USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 795 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 27 SER OG : rot 180:sc= 0.146 USER MOD Set 1.2: A 113 SER OG : rot 70:sc= 0.883 USER MOD Set 1.3: A 115 SER OG : rot 95:sc= 0.826 USER MOD Set 2.1: A 108 TYR OH : rot -135:sc= 0.875 USER MOD Set 2.2: A 118 SER OG : rot -170:sc= 0.85 USER MOD Set 3.1: A 58 MET CE :methyl 174:sc= -2.18! (180deg=-2.27!) USER MOD Set 3.2: A 104 SER OG : rot 96:sc= 0.0263 USER MOD Set 4.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 76 GLN : amide:sc= 1.11 K(o=1.1,f=-0.26) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.964 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 42 SER OG : rot 180:sc= -0.103 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 1.48 (180deg=1.46) USER MOD Single : A 45 GLN : amide:sc= -3.77! C(o=-3.8!,f=-4.5!) USER MOD Single : A 47 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.8) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.0229 (180deg=-0.242) USER MOD Single : A 57 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-3.1!) USER MOD Single : A 61 SER OG : rot 110:sc= -0.545 USER MOD Single : A 62 GLN : amide:sc= -0.0608 K(o=-0.061,f=-0.68) USER MOD Single : A 63 SER OG : rot 7:sc= 1.68 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -2.72 X(o=-2.7,f=-2.6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -90:sc= 0.469 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.21) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -145:sc= 0.84 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 102 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.24) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.468 K(o=-0.47,f=-1.6) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot -135:sc= 1.27 USER MOD Single : A 122 ASN : amide:sc= 0.617 K(o=0.62,f=-8.5!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.014) USER MOD Single : A 127 SER OG : rot -125:sc= 0.841 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.586 -1.765 11.824 1.00 0.00 N ATOM 24 CA LEU A 26 -6.285 -1.580 11.197 1.00 0.00 C ATOM 25 C LEU A 26 -6.412 -0.666 9.986 1.00 0.00 C ATOM 26 O LEU A 26 -6.318 -1.116 8.852 1.00 0.00 O ATOM 27 CB LEU A 26 -5.693 -2.926 10.761 1.00 0.00 C ATOM 28 CG LEU A 26 -5.352 -3.902 11.890 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.930 -5.241 11.312 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.249 -3.342 12.775 1.00 0.00 C ATOM 0 HA LEU A 26 -5.618 -1.124 11.929 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.400 -3.411 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.787 -2.734 10.187 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.243 -4.043 12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.690 -5.928 12.123 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.745 -5.653 10.717 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.052 -5.104 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.024 -4.053 13.570 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.354 -3.171 12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.577 -2.400 13.213 1.00 0.00 H new ATOM 42 N SER A 27 -6.638 0.612 10.223 1.00 0.00 N ATOM 43 CA SER A 27 -6.784 1.566 9.135 1.00 0.00 C ATOM 44 C SER A 27 -5.617 2.539 9.148 1.00 0.00 C ATOM 45 O SER A 27 -5.055 2.816 10.204 1.00 0.00 O ATOM 46 CB SER A 27 -8.109 2.313 9.277 1.00 0.00 C ATOM 47 OG SER A 27 -9.191 1.403 9.360 1.00 0.00 O ATOM 0 H SER A 27 -6.725 1.015 11.156 1.00 0.00 H new ATOM 0 HA SER A 27 -6.785 1.035 8.183 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.085 2.939 10.169 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.251 2.977 8.425 1.00 0.00 H new ATOM 0 HG SER A 27 -10.030 1.900 9.452 1.00 0.00 H new ATOM 53 N TRP A 28 -5.250 3.067 7.984 1.00 0.00 N ATOM 54 CA TRP A 28 -4.082 3.938 7.902 1.00 0.00 C ATOM 55 C TRP A 28 -4.366 5.328 8.466 1.00 0.00 C ATOM 56 O TRP A 28 -3.571 6.249 8.297 1.00 0.00 O ATOM 57 CB TRP A 28 -3.521 4.020 6.468 1.00 0.00 C ATOM 58 CG TRP A 28 -4.431 4.632 5.428 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.366 5.614 5.607 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.449 4.319 4.028 1.00 0.00 C ATOM 61 NE1 TRP A 28 -5.973 5.914 4.412 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.425 5.136 3.427 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.735 3.425 3.224 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.706 5.081 2.063 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.014 3.372 1.872 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.992 4.199 1.302 1.00 0.00 C ATOM 0 H TRP A 28 -5.734 2.911 7.100 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.312 3.484 8.526 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.596 4.596 6.495 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.260 3.012 6.144 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.594 6.085 6.552 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.712 6.604 4.280 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.977 2.786 3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.462 5.714 1.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.470 2.682 1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.185 4.138 0.241 1.00 0.00 H new ATOM 77 N TYR A 29 -5.507 5.473 9.128 1.00 0.00 N ATOM 78 CA TYR A 29 -5.832 6.699 9.835 1.00 0.00 C ATOM 79 C TYR A 29 -5.427 6.578 11.298 1.00 0.00 C ATOM 80 O TYR A 29 -5.301 7.578 12.008 1.00 0.00 O ATOM 81 CB TYR A 29 -7.326 7.013 9.724 1.00 0.00 C ATOM 82 CG TYR A 29 -7.751 7.393 8.328 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.416 8.632 7.803 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.474 6.515 7.531 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.790 8.989 6.528 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.851 6.866 6.250 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.506 8.104 5.756 1.00 0.00 C ATOM 88 OH TYR A 29 -8.874 8.460 4.484 1.00 0.00 O ATOM 0 H TYR A 29 -6.225 4.751 9.188 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.278 7.518 9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.898 6.143 10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.571 7.827 10.406 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.852 9.329 8.405 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.745 5.544 7.919 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.523 9.959 6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.413 6.174 5.640 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.373 7.725 4.070 1.00 0.00 H new ATOM 98 N ASP A 30 -5.228 5.343 11.745 1.00 0.00 N ATOM 99 CA ASP A 30 -4.763 5.089 13.097 1.00 0.00 C ATOM 100 C ASP A 30 -3.319 5.546 13.223 1.00 0.00 C ATOM 101 O ASP A 30 -2.482 5.240 12.373 1.00 0.00 O ATOM 102 CB ASP A 30 -4.876 3.600 13.444 1.00 0.00 C ATOM 103 CG ASP A 30 -6.310 3.116 13.547 1.00 0.00 C ATOM 104 OD1 ASP A 30 -6.937 2.847 12.500 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.813 2.989 14.684 1.00 0.00 O ATOM 0 H ASP A 30 -5.383 4.503 11.187 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.388 5.646 13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.356 3.016 12.684 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.368 3.415 14.391 1.00 0.00 H new ATOM 110 N PRO A 31 -3.012 6.304 14.279 1.00 0.00 N ATOM 111 CA PRO A 31 -1.684 6.886 14.473 1.00 0.00 C ATOM 112 C PRO A 31 -0.628 5.836 14.791 1.00 0.00 C ATOM 113 O PRO A 31 0.567 6.077 14.632 1.00 0.00 O ATOM 114 CB PRO A 31 -1.880 7.834 15.657 1.00 0.00 C ATOM 115 CG PRO A 31 -3.049 7.290 16.396 1.00 0.00 C ATOM 116 CD PRO A 31 -3.936 6.651 15.368 1.00 0.00 C ATOM 0 HA PRO A 31 -1.321 7.381 13.572 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.993 7.864 16.289 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.066 8.854 15.320 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.732 6.562 17.143 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.577 