2.526 4.046 6.528 1.00 0.00 H new ATOM 0 HA MET A 113 -4.604 1.985 6.014 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.685 4.382 7.850 1.00 0.00 H new ATOM 0 HB3 MET A 113 -6.040 3.325 7.512 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.187 1.479 8.361 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.688 2.880 9.289 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.043 2.795 12.172 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.401 2.308 11.690 1.00 0.00 H new ATOM 0 HE3 MET A 113 -5.017 3.919 11.250 1.00 0.00 H new ATOM 1757 N THR A 114 -5.454 3.272 4.024 1.00 0.00 N ATOM 1758 CA THR A 114 -6.009 3.966 2.831 1.00 0.00 C ATOM 1759 C THR A 114 -7.555 4.065 2.986 1.00 0.00 C ATOM 1760 O THR A 114 -8.248 3.048 3.100 1.00 0.00 O ATOM 1761 CB THR A 114 -5.566 3.237 1.528 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.143 3.142 1.479 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.011 3.935 0.229 1.00 0.00 C ATOM 0 H THR A 114 -5.483 2.255 3.955 1.00 0.00 H new ATOM 0 HA THR A 114 -5.618 4.981 2.755 1.00 0.00 H new ATOM 0 HB THR A 114 -6.050 2.261 1.575 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.874 2.681 0.657 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.662 3.362 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.099 3.999 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.588 4.939 0.192 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.073 5.306 2.964 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.531 5.585 3.033 1.00 0.00 C ATOM 1773 C LEU A 115 -9.872 6.579 1.891 1.00 0.00 C ATOM 1774 O LEU A 115 -9.646 7.787 2.020 1.00 0.00 O ATOM 1775 CB LEU A 115 -9.888 6.117 4.451 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.377 6.482 4.705 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.324 5.268 4.627 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.519 7.188 6.065 1.00 0.00 C ATOM 0 H LEU A 115 -7.499 6.147 2.898 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.132 4.687 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.593 5.364 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.283 7.003 4.645 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.678 7.157 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.348 5.592 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.261 4.820 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.034 4.532 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.565 7.441 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.172 6.525 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.921 8.099 6.066 1.00 0.00 H new ATOM 1790 N GLY A 116 -10.411 6.050 0.776 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.746 6.861 -0.419 1.00 0.00 C ATOM 1792 C GLY A 116 -9.500 7.245 -1.238 1.00 0.00 C ATOM 1793 O GLY A 116 -8.983 6.428 -2.007 1.00 0.00 O ATOM 0 H GLY A 116 -10.626 5.058 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -11.435 6.302 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.265 7.767 -0.106 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.012 8.478 -1.020 1.00 0.00 N ATOM 1798 CA ASP A 117 -7.633 8.883 -1.427 1.00 0.00 C ATOM 1799 C ASP A 117 -6.938 9.636 -0.243 1.00 0.00 C ATOM 1800 O ASP A 117 -6.497 10.782 -0.384 1.00 0.00 O ATOM 1801 CB ASP A 117 -7.659 9.707 -2.749 1.00 0.00 C ATOM 1802 CG ASP A 117 -8.030 8.916 -4.013 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -7.137 8.276 -4.612 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -9.217 8.929 -4.407 1.00 0.00 O ATOM 0 H ASP A 117 -9.543 9.220 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.037 7.996 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.369 10.526 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.676 10.155 -2.897 1.00 0.00 H new ATOM 1809 N ILE A 118 -6.823 8.963 0.923 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.176 9.518 2.145 1.00 0.00 C ATOM 1811 C ILE A 118 -5.191 8.407 2.597 1.00 0.00 C ATOM 1812 O ILE A 118 -5.616 7.387 3.151 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.194 9.906 3.278 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.265 10.933 2.811 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.447 10.437 4.531 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.468 11.117 3.751 1.00 0.00 C ATOM 0 H ILE A 118 -7.176 8.015 1.049 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.674 10.462 1.930 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.727 8.991 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.780 11.900 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.635 10.625 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.171 10.699 5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.777 9.665 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.867 11.320 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.151 11.854 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.988 10.166 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.120 11.461 4.725 1.00 0.00 H new ATOM 1828 N VAL A 119 -3.884 8.633 2.392 1.00 0.00 N ATOM 1829 CA VAL A 119 -2.833 7.629 2.718 1.00 0.00 C ATOM 1830 C VAL A 119 -2.233 8.037 4.098 1.00 0.00 C ATOM 1831 O VAL A 119 -1.320 8.866 4.168 1.00 0.00 O ATOM 1832 CB VAL A 119 -1.796 7.511 1.544 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -0.642 