8.082 16.927 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.437 5.768 15.765 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.715 7.335 15.030 1.00 0.00 H new ATOM 124 N ASP A 32 -1.072 4.668 15.230 1.00 0.00 N ATOM 125 CA ASP A 32 -0.159 3.589 15.577 1.00 0.00 C ATOM 126 C ASP A 32 0.005 2.622 14.411 1.00 0.00 C ATOM 127 O ASP A 32 0.759 1.652 14.501 1.00 0.00 O ATOM 128 CB ASP A 32 -0.663 2.836 16.809 1.00 0.00 C ATOM 129 CG ASP A 32 -1.916 2.028 16.532 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.973 2.636 16.250 1.00 0.00 O ATOM 131 OD2 ASP A 32 -1.850 0.785 16.604 1.00 0.00 O ATOM 0 H ASP A 32 -2.059 4.443 15.354 1.00 0.00 H new ATOM 0 HA ASP A 32 0.812 4.030 15.803 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.121 2.170 17.168 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.865 3.550 17.608 1.00 0.00 H new ATOM 136 N PHE A 33 -0.696 2.894 13.313 1.00 0.00 N ATOM 137 CA PHE A 33 -0.623 2.041 12.139 1.00 0.00 C ATOM 138 C PHE A 33 0.680 2.303 11.398 1.00 0.00 C ATOM 139 O PHE A 33 0.844 3.340 10.751 1.00 0.00 O ATOM 140 CB PHE A 33 -1.815 2.288 11.212 1.00 0.00 C ATOM 141 CG PHE A 33 -1.946 1.270 10.116 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.572 0.059 10.359 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.447 1.521 8.847 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.702 -0.882 9.358 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.575 0.584 7.841 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.202 -0.620 8.098 1.00 0.00 C ATOM 0 H PHE A 33 -1.318 3.697 13.216 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.654 1.000 12.461 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.730 2.292 11.804 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.719 3.278 10.767 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.963 -0.152 11.343 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.953 2.459 8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.194 -1.822 9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.186 0.792 6.855 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.301 -1.356 7.314 1.00 0.00 H new ATOM 156 N GLN A 34 1.604 1.368 11.504 1.00 0.00 N ATOM 157 CA GLN A 34 2.915 1.524 10.901 1.00 0.00 C ATOM 158 C GLN A 34 2.898 1.053 9.452 1.00 0.00 C ATOM 159 O GLN A 34 2.342 0.003 9.137 1.00 0.00 O ATOM 160 CB GLN A 34 3.963 0.751 11.705 1.00 0.00 C ATOM 161 CG GLN A 34 4.116 1.248 13.133 1.00 0.00 C ATOM 162 CD GLN A 34 5.125 0.450 13.936 1.00 0.00 C ATOM 163 OE1 GLN A 34 6.104 -0.066 13.397 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.886 0.340 15.233 1.00 0.00 N ATOM 0 H GLN A 34 1.471 0.489 12.004 1.00 0.00 H new ATOM 0 HA GLN A 34 3.178 2.582 10.913 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.691 -0.304 11.723 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.925 0.823 11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.420 2.295 13.116 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.148 1.205 13.632 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.062 0.784 15.639 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.526 -0.188 15.826 1.00 0.00 H new ATOM 173 N ALA A 35 3.493 1.847 8.576 1.00 0.00 N ATOM 174 CA ALA A 35 3.572 1.516 7.161 1.00 0.00 C ATOM 175 C ALA A 35 4.820 2.136 6.560 1.00 0.00 C ATOM 176 O ALA A 35 5.231 3.219 6.973 1.00 0.00 O ATOM 177 CB ALA A 35 2.329 2.001 6.423 1.00 0.00 C ATOM 0 H ALA A 35 3.932 2.734 8.823 1.00 0.00 H new ATOM 0 HA ALA A 35 3.626 0.432 7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.409 1.743 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.445 1.524 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.243 3.083 6.527 1.00 0.00 H new ATOM 183 N ARG A 36 5.420 1.460 5.596 1.00 0.00 N ATOM 184 CA ARG A 36 6.645 1.944 4.989 1.00 0.00 C ATOM 185 C ARG A 36 6.650 1.689 3.494 1.00 0.00 C ATOM 186 O ARG A 36 5.927 0.829 2.990 1.00 0.00 O ATOM 187 CB ARG A 36 7.868 1.270 5.617 1.00 0.00 C ATOM 188 CG ARG A 36 7.920 -0.233 5.387 1.00 0.00 C ATOM 189 CD ARG A 36 9.269 -0.813 5.771 1.00 0.00 C ATOM 190 NE ARG A 36 9.703 -0.379 7.097 1.00 0.00 N ATOM 191 CZ ARG A 36 10.869 -0.707 7.630 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.706 -1.488 6.965 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.208 -0.248 8.821 1.00 0.00 N ATOM 0 H ARG A 36 5.079 0.576 5.218 1.00 0.00 H new ATOM 0 HA ARG A 36 6.694 3.018 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.772 1.723 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.870 1.465 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.136 -0.718 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.717 -0.448 4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.214 -1.901 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.013 -0.516 5.032 1.00 0.00 H new ATOM 0 HE ARG A 36 9.072 0.209 7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.452 -1.837 6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.604 -1.740 7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.570 0.361 9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.108 -0.503 9.229 1.00 0.00 H new ATOM 206 N LEU A 37 7.465 2.451 2.796 1.00 0.00 N ATOM 207 CA LEU A 37 7.700 2.234 1.387 1.00 0.00 C ATOM 208 C LEU A 37 9.041 1.542 1.221 1.00 0.00 C ATOM 209 O LEU A 37 10.019 1.916 1.876 1.00 0.00 O ATOM 210 CB LEU A 37 7.683 3.568 0.642 1.00 0.00 C ATOM 211 CG LEU A 37 6.389 4.367 0.800 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.503 5.717 0.115 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.217 3.588 0.231 1.00 0.00 C ATOM 0 H LEU A 37 7.982 3.237 3.190 1.00 0.00 H new ATOM 0 HA LEU A 37 6.914 1.606 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.516 4.177 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.851 3.380 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 37 6.218 4.535 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.571 6.268 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.322 6.283 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.698 5.571 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.302 4.168 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.389 3.394 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.118 2.641 0.762 1.00 0.00 H new ATOM 225 N THR A 38 9.067 0.511 0.387 1.00 0.00 N ATOM 226 CA THR A 38 10.280 -0.262 0.149 1.00 0.00 C ATOM 227 C THR A 38 11.461 0.637 -0.189 1.00 0.00 C ATOM 228 O THR A 38 11.311 1.634 -0.901 1.00 0.00 O ATOM 229 CB THR A 38 10.092 -1.247 -1.017 1.00 0.00 C ATOM 230 OG1 THR A 38 9.685 -0.524 -2.184 1.00 0.00 O ATOM 231 CG2 THR A 38 9.068 -2.320 -0.687 1.00 0.00 C ATOM 0 H THR A 38 8.255 0.188 -0.140 1.00 0.00 H new ATOM 0 HA THR A 38 10.482 -0.805 1.072 1.00 0.00 H new ATOM 0 HB THR A 38 11.043 -1.747 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.566 -1.148 -2.930 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.963 -2.996 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.399 -2.882 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.106 -1.852 -0.475 1.00 0.00 H new ATOM 239 N ARG A 39 12.629 0.262 0.314 1.00 0.00 N ATOM 240 CA ARG A 39 13.875 0.967 0.031 1.00 0.00 C ATOM 241 C ARG A 39 14.298 0.764 -1.426 1.00 0.00 C ATOM 242 O ARG A 39 15.343 0.179 -1.716 1.00 0.00 O ATOM 243 CB ARG A 39 14.964 0.483 0.995 1.00 0.00 C ATOM 244 CG ARG A 39 14.996 -1.033 1.136 1.00 0.00 C ATOM 245 CD ARG A 39 15.752 -1.490 2.377 1.00 0.00 C ATOM 246 NE ARG A 39 15.262 -0.882 3.626 1.00 0.00 N ATOM 247 CZ ARG A 39 13.997 -0.934 4.067 1.00 0.00 C ATOM 248 NH1 ARG A 39 13.021 -1.394 3.293 1.00 0.00 N ATOM 249 NH2 ARG A 39 13.702 -0.466 5.269 1.00 0.00 N ATOM 0 H ARG A 39 12.741 -0.542 0.932 1.00 0.00 H new ATOM 0 HA ARG A 39 13.722 2.036 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.935 0.831 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.801 0.931 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.975 -1.412 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.462 -1.467 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.678 -2.574 2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.809 -1.251 2.257 1.00 0.00 H new ATOM 0 HE ARG A 39 15.939 -0.381 4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.228 -1.715 2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.064 -1.427 3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.436 -0.068 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.741 -0.503 5.609 1.00 0.00 H new ATOM 262 N SER A 40 13.466 1.250 -2.335 1.00 0.00 N ATOM 263 CA SER A 40 13.721 1.132 -3.759 1.00 0.00 C ATOM 264 C SER A 40 14.582 2.299 -4.235 1.00 0.00 C ATOM 265 O SER A 40 15.793 2.157 -4.398 1.00 0.00 O ATOM 266 CB SER A 40 12.396 1.084 -4.533 1.00 0.00 C ATOM 267 OG SER A 40 12.613 0.809 -5.906 1.00 0.00 O ATOM 0 H SER A 40 12.599 1.735 -2.105 1.00 0.00 H new ATOM 0 HA SER A 40 14.262 0.204 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.749 0.319 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.876 2.036 -4.428 1.00 0.00 H new ATOM 0 HG SER A 40 11.753 0.783 -6.374 1.00 0.00 H new ATOM 273 N ASN A 41 13.958 3.454 -4.430 1.00 0.00 N ATOM 274 CA ASN A 41 14.686 4.641 -4.859 1.00 0.00 C ATOM 275 C ASN A 41 14.923 5.573 -3.675 1.00 0.00 C ATOM 276 O ASN A 41 16.055 5.980 -3.405 1.00 0.00 O ATOM 277 CB ASN A 41 13.929 5.381 -5.966 1.00 0.00 C ATOM 278 CG ASN A 41 14.710 6.568 -6.501 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.941 6.567 -6.502 1.00 0.00 O ATOM 280 ND2 ASN A 41 14.004 7.582 -6.971 1.00 0.00 N ATOM 0 H ASN A 41 12.956 3.594 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 41 15.648 4.320 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.716 4.691 -6.782 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.969 5.724 -5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.478 8.401 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.985 7.546 -6.953 1.00 0.00 H new ATOM 287 N SER A 42 13.853 5.892 -2.966 1.00 0.00 N ATOM 288 CA SER A 42 13.937 6.756 -1.805 1.00 0.00 C ATOM 289 C SER A 42 12.831 6.401 -0.822 1.00 0.00 C ATOM 290 O SER A 42 11.947 5.604 -1.142 1.00 0.00 O ATOM 291 CB SER A 42 13.836 8.225 -2.231 1.00 0.00 C ATOM 292 OG SER A 42 14.057 9.102 -1.139 1.00 0.00 O ATOM 0 H SER A 42 12.911 5.562 -3.178 1.00 0.00 H new ATOM 0 HA SER A 42 14.900 6.610 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.566 8.428 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.850 8.414 -2.656 1.00 0.00 H new ATOM 0 HG SER A 42 13.987 10.030 -1.446 1.00 0.00 H new ATOM 298 N LYS A 43 12.880 6.995 0.358 1.00 0.00 N ATOM 299 CA LYS A 43 11.892 6.736 1.400 1.00 0.00 C ATOM 300 C LYS A 43 10.500 7.213 0.983 1.00 0.00 C ATOM 301 O LYS A 43 9.489 6.707 1.468 1.00 0.00 O ATOM 302 CB LYS A 43 12.326 7.432 2.700 1.00 0.00 C ATOM 303 CG LYS A 43 11.276 7.419 3.804 1.00 0.00 C ATOM 304 CD LYS A 43 11.787 8.084 5.076 1.00 0.00 C ATOM 305 CE LYS A 43 12.278 9.508 4.826 1.00 0.00 C ATOM 306 NZ LYS A 43 11.201 10.397 4.312 1.00 0.00 N ATOM 0 H LYS A 43 13.600 7.667 0.623 1.00 0.00 H new ATOM 0 HA LYS A 43 11.836 5.659 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.231 6.950 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.585 8.466 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.379 7.934 3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.989 6.390 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.990 8.102 5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.600 7.489 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.674 9.921 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.100 9.486 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.579 11.356 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.851 10.029 3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.420 10.428 4.998 1.00 0.00 H new ATOM 319 N CYS A 44 10.448 8.165 0.066 1.00 0.00 N ATOM 320 CA CYS A 44 9.187 8.799 -0.277 1.00 0.00 C ATOM 321 C CYS A 44 8.493 8.136 -1.465 1.00 0.00 C ATOM 322 O CYS A 44 7.401 8.547 -1.840 1.00 0.00 O ATOM 323 CB CYS A 44 9.406 10.286 -0.549 1.00 0.00 C ATOM 324 SG CYS A 44 10.008 11.210 0.904 1.00 0.00 S ATOM 0 H CYS A 44 11.256 8.513 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 44 8.524 8.677 0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.123 10.397 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.469 10.727 -0.888 1.00 0.00 H new ATOM 329 N GLN A 45 9.098 7.114 -2.057 1.00 0.00 N ATOM 330 CA GLN A 45 8.442 6.407 -3.155 1.00 0.00 C ATOM 331 C GLN A 45 8.949 4.976 -3.288 1.00 0.00 C ATOM 332 O GLN A 45 10.158 4.724 -3.321 1.00 0.00 O ATOM 333 CB GLN A 45 8.595 7.154 -4.490 1.00 0.00 C ATOM 334 CG GLN A 45 10.023 7.506 -4.863 1.00 0.00 C ATOM 335 CD GLN A 45 10.443 8.884 -4.380 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.612 9.118 -4.092 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.492 9.805 -4.289 1.00 0.00 N ATOM 0 H GLN A 45 10.021 6.760 -1.805 1.00 0.00 H new ATOM 0 HA GLN A 45 7.381 6.370 -2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.168 6.541 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.009 8.072 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.697 6.759 -4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.131 7.459 -5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.531 9.572 -4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.722 10.746 -3.970 1.00 0.00 H new ATOM 346 N GLY A 46 8.006 4.047 -3.363 1.00 0.00 N ATOM 347 CA GLY A 46 8.334 2.641 -3.495 1.00 0.00 C ATOM 348 C GLY A 46 7.102 1.768 -3.350 1.00 0.00 C ATOM 349 O GLY A 46 5.975 2.251 -3.489 1.00 0.00 O ATOM 0 H GLY A 46 7.006 4.246 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.795 2.463 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.068 2.365 -2.738 1.00 0.00 H new ATOM 353 N GLN A 47 7.311 0.489 -3.066 1.00 0.00 N ATOM 354 CA GLN A 47 6.210 -0.444 -2.878 1.00 0.00 C ATOM 355 C GLN A 47 5.693 -0.322 -1.442 1.00 0.00 C ATOM 356 O GLN A 47 6.476 -0.079 -0.521 1.00 0.00 O ATOM 357 CB GLN A 47 6.688 -1.870 -3.194 1.00 0.00 C ATOM 358 CG GLN A 47 5.573 -2.887 -3.390 1.00 0.00 C ATOM 359 CD GLN A 47 5.002 -3.412 -2.089 1.00 0.00 C ATOM 360 OE1 GLN A 47 5.710 -3.535 -1.094 1.00 0.00 O ATOM 361 NE2 GLN A 47 3.715 -3.711 -2.085 1.00 0.00 N ATOM 0 H GLN A 47 8.237 0.074 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 47 5.389 -0.211 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.298 -1.842 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.333 -2.210 -2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.772 -2.430 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.954 -3.724 -3.975 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.162 -3.594 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.275 -4.058 -1.233 1.00 0.00 H new ATOM 370 N LEU A 48 4.386 -0.470 -1.256 1.00 0.00 N ATOM 371 CA LEU A 48 3.775 -0.230 0.048 1.00 0.00 C ATOM 372 C LEU A 48 3.765 -1.488 0.915 1.00 0.00 C ATOM 373 O LEU A 48 3.073 -2.465 0.610 1.00 0.00 O ATOM 374 CB LEU A 48 2.345 0.290 -0.115 1.00 0.00 C ATOM 375 CG LEU A 48 1.625 0.650 1.194 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.319 1.810 1.897 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.169 0.990 0.927 1.00 0.00 C ATOM 0 H LEU A 48 3.732 -0.753 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 48 4.382 0.523 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.368 1.173 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.758 -0.466 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 48 1.665 -0.220 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.790 2.045 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.347 1.532 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.317 2.684 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.324 1.242 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.113 1.841 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.328 