6.531 1.856 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.433 7.066 0.202 1.00 0.00 C ATOM 0 H VAL A 119 -3.519 9.502 2.001 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.231 6.619 2.813 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.407 8.524 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.042 6.492 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.104 6.872 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.049 5.537 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.661 7.005 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.898 6.088 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.188 7.791 -0.100 1.00 0.00 H new ATOM 1844 N PHE A 120 -2.750 7.420 5.182 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.221 7.620 6.555 1.00 0.00 C ATOM 1846 C PHE A 120 -1.022 6.667 6.811 1.00 0.00 C ATOM 1847 O PHE A 120 -1.226 5.501 7.152 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.358 7.478 7.608 1.00 0.00 C ATOM 1849 CG PHE A 120 -2.964 7.540 9.108 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.078 8.511 9.594 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.476 6.586 9.996 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -1.706 8.522 10.934 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.109 6.603 11.340 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.226 7.573 11.808 1.00 0.00 C ATOM 0 H PHE A 120 -3.538 6.775 5.135 1.00 0.00 H new ATOM 0 HA PHE A 120 -1.840 8.636 6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.089 8.265 7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -3.861 6.527 7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.681 9.257 8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.160 5.832 9.637 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.013 9.267 11.296 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.509 5.864 12.019 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.945 7.588 12.851 1.00 0.00 H new ATOM 1864 N LYS A 121 0.211 7.194 6.700 1.00 0.00 N ATOM 1865 CA LYS A 121 1.448 6.429 7.011 1.00 0.00 C ATOM 1866 C LYS A 121 1.924 6.802 8.438 1.00 0.00 C ATOM 1867 O LYS A 121 2.531 7.850 8.678 1.00 0.00 O ATOM 1868 CB LYS A 121 2.532 6.667 5.925 1.00 0.00 C ATOM 1869 CG LYS A 121 2.290 5.832 4.647 1.00 0.00 C ATOM 1870 CD LYS A 121 3.031 6.318 3.383 1.00 0.00 C ATOM 1871 CE LYS A 121 4.569 6.211 3.395 1.00 0.00 C ATOM 1872 NZ LYS A 121 5.059 4.821 3.364 1.00 0.00 N ATOM 0 H LYS A 121 0.385 8.152 6.396 1.00 0.00 H new ATOM 0 HA LYS A 121 1.243 5.358 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 121 2.553 7.725 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.511 6.420 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.585 4.802 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 121 1.220 5.822 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 121 2.658 5.750 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.764 7.361 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.970 6.749 2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.953 6.704 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.877 4.727 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.302 4.179 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.344 4.575 2.395 1.00 0.00 H new ATOM 1886 N ARG A 122 1.642 5.874 9.362 1.00 0.00 N ATOM 1887 CA ARG A 122 2.130 5.900 10.765 1.00 0.00 C ATOM 1888 C ARG A 122 3.529 5.215 10.779 1.00 0.00 C ATOM 1889 O ARG A 122 3.623 3.985 10.826 1.00 0.00 O ATOM 1890 CB ARG A 122 1.052 5.132 11.585 1.00 0.00 C ATOM 1891 CG ARG A 122 1.309 4.929 13.095 1.00 0.00 C ATOM 1892 CD ARG A 122 0.641 5.965 14.016 1.00 0.00 C ATOM 1893 NE ARG A 122 0.962 5.669 15.435 1.00 0.00 N ATOM 1894 CZ ARG A 122 0.301 6.175 16.495 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -0.754 6.984 16.400 1.00 0.00 N ATOM 1896 NH2 ARG A 122 0.730 5.855 17.701 1.00 0.00 N ATOM 0 H ARG A 122 1.057 5.063 9.160 1.00 0.00 H new ATOM 0 HA ARG A 122 2.258 6.894 11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.106 5.661 11.474 1.00 0.00 H new ATOM 0 HB3 ARG A 122 0.923 4.149 11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.959 3.936 13.377 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.385 4.950 13.271 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.985 6.967 13.759 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.439 5.951 13.869 1.00 0.00 H new ATOM 0 HE ARG A 122 1.740 5.036 15.621 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.107 7.256 15.483 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.208 7.331 17.245 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.538 5.242 17.809 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.253 6.220 18.525 1.00 0.00 H new ATOM 1910 N ILE A 123 4.603 6.024 10.698 1.00 0.00 N ATOM 1911 CA ILE A 123 5.992 5.517 10.484 1.00 0.00 C ATOM 1912 C ILE A 123 6.646 5.477 11.896 1.00 0.00 C ATOM 1913 O ILE A 123 7.060 6.512 12.421 1.00 0.00 O ATOM 1914 CB ILE A 123 6.769 6.395 9.434 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.064 6.467 8.043 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.232 5.917 9.243 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.569 7.558 7.086 1.00 0.00 C ATOM 0 H ILE A 123 4.545 7.039 10.777 1.00 0.00 H new ATOM 0 HA ILE A 123 6.010 