0.132 0.475 1.00 0.00 H new ATOM 389 N GLU A 49 4.533 -1.446 1.993 1.00 0.00 N ATOM 390 CA GLU A 49 4.509 -2.495 3.001 1.00 0.00 C ATOM 391 C GLU A 49 3.847 -1.966 4.263 1.00 0.00 C ATOM 392 O GLU A 49 4.227 -0.914 4.777 1.00 0.00 O ATOM 393 CB GLU A 49 5.922 -2.978 3.334 1.00 0.00 C ATOM 394 CG GLU A 49 6.640 -3.636 2.174 1.00 0.00 C ATOM 395 CD GLU A 49 8.064 -4.021 2.522 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.950 -3.140 2.505 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.304 -5.211 2.821 1.00 0.00 O ATOM 0 H GLU A 49 5.187 -0.689 2.193 1.00 0.00 H new ATOM 0 HA GLU A 49 3.944 -3.338 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.513 -2.129 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.867 -3.685 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.090 -4.526 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.648 -2.956 1.322 1.00 0.00 H new ATOM 404 N VAL A 50 2.856 -2.682 4.755 1.00 0.00 N ATOM 405 CA VAL A 50 2.144 -2.262 5.950 1.00 0.00 C ATOM 406 C VAL A 50 2.437 -3.197 7.112 1.00 0.00 C ATOM 407 O VAL A 50 2.699 -4.385 6.915 1.00 0.00 O ATOM 408 CB VAL A 50 0.619 -2.182 5.718 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.290 -1.116 4.683 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.062 -3.531 5.291 1.00 0.00 C ATOM 0 H VAL A 50 2.524 -3.556 4.348 1.00 0.00 H new ATOM 0 HA VAL A 50 2.501 -1.262 6.194 1.00 0.00 H new ATOM 0 HB VAL A 50 0.148 -1.905 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.789 -1.075 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.645 -0.147 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.778 -1.362 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.013 -3.447 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.541 -3.845 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.259 -4.269 6.069 1.00 0.00 H new ATOM 420 N TYR A 51 2.414 -2.650 8.315 1.00 0.00 N ATOM 421 CA TYR A 51 2.704 -3.413 9.515 1.00 0.00 C ATOM 422 C TYR A 51 1.406 -3.828 10.192 1.00 0.00 C ATOM 423 O TYR A 51 0.754 -3.027 10.861 1.00 0.00 O ATOM 424 CB TYR A 51 3.564 -2.576 10.467 1.00 0.00 C ATOM 425 CG TYR A 51 4.007 -3.302 11.721 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.128 -4.126 11.716 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.309 -3.155 12.911 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.535 -4.781 12.863 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.711 -3.805 14.058 1.00 0.00 C ATOM 430 CZ TYR A 51 4.823 -4.618 14.031 1.00 0.00 C ATOM 431 OH TYR A 51 5.221 -5.269 15.179 1.00 0.00 O ATOM 0 H TYR A 51 2.195 -1.669 8.487 1.00 0.00 H new ATOM 0 HA TYR A 51 3.257 -4.313 9.245 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.448 -2.233 9.930 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.003 -1.688 10.757 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.689 -4.256 10.802 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.436 -2.520 12.939 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.407 -5.418 12.844 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.156 -3.677 14.976 1.00 0.00 H new ATOM 0 HH TYR A 51 4.610 -5.044 15.911 1.00 0.00 H new ATOM 441 N LEU A 52 1.030 -5.077 9.990 1.00 0.00 N ATOM 442 CA LEU A 52 -0.169 -5.623 10.597 1.00 0.00 C ATOM 443 C LEU A 52 0.214 -6.450 11.822 1.00 0.00 C ATOM 444 O LEU A 52 1.300 -6.267 12.375 1.00 0.00 O ATOM 445 CB LEU A 52 -0.947 -6.464 9.576 1.00 0.00 C ATOM 446 CG LEU A 52 -1.369 -5.724 8.302 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.130 -6.652 7.367 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.211 -4.502 8.639 1.00 0.00 C ATOM 0 H LEU A 52 1.543 -5.737 9.405 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.820 -4.810 10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.334 -7.320 9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.841 -6.858 10.060 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.466 -5.388 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.420 -6.106 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.493 -7.492 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.023 -7.023 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.498 -3.993 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.107 -4.814 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.632 -3.822 9.264 1.00 0.00 H new ATOM 460 N LYS A 53 -0.655 -7.357 12.247 1.00 0.00 N ATOM 461 CA LYS A 53 -0.407 -8.127 13.462 1.00 0.00 C ATOM 462 C LYS A 53 0.738 -9.118 13.265 1.00 0.00 C ATOM 463 O LYS A 53 1.487 -9.413 14.200 1.00 0.00 O ATOM 464 CB LYS A 53 -1.679 -8.857 13.907 1.00 0.00 C ATOM 465 CG LYS A 53 -2.839 -7.922 14.214 1.00 0.00 C ATOM 466 CD LYS A 53 -4.048 -8.684 14.729 1.00 0.00 C ATOM 467 CE LYS A 53 -5.216 -7.754 15.013 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.874 -6.723 16.027 1.00 0.00 N ATOM 0 H LYS A 53 -1.531 -7.578 11.774 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.115 -7.429 14.246 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.981 -9.553 13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.456 -9.450 14.794 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.528 -7.187 14.956 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.111 -7.371 13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.348 -9.432 13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.780 -9.221 15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.523 -7.265 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.067 -8.338 15.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.744 -6.255 16.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.400 -7.175 16.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.239 -6.017 15.603 1.00 0.00 H new ATOM 481 N ASP A 54 0.875 -9.630 12.048 1.00 0.00 N ATOM 482 CA ASP A 54 1.951 -10.573 11.737 1.00 0.00 C ATOM 483 C ASP A 54 3.246 -9.830 11.412 1.00 0.00 C ATOM 484 O ASP A 54 4.330 -10.416 11.425 1.00 0.00 O ATOM 485 CB ASP A 54 1.571 -11.489 10.562 1.00 0.00 C ATOM 486 CG ASP A 54 1.716 -10.815 9.208 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.794 -10.080 8.794 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.752 -11.031 8.542 1.00 0.00 O ATOM 0 H ASP A 54 0.261 -9.412 11.263 1.00 0.00 H new ATOM 0 HA ASP A 54 2.107 -11.191 12.621 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.198 -12.380 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.540 -11.821 10.687 1.00 0.00 H new ATOM 493 N GLY A 55 3.132 -8.539 11.134 1.00 0.00 N ATOM 494 CA GLY A 55 4.296 -7.753 10.791 1.00 0.00 C ATOM 495 C GLY A 55 4.151 -7.070 9.451 1.00 0.00 C ATOM 496 O GLY A 55 3.062 -6.618 9.097 1.00 0.00 O ATOM 0 H GLY A 55 2.252 -8.023 11.140 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.465 -7.002 11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.175 -8.397 10.775 1.00 0.00 H new ATOM 500 N TRP A 56 5.235 -7.017 8.693 1.00 0.00 N ATOM 501 CA TRP A 56 5.242 -6.303 7.425 1.00 0.00 C ATOM 502 C TRP A 56 4.662 -7.159 6.310 1.00 0.00 C ATOM 503 O TRP A 56 5.060 -8.308 6.116 1.00 0.00 O ATOM 504 CB TRP A 56 6.659 -5.852 7.065 1.00 0.00 C ATOM 505 CG TRP A 56 7.227 -4.859 8.035 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.199 -5.084 8.966 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.841 -3.484 8.182 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.449 -3.935 9.674 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.629 -2.940 9.214 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.910 -2.660 7.542 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.512 -1.611 9.616 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.796 -1.344 7.944 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.592 -0.830 8.971 1.00 0.00 C ATOM 0 H TRP A 56 6.122 -7.460 8.934 1.00 0.00 H new ATOM 0 HA TRP A 56 4.613 -5.420 7.538 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.312 -6.724 7.024 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.651 -5.412 6.068 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.699 -6.028 9.123 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.135 -3.838 10.422 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.290 -3.047 6.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.126 -1.211 10.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.079 -0.701 7.456 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.479 0.204 9.261 1.00 0.00 H new ATOM 524 N HIS A 57 3.709 -6.592 5.589 1.00 0.00 N ATOM 525 CA HIS A 57 3.082 -7.277 4.474 1.00 0.00 C ATOM 526 C HIS A 57 2.929 -6.333 3.288 1.00 0.00 C ATOM 527 O HIS A 57 2.488 -5.192 3.443 1.00 0.00 O ATOM 528 CB HIS A 57 1.715 -7.834 4.883 1.00 0.00 C ATOM 529 CG HIS A 57 1.654 -9.332 4.895 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.528 -10.083 6.047 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.687 -10.221 3.876 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.486 -11.364 5.731 1.00 0.00 C ATOM 533 NE2 HIS A 57 1.577 -11.474 4.421 1.00 0.00 N ATOM 0 H HIS A 57 3.351 -5.652 5.759 1.00 0.00 H new ATOM 0 HA HIS A 57 3.723 -8.109 4.180 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.463 -7.461 5.876 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.958 -7.454 4.197 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.476 -9.707 6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.782 -9.987 2.826 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.393 -12.183 6.428 1.00 0.00 H new ATOM 541 N MET A 58 3.303 -6.814 2.111 1.00 0.00 N ATOM 542 CA MET A 58 3.202 -6.033 0.886 1.00 0.00 C ATOM 543 C MET A 58 1.747 -5.928 0.443 1.00 0.00 C ATOM 544 O MET A 58 1.007 -6.908 0.497 1.00 0.00 O ATOM 545 CB MET A 58 4.023 -6.685 -0.228 1.00 0.00 C ATOM 546 CG MET A 58 5.520 -6.706 0.030 1.00 0.00 C ATOM 547 SD MET A 58 6.412 -7.722 -1.165 1.00 0.00 S ATOM 548 CE MET A 58 5.741 -7.097 -2.707 1.00 0.00 C ATOM 0 H MET A 58 3.683 -7.751 1.978 1.00 0.00 H new ATOM 0 HA MET A 58 3.591 -5.034 1.084 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.676 -7.709 -0.368 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.834 -6.154 -1.161 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.906 -5.687 -0.004 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.707 -7.084 1.035 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.271 -7.551 -3.545 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.682 -7.346 -2.770 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.863 -6.014 -2.744 1.00 0.00 H new ATOM 558 N VAL A 59 1.334 -4.747 0.016 1.00 0.00 N ATOM 559 CA VAL A 59 -0.023 -4.564 -0.481 1.00 0.00 C ATOM 560 C VAL A 59 -0.051 -4.666 -2.007 1.00 0.00 C ATOM 561 O VAL A 59 0.842 -4.159 -2.692 1.00 0.00 O ATOM 562 CB VAL A 59 -0.618 -3.207 -0.034 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.077 -3.081 -0.454 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.489 -3.035 1.472 1.00 0.00 C ATOM 0 H VAL A 59 1.911 -3.906 0.002 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.636 -5.358 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.052 -2.417 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.468 -2.118 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.151 -3.152 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.658 -3.883 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.913 -2.075 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.025 -3.839 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.564 -3.068 1.753 1.00 0.00 H new ATOM 574 N CYS A 60 -1.061 -5.345 -2.534 1.00 0.00 N ATOM 575 CA CYS A 60 -1.221 -5.490 -3.974 1.00 0.00 C ATOM 576 C CYS A 60 -2.252 -4.503 -4.520 1.00 0.00 C ATOM 577 O CYS A 60 -3.177 -4.101 -3.819 1.00 0.00 O ATOM 578 CB CYS A 60 -1.633 -6.920 -4.324 1.00 0.00 C ATOM 579 SG CYS A 60 -0.260 -8.116 -4.325 1.00 0.00 S ATOM 0 H CYS A 60 -1.785 -5.806 -1.983 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.259 -5.271 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.389 -7.253 -3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.101 -6.920 -5.309 1.00 0.00 H new ATOM 584 N SER A 61 -2.073 -4.130 -5.784 1.00 0.00 N ATOM 585 CA SER A 61 -2.939 -3.166 -6.457 1.00 0.00 C ATOM 586 C SER A 61 -4.301 -3.768 -6.794 1.00 0.00 C ATOM 587 O SER A 61 -5.191 -3.068 -7.259 1.00 0.00 O ATOM 588 CB SER A 61 -2.265 -2.680 -7.737 1.00 0.00 C ATOM 589 OG SER A 61 -0.916 -2.332 -7.493 1.00 0.00 O ATOM 0 H SER A 61 -1.321 -4.489 -6.372 1.00 0.00 H new ATOM 0 HA SER A 61 -3.101 -2.330 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.312 -3.460 -8.497 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.802 -1.817 -8.131 1.00 0.00 H new ATOM 0 HG SER A 61 -0.327 -2.988 -7.920 1.00 0.00 H new ATOM 595 N GLN A 62 -4.458 -5.065 -6.561 1.00 0.00 N ATOM 596 CA GLN A 62 -5.732 -5.738 -6.790 1.00 0.00 C ATOM 597 C GLN A 62 -6.599 -5.627 -5.530 1.00 0.00 C ATOM 598 O GLN A 62 -7.517 -6.417 -5.300 1.00 0.00 O ATOM 599 CB GLN A 62 -5.487 -7.207 -7.158 1.00 0.00 C ATOM 600 CG GLN A 62 -6.710 -7.929 -7.706 1.00 0.00 C ATOM 601 CD GLN A 62 -7.145 -7.420 -9.066 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.328 -6.985 -9.880 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.437 -7.470 -9.319 1.00 0.00 N ATOM 0 H GLN A 62 -3.717 -5.674 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.257 -5.262 -7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.689 -7.255 -7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.133 -7.737 -6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.493 -8.995 -7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.535 -7.817 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.080 -7.837 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.794 -7.141 -10.216 1.00 0.00 H new ATOM 612 N SER A 63 -6.291 -4.625 -4.722 1.00 0.00 N ATOM 613 CA SER A 63 -6.960 -4.415 -3.455 1.00 0.00 C ATOM 614 C SER A 63 -7.974 -3.279 -3.588 1.00 0.00 C ATOM 615 O SER A 63 -7.799 -2.385 -4.413 1.00 0.00 O ATOM 616 CB SER A 63 -5.919 -4.075 -2.381 1.00 0.00 C ATOM 617 OG SER A 63 -6.477 -4.109 -1.082 1.00 0.00 O ATOM 0 H SER A 63 -5.569 -3.935 -4.930 1.00 0.00 H new ATOM 0 HA SER A 63 -7.489 -5.323 -3.165 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.091 -4.782 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.507 -3.085 -2.574 1.00 0.00 H new ATOM 0 HG SER A 63 -7.396 -4.445 -1.130 1.00 0.00 H new ATOM 623 N TRP A 64 -9.027 -3.337 -2.778 1.00 0.00 N ATOM 624 CA TRP A 64 -10.067 -2.301 -2.737 1.00 0.00 C ATOM 625 C TRP A 64 -10.686 -2.053 -4.115 1.00 0.00 C ATOM 626 O TRP A 64 -11.092 -0.934 -4.431 1.00 0.00 O ATOM 627 CB TRP A 64 -9.512 -0.986 -2.172 1.00 0.00 C ATOM 628 CG TRP A 64 -8.882 -1.125 -0.816 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.506 -1.426 0.361 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.499 -0.952 -0.502 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.590 -1.460 1.386 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.350 -1.171 0.879 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.369 -0.637 -1.260 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.118 -1.082 1.515 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.147 -0.548 -0.628 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.030 -0.772 0.747 1.00 0.00 C ATOM 0 H TRP A 64 -9.188 -4.105 -2.127 1.00 0.00 H new ATOM 0 HA TRP A 64 -10.852 -2.670 -2.077 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.773 -0.587 -2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.320 -0.257 -2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.564 -1.610 0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.799 -1.666 2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.451 -0.466 -2.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.023 -1.252 2.