4.519 10.045 1.00 0.00 H new ATOM 0 HB ILE A 123 6.771 7.399 9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.175 5.501 7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.997 6.620 8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.729 6.552 8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.762 5.977 10.194 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.235 4.885 8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.007 7.512 6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.431 8.537 7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.628 7.400 6.880 1.00 0.00 H new ATOM 1929 N SER A 124 6.701 4.277 12.496 1.00 0.00 N ATOM 1930 CA SER A 124 7.023 4.096 13.935 1.00 0.00 C ATOM 1931 C SER A 124 8.351 3.311 14.090 1.00 0.00 C ATOM 1932 O SER A 124 8.388 2.082 14.009 1.00 0.00 O ATOM 1933 CB SER A 124 5.820 3.415 14.630 1.00 0.00 C ATOM 1934 OG SER A 124 4.783 4.355 14.893 1.00 0.00 O ATOM 0 H SER A 124 6.525 3.401 12.004 1.00 0.00 H new ATOM 0 HA SER A 124 7.183 5.057 14.424 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.437 2.613 13.999 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.146 2.957 15.564 1.00 0.00 H new ATOM 0 HG SER A 124 4.033 3.901 15.331 1.00 0.00 H new ATOM 1940 N LYS A 125 9.442 4.060 14.335 1.00 0.00 N ATOM 1941 CA LYS A 125 10.813 3.509 14.490 1.00 0.00 C ATOM 1942 C LYS A 125 11.014 2.837 15.883 1.00 0.00 C ATOM 1943 O LYS A 125 10.540 3.340 16.904 1.00 0.00 O ATOM 1944 CB LYS A 125 11.796 4.689 14.247 1.00 0.00 C ATOM 1945 CG LYS A 125 13.282 4.294 14.121 1.00 0.00 C ATOM 1946 CD LYS A 125 14.190 5.493 13.771 1.00 0.00 C ATOM 1947 CE LYS A 125 15.686 5.149 13.628 1.00 0.00 C ATOM 1948 NZ LYS A 125 15.986 4.357 12.418 1.00 0.00 N ATOM 0 H LYS A 125 9.403 5.075 14.433 1.00 0.00 H new ATOM 0 HA LYS A 125 10.997 2.712 13.769 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.497 5.208 13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.694 5.400 15.067 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.617 3.852 15.059 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.386 3.528 13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.842 5.934 12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.078 6.253 14.544 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.264 6.073 13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.011 4.594 14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.006 4.157 12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.459 3.461 12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.705 4.894 11.573 1.00 0.00 H new ATOM 1962 N ARG A 126 11.745 1.706 15.905 1.00 0.00 N ATOM 1963 CA ARG A 126 11.946 0.884 17.129 1.00 0.00 C ATOM 1964 C ARG A 126 12.932 1.563 18.122 1.00 0.00 C ATOM 1965 O ARG A 126 14.104 1.781 17.793 1.00 0.00 O ATOM 1966 CB ARG A 126 12.437 -0.523 16.697 1.00 0.00 C ATOM 1967 CG ARG A 126 12.343 -1.618 17.784 1.00 0.00 C ATOM 1968 CD ARG A 126 12.731 -3.003 17.232 1.00 0.00 C ATOM 1969 NE ARG A 126 12.673 -4.050 18.279 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.623 -5.375 18.031 1.00 0.00 C ATOM 1971 NH1 ARG A 126 12.482 -5.902 16.815 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.719 -6.200 19.055 1.00 0.00 N ATOM 0 H ARG A 126 12.215 1.331 15.081 1.00 0.00 H new ATOM 0 HA ARG A 126 11.002 0.789 17.665 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.856 -0.842 15.832 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.475 -0.444 16.373 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.998 -1.361 18.617 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.327 -1.654 18.177 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.061 -3.269 16.415 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.738 -2.960 16.817 1.00 0.00 H new ATOM 0 HE ARG A 126 12.671 -3.748 19.253 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.404 -5.292 16.001 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.452 -6.915 16.699 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.827 -5.830 19.999 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.685 -7.208 18.903 1.00 0.00 H new ATOM 1986 N ILE A 127 12.429 1.889 19.327 1.00 0.00 N ATOM 1987 CA ILE A 127 13.220 2.567 20.387 1.00 0.00 C ATOM 1988 C ILE A 127 13.110 1.617 21.591 1.00 0.00 C ATOM 1989 O ILE A 127 14.039 0.867 21.895 1.00 0.00 O ATOM 1990 CB ILE A 127 12.700 4.018 20.685 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.683 4.980 19.456 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.427 4.701 21.871 1.00 0.00 C ATOM 1993 CD1 ILE A 127 14.018 5.274 18.753 1.00 0.00 C ATOM 0 H ILE A 127 11.466 1.693 19.599 1.00 0.00 H new ATOM 0 HA ILE A 127 14.258 2.733 20.099 1.00 0.00 H new ATOM 0 HB ILE A 127 11.661 3.843 20.964 1.00 0.00 H new ATOM 0 HG12 ILE A 127 12.000 4.564 18.715 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.260 5.931 19.781 1.00 0.00 H new ATOM 0 HG21 ILE A 127 13.018 5.700 22.022 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.283 4.110 22.775 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.492 4.774 21.651 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.848 5.956 17.920 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.709 5.731 19.461 1.00 0.00 H new ATOM 0 HD13 ILE A 127 14.445 4.343 18.379 1.00 0.00 H new TER 2005 ILE A 127