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.267 -0.302 -1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.059 -0.699 1.213 1.00 0.00 H new ATOM 647 N GLY A 65 -10.763 -3.104 -4.921 1.00 0.00 N ATOM 648 CA GLY A 65 -11.363 -2.989 -6.237 1.00 0.00 C ATOM 649 C GLY A 65 -10.540 -2.152 -7.197 1.00 0.00 C ATOM 650 O GLY A 65 -11.092 -1.495 -8.079 1.00 0.00 O ATOM 0 H GLY A 65 -10.420 -4.036 -4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.497 -3.986 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.355 -2.549 -6.140 1.00 0.00 H new ATOM 654 N ARG A 66 -9.226 -2.158 -7.025 1.00 0.00 N ATOM 655 CA ARG A 66 -8.342 -1.449 -7.934 1.00 0.00 C ATOM 656 C ARG A 66 -7.775 -2.415 -8.968 1.00 0.00 C ATOM 657 O ARG A 66 -7.869 -3.634 -8.807 1.00 0.00 O ATOM 658 CB ARG A 66 -7.211 -0.761 -7.161 1.00 0.00 C ATOM 659 CG ARG A 66 -7.682 0.326 -6.205 1.00 0.00 C ATOM 660 CD ARG A 66 -8.188 1.558 -6.946 1.00 0.00 C ATOM 661 NE ARG A 66 -8.677 2.585 -6.029 1.00 0.00 N ATOM 662 CZ ARG A 66 -8.349 3.871 -6.105 1.00 0.00 C ATOM 663 NH1 ARG A 66 -7.572 4.312 -7.085 1.00 0.00 N ATOM 664 NH2 ARG A 66 -8.822 4.728 -5.216 1.00 0.00 N ATOM 0 H ARG A 66 -8.751 -2.645 -6.265 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.915 -0.679 -8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.662 -1.514 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.511 -0.325 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.477 -0.068 -5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.861 0.611 -5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.384 1.970 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.989 1.268 -7.627 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.310 2.297 -5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.221 3.663 -7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.326 5.301 -7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.439 4.402 -4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.570 5.715 -5.275 1.00 0.00 H new ATOM 677 N SER A 67 -7.209 -1.873 -10.035 1.00 0.00 N ATOM 678 CA SER A 67 -6.673 -2.685 -11.113 1.00 0.00 C ATOM 679 C SER A 67 -5.459 -2.007 -11.746 1.00 0.00 C ATOM 680 O SER A 67 -4.886 -1.090 -11.155 1.00 0.00 O ATOM 681 CB SER A 67 -7.757 -2.917 -12.161 1.00 0.00 C ATOM 682 OG SER A 67 -8.891 -3.548 -11.589 1.00 0.00 O ATOM 0 H SER A 67 -7.109 -0.868 -10.177 1.00 0.00 H new ATOM 0 HA SER A 67 -6.351 -3.645 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.051 -1.965 -12.603 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.362 -3.534 -12.968 1.00 0.00 H new ATOM 0 HG SER A 67 -9.573 -3.685 -12.280 1.00 0.00 H new ATOM 688 N SER A 68 -5.074 -2.449 -12.943 1.00 0.00 N ATOM 689 CA SER A 68 -3.916 -1.891 -13.635 1.00 0.00 C ATOM 690 C SER A 68 -4.102 -0.401 -13.924 1.00 0.00 C ATOM 691 O SER A 68 -3.147 0.375 -13.884 1.00 0.00 O ATOM 692 CB SER A 68 -3.670 -2.648 -14.943 1.00 0.00 C ATOM 693 OG SER A 68 -3.619 -4.048 -14.720 1.00 0.00 O ATOM 0 H SER A 68 -5.549 -3.193 -13.453 1.00 0.00 H new ATOM 0 HA SER A 68 -3.051 -2.003 -12.982 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.463 -2.418 -15.655 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.734 -2.313 -15.390 1.00 0.00 H new ATOM 0 HG SER A 68 -3.463 -4.509 -15.570 1.00 0.00 H new ATOM 699 N LYS A 69 -5.336 0.002 -14.200 1.00 0.00 N ATOM 700 CA LYS A 69 -5.626 1.389 -14.525 1.00 0.00 C ATOM 701 C LYS A 69 -6.677 1.964 -13.578 1.00 0.00 C ATOM 702 O LYS A 69 -7.876 1.920 -13.857 1.00 0.00 O ATOM 703 CB LYS A 69 -6.083 1.519 -15.986 1.00 0.00 C ATOM 704 CG LYS A 69 -6.473 2.939 -16.389 1.00 0.00 C ATOM 705 CD LYS A 69 -5.345 3.929 -16.143 1.00 0.00 C ATOM 706 CE LYS A 69 -5.796 5.359 -16.396 1.00 0.00 C ATOM 707 NZ LYS A 69 -4.737 6.347 -16.064 1.00 0.00 N ATOM 0 H LYS A 69 -6.150 -0.613 -14.205 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.709 1.964 -14.400 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.281 1.174 -16.639 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.934 0.859 -16.150 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.746 2.955 -17.444 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.355 3.247 -15.827 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.993 3.833 -15.116 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.502 3.691 -16.792 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.079 5.469 -17.443 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.686 5.568 -15.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.088 7.308 -16.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.484 6.261 -15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.897 6.165 -16.649 1.00 0.00 H new ATOM 720 N GLN A 70 -6.211 2.471 -12.447 1.00 0.00 N ATOM 721 CA GLN A 70 -7.052 3.198 -11.507 1.00 0.00 C ATOM 722 C GLN A 70 -6.208 4.178 -10.697 1.00 0.00 C ATOM 723 O GLN A 70 -5.769 3.879 -9.586 1.00 0.00 O ATOM 724 CB GLN A 70 -7.822 2.244 -10.582 1.00 0.00 C ATOM 725 CG GLN A 70 -9.189 1.847 -11.124 1.00 0.00 C ATOM 726 CD GLN A 70 -9.899 0.827 -10.260 1.00 0.00 C ATOM 727 OE1 GLN A 70 -9.763 -0.376 -10.467 1.00 0.00 O ATOM 728 NE2 GLN A 70 -10.669 1.300 -9.292 1.00 0.00 N ATOM 0 H GLN A 70 -5.237 2.390 -12.154 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.791 3.759 -12.079 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.227 1.345 -10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.949 2.718 -9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.812 2.738 -11.210 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.071 1.443 -12.129 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.754 2.307 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.177 0.657 -8.684 1.00 0.00 H new ATOM 737 N TRP A 71 -5.982 5.351 -11.277 1.00 0.00 N ATOM 738 CA TRP A 71 -5.178 6.390 -10.651 1.00 0.00 C ATOM 739 C TRP A 71 -6.034 7.635 -10.435 1.00 0.00 C ATOM 740 O TRP A 71 -5.844 8.650 -11.106 1.00 0.00 O ATOM 741 CB TRP A 71 -3.979 6.755 -11.536 1.00 0.00 C ATOM 742 CG TRP A 71 -3.053 5.617 -11.850 1.00 0.00 C ATOM 743 CD1 TRP A 71 -3.165 4.725 -12.879 1.00 0.00 C ATOM 744 CD2 TRP A 71 -1.856 5.270 -11.148 1.00 0.00 C ATOM 745 NE1 TRP A 71 -2.111 3.844 -12.858 1.00 0.00 N ATOM 746 CE2 TRP A 71 -1.294 4.158 -11.805 1.00 0.00 C ATOM 747 CE3 TRP A 71 -1.201 5.792 -10.028 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -0.112 3.561 -11.376 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -0.029 5.196 -9.606 1.00 0.00 C ATOM 750 CH2 TRP A 71 0.506 4.093 -10.279 1.00 0.00 C ATOM 0 H TRP A 71 -6.351 5.607 -12.193 1.00 0.00 H new ATOM 0 HA TRP A 71 -4.812 6.015 -9.695 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.351 7.170 -12.473 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.409 7.542 -11.043 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.966 4.714 -13.604 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.962 3.081 -13.518 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.604 6.645 -9.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.302 2.707 -11.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.484 5.589 -8.740 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.426 3.653 -9.925 1.00 0.00 H new ATOM 761 N GLU A 72 -6.984 7.556 -9.517 1.00 0.00 N ATOM 762 CA GLU A 72 -7.914 8.660 -9.313 1.00 0.00 C ATOM 763 C GLU A 72 -7.609 9.441 -8.033 1.00 0.00 C ATOM 764 O GLU A 72 -7.012 10.516 -8.089 1.00 0.00 O ATOM 765 CB GLU A 72 -9.370 8.164 -9.338 1.00 0.00 C ATOM 766 CG GLU A 72 -9.636 6.937 -8.476 1.00 0.00 C ATOM 767 CD GLU A 72 -11.062 6.449 -8.591 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.392 5.813 -9.613 1.00 0.00 O ATOM 769 OE2 GLU A 72 -11.862 6.701 -7.665 1.00 0.00 O ATOM 0 H GLU A 72 -7.132 6.752 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.781 9.354 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.021 8.973 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.645 7.935 -10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.956 6.137 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.419 7.174 -7.434 1.00 0.00 H new ATOM 776 N ASP A 73 -7.990 8.900 -6.882 1.00 0.00 N ATOM 777 CA ASP A 73 -7.834 9.620 -5.623 1.00 0.00 C ATOM 778 C ASP A 73 -6.896 8.873 -4.679 1.00 0.00 C ATOM 779 O ASP A 73 -7.302 7.911 -4.022 1.00 0.00 O ATOM 780 CB ASP A 73 -9.193 9.823 -4.946 1.00 0.00 C ATOM 781 CG ASP A 73 -9.112 10.817 -3.803 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.729 10.420 -2.688 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.428 12.004 -4.026 1.00 0.00 O ATOM 0 H ASP A 73 -8.406 7.973 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.400 10.594 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.916 10.174 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.558 8.867 -4.571 1.00 0.00 H new ATOM 788 N PRO A 74 -5.618 9.282 -4.633 1.00 0.00 N ATOM 789 CA PRO A 74 -4.623 8.702 -3.745 1.00 0.00 C ATOM 790 C PRO A 74 -4.406 9.529 -2.475 1.00 0.00 C ATOM 791 O PRO A 74 -3.646 9.137 -1.587 1.00 0.00 O ATOM 792 CB PRO A 74 -3.373 8.741 -4.620 1.00 0.00 C ATOM 793 CG PRO A 74 -3.541 9.951 -5.489 1.00 0.00 C ATOM 794 CD PRO A 74 -5.011 10.316 -5.484 1.00 0.00 C ATOM 0 HA PRO A 74 -4.906 7.714 -3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.470 8.813 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.283 7.835 -5.219 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.939 10.779 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.201 9.744 -6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.175 11.315 -5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.431 10.305 -6.490 1.00 0.00 H new ATOM 802 N SER A 75 -5.096 10.660 -2.392 1.00 0.00 N ATOM 803 CA SER A 75 -4.870 11.638 -1.333 1.00 0.00 C ATOM 804 C SER A 75 -5.267 11.103 0.044 1.00 0.00 C ATOM 805 O SER A 75 -4.842 11.638 1.071 1.00 0.00 O ATOM 806 CB SER A 75 -5.642 12.917 -1.650 1.00 0.00 C ATOM 807 OG SER A 75 -5.364 13.357 -2.972 1.00 0.00 O ATOM 0 H SER A 75 -5.825 10.925 -3.054 1.00 0.00 H new ATOM 0 HA SER A 75 -3.802 11.850 -1.294 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.712 12.739 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.372 13.697 -0.938 1.00 0.00 H new ATOM 0 HG SER A 75 -5.869 14.176 -3.157 1.00 0.00 H new ATOM 813 N GLN A 76 -6.065 10.042 0.064 1.00 0.00 N ATOM 814 CA GLN A 76 -6.504 9.431 1.315 1.00 0.00 C ATOM 815 C GLN A 76 -5.313 8.884 2.097 1.00 0.00 C ATOM 816 O GLN A 76 -5.358 8.769 3.321 1.00 0.00 O ATOM 817 CB GLN A 76 -7.492 8.298 1.028 1.00 0.00 C ATOM 818 CG GLN A 76 -8.609 8.692 0.079 1.00 0.00 C ATOM 819 CD GLN A 76 -9.460 9.830 0.607 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.675 9.965 1.810 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.920 10.674 -0.295 1.00 0.00 N ATOM 0 H GLN A 76 -6.423 9.585 -0.775 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.995 10.198 1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.949 7.452 0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.928 7.960 1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.179 8.982 -0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.244 7.826 -0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.718 10.524 -1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.478 11.477 -0.004 1.00 0.00 H new ATOM 830 N ALA A 77 -4.237 8.578 1.382 1.00 0.00 N ATOM 831 CA ALA A 77 -3.065 7.963 1.987 1.00 0.00 C ATOM 832 C ALA A 77 -2.057 9.012 2.449 1.00 0.00 C ATOM 833 O ALA A 77 -0.882 8.710 2.659 1.00 0.00 O ATOM 834 CB ALA A 77 -2.417 7.000 1.005 1.00 0.00 C ATOM 0 H ALA A 77 -4.153 8.747 0.380 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.391 7.410 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.541 6.545 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.130 6.222 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.115 7.542 0.109 1.00 0.00 H new ATOM 840 N SER A 78 -2.531 10.241 2.614 1.00 0.00 N ATOM 841 CA SER A 78 -1.690 11.344 3.068 1.00 0.00 C ATOM 842 C SER A 78 -1.044 11.034 4.417 1.00 0.00 C ATOM 843 O SER A 78 0.103 11.406 4.665 1.00 0.00 O ATOM 844 CB SER A 78 -2.524 12.623 3.150 1.00 0.00 C ATOM 845 OG SER A 78 -3.801 12.354 3.708 1.00 0.00 O ATOM 0 H SER A 78 -3.502 10.501 2.439 1.00 0.00 H new ATOM 0 HA SER A 78 -0.885 11.485 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.004 13.363 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.640 13.052 2.155 1.00 0.00 H new ATOM 0 HG SER A 78 -4.431 12.131 2.991 1.00 0.00 H new ATOM 851 N LYS A 79 -1.781 10.330 5.271 1.00 0.00 N ATOM 852 CA LYS A 79 -1.290 9.959 6.595 1.00 0.00 C ATOM 853 C LYS A 79 -0.038 9.091 6.495 1.00 0.00 C ATOM 854 O LYS A 79 0.859 9.178 7.336 1.00 0.00 O ATOM 855 CB LYS A 79 -2.377 9.215 7.369 1.00 0.00 C ATOM 856 CG LYS A 79 -3.675 9.991 7.502 1.00 0.00 C ATOM 857 CD LYS A 79 -3.463 11.331 8.189 1.00 0.00 C ATOM 858 CE LYS A 79 -4.776 12.062 8.406 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.573 13.366 9.093 1.00 0.00 N ATOM 0 H LYS A 79 -2.726 10.003 5.068 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.030 10.874 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.581 8.267 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.003 8.978 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.105 10.153 6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.395 9.401 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.970 11.175 9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.798 11.949 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.263 12.229 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.446 11.439 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.491 13.836 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.131 13.205 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.954 13.970 8.515 1.00 0.00 H new ATOM 872 N VAL A 80 0.026 8.266 5.453 1.00 0.00 N ATOM 873 CA VAL A 80 1.164 7.383 5.246 1.00 0.00 C ATOM 874 C VAL A 80 2.420 8.200 4.972 1.00 0.00 C ATOM 875 O VAL A 80 3.425 8.056 5.672 1.00 0.00 O ATOM 876 CB VAL A 80 0.923 6.394 4.080 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.167 5.557 3.810 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.266 5.489 4.383 1.00 0.00 C ATOM 0 H VAL A 80 -0.699 8.193 4.740 1.00 0.00 H new ATOM 0 HA VAL A 80 1.295 6.801 6.159 1.00 0.00 H new ATOM 0 HB VAL A 80 0.701 6.976 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.972 4.870 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.997 6.213 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.424 4.988 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.420 4.801 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.069 4.922 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.160 6.097 4.521 1.00 0.00 H new ATOM 888 N CYS A 81 2.340 9.078 3.976 1.00 0.00 N ATOM 889 CA CYS A 81 3.471 9.920 3.608 1.00 0.00 C ATOM 890 C CYS A 81 3.856 10.834 4.767 1.00 0.00 C ATOM 891 O CYS A 81 5.036 11.043 5.035 1.00 0.00 O ATOM 892 CB CYS A 81 3.146 10.757 2.367 1.00 0.00 C ATOM 893 SG CYS A 81 2.547 9.790 0.942 1.00 0.00 S ATOM 0 H CYS A 81 1.504 9.224 3.410 1.00 0.00 H new ATOM 0 HA CYS A 81 4.314 9.269 3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.391 11.498 2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.040 11.305 2.069 1.00 0.00 H new ATOM 898 N GLN A 82 2.849 11.351 5.468 1.00 0.00 N ATOM 899 CA GLN A 82 3.070 12.253 6.593 1.00 0.00 C ATOM 900 C GLN A 82 3.920 11.589 7.675 1.00 0.00 C ATOM 901 O GLN A 82 4.904 12.166 8.139 1.00 0.00 O ATOM 902 CB GLN A 82 1.727 12.712 7.174 1.00 0.00 C ATOM 903 CG GLN A 82 1.853 13.642 8.373 1.00 0.00 C ATOM 904 CD GLN A 82 0.517 14.193 8.824 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.167 13.607 9.666 1.00 0.00 O ATOM 906 NE2 GLN A 82 0.136 15.329 8.267 1.00 0.00 N ATOM 0 H GLN A 82 1.866 11.158 5.274 1.00 0.00 H new ATOM 0 HA GLN A 82 3.614 13.124 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.160 13.218 6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.151 11.834 7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.317 13.103 9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.516 14.469 8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.732 15.782 7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.754 15.753 8.530 1.00 0.00 H new ATOM 915 N ARG A 83 3.560 10.371 8.062 1.00 0.00 N ATOM 916 CA ARG A 83 4.301 9.660 9.102 1.00 0.00 C ATOM 917 C ARG A 83 5.667 9.199 8.598 1.00 0.00 C ATOM 918 O ARG A 83 6.575 8.944 9.389 1.00 0.00 O ATOM 919 CB ARG A 83 3.497 8.476 9.629 1.00 0.00 C ATOM 920 CG ARG A 83 2.328 8.887 10.507 1.00 0.00 C ATOM 921 CD ARG A 83 1.543 7.683 10.993 1.00 0.00 C ATOM 922 NE ARG A 83 0.936 6.950 9.887 1.00 0.00 N ATOM 923 CZ ARG A 83 -0.373 6.798 9.736 1.00 0.00 C ATOM 924 NH1 ARG A 83 -1.210 7.291 10.640 1.00 0.00 N ATOM 925 NH2 ARG A 83 -0.852 6.150 8.688 1.00 0.00 N ATOM 0 H ARG A 83 2.767 9.857 7.677 1.00 0.00 H new ATOM 0 HA ARG A 83 4.466 10.358 9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.123 7.896 8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.157 7.822 10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.697 9.451 11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.668 9.551 9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.204 7.019 11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.765 8.010 11.683 1.00 0.00 H new ATOM 0 HE ARG A 83 1.553 6.531 9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.847 7.788 11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.216 7.173 10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.214 5.765 7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.859 6.035 8.576 1.00 0.00 H new ATOM 938 N LEU A 84 5.814 9.104 7.284 1.00 0.00 N ATOM 939 CA LEU A 84 7.096 8.751 6.688 1.00 0.00 C ATOM 940 C LEU A 84 7.932 9.996 6.405 1.00 0.00 C ATOM 941 O LEU A 84 9.010 9.912 5.818 1.00 0.00 O ATOM 942 CB LEU A 84 6.892 7.958 5.398 1.00 0.00 C ATOM 943 CG LEU A 84 6.297 6.561 5.581 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.003 5.921 4.234 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.252 5.687 6.378 1.00 0.00 C ATOM 0 H LEU A 84 5.064 9.266 6.612 1.00 0.00 H new ATOM 0 HA LEU A 84 7.633 8.129 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.240 8.530 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.853 7.863 4.893 1.00 0.00 H new ATOM 0 HG LEU A 84 5.359 6.655 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.580 4.928 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.291 6.538 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.927 5.838 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.819 4.695 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.200 5.605 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.423 6.134 7.357 1.00 0.00 H new ATOM 957 N ASN A 85 7.414 11.149 6.831 1.00 0.00 N ATOM 958 CA ASN A 85 8.087 12.433 6.651 1.00 0.00 C ATOM 959 C ASN A 85 8.281 12.740 5.166 1.00 0.00 C ATOM 960 O ASN A 85 9.372 13.097 4.717 1.00 0.00 O ATOM 961 CB ASN A 85 9.427 12.457 7.395 1.00 0.00 C ATOM 962 CG ASN A 85 10.048 13.843 7.449 1.00 0.00 C ATOM 963 OD1 ASN A 85 11.271 13.983 7.470 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.216 14.875 7.471 1.00 0.00 N ATOM 0 H ASN A 85 6.516 11.217 7.310 1.00 0.00 H new ATOM 0 HA ASN A 85 7.453 13.211 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.280 12.091 8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.120 11.772 6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.584 15.826 7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.208 14.718 7.452 1.00 0.00 H new ATOM 971 N CYS A 86 7.212 12.582 4.406 1.00 0.00 N ATOM 972 CA CYS A 86 7.218 12.901 2.991 1.00 0.00 C ATOM 973 C CYS A 86 5.978 13.708 2.646 1.00 0.00 C ATOM 974 O CYS A 86 5.020 13.742 3.419 1.00 0.00 O ATOM 975 CB CYS A 86 7.266 11.621 2.150 1.00 0.00 C ATOM 976 SG CYS A 86 8.768 10.618 2.400 1.00 0.00 S ATOM 0 H CYS A 86 6.319 12.230 4.751 1.00 0.00 H new ATOM 0 HA CYS A 86 8.106 13.491 2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.393 11.012 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.193 11.889 1.096 1.00 0.00 H new ATOM 981 N GLY A 87 5.998 14.359 1.494 1.00 0.00 N ATOM 982 CA GLY A 87 4.871 15.156 1.073 1.00 0.00 C ATOM 983 C GLY A 87 3.705 14.306 0.617 1.00 0.00 C ATOM 984 O GLY A 87 3.811 13.083 0.550 1.00 0.00 O ATOM 0 H GLY A 87 6.781 14.348 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.552 15.794 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.178 15.814 0.260 1.00 0.00 H new ATOM 988 N ASP A 88 2.614 14.966 0.272 1.00 0.00 N ATOM 989 CA ASP A 88 1.350 14.304 -0.038 1.00 0.00 C ATOM 990 C ASP A 88 1.472 13.314 -1.196 1.00 0.00 C ATOM 991 O ASP A 88 2.248 13.514 -2.134 1.00 0.00 O ATOM 992 CB ASP A 88 0.267 15.351 -0.333 1.00 0.00 C ATOM 993 CG ASP A 88 0.783 16.547 -1.105 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.584 17.324 -0.539 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.368 16.738 -2.265 1.00 0.00 O ATOM 0 H ASP A 88 2.575 15.983 0.197 1.00 0.00 H new ATOM 0 HA ASP A 88 1.065 13.724 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.537 14.882 -0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.163 15.693 0.608 1.00 0.00 H new ATOM 1000 N PRO A 89 0.686 12.223 -1.121 1.00 0.00 N ATOM 1001 CA PRO A 89 0.734 11.115 -2.082 1.00 0.00 C ATOM 1002 C PRO A 89 0.333 11.532 -3.493 1.00 0.00 C ATOM 1003 O PRO A 89 -0.849 11.703 -3.793 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.273 10.103 -1.520 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.166 10.892 -0.630 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.317 11.990 -0.069 1.00 0.00 C ATOM 0 HA PRO A 89 1.746 10.723 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.838 9.624 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.232 9.310 -0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.012 11.297 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.575 10.269 0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.903 12.887 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.149 11.696 0.871 1.00 0.00 H new ATOM 1014 N LEU A 90 1.329 11.679 -4.353 1.00 0.00 N ATOM 1015 CA LEU A 90 1.115 12.062 -5.739 1.00 0.00 C ATOM 1016 C LEU A 90 0.404 10.955 -6.505 1.00 0.00 C ATOM 1017 O LEU A 90 -0.482 11.215 -7.317 1.00 0.00 O ATOM 1018 CB LEU A 90 2.456 12.362 -6.410 1.00 0.00 C ATOM 1019 CG LEU A 90 3.179 13.615 -5.912 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.596 13.666 -6.463 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.413 14.867 -6.313 1.00 0.00 C ATOM 0 H LEU A 90 2.309 11.536 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 90 0.489 12.954 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.113 11.504 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.291 12.462 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 90 3.230 13.572 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.096 14.564 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.147 12.785 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.562 13.686 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.942 15.749 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.333 14.913 -7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.414 14.838 -5.877 1.00 0.00 H new ATOM 1033 N SER A 91 0.801 9.721 -6.248 1.00 0.00 N ATOM 1034 CA SER A 91 0.243 8.584 -6.959 1.00 0.00 C ATOM 1035 C SER A 91 0.165 7.359 -6.060 1.00 0.00 C ATOM 1036 O SER A 91 0.974 7.200 -5.145 1.00 0.00 O ATOM 1037 CB SER A 91 1.086 8.273 -8.195 1.00 0.00 C ATOM 1038 OG SER A 91 1.211 9.416 -9.023 1.00 0.00 O ATOM 0 H SER A 91 1.507 9.481 -5.553 1.00 0.00 H new ATOM 0 HA SER A 91 -0.769 8.842 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.075 7.931 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.627 7.460 -8.758 1.00 0.00 H new ATOM 0 HG SER A 91 1.756 9.194 -9.807 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.819 6.512 -6.328 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.008 5.271 -5.593 1.00 0.00 C ATOM 1046 C LEU A 92 -1.667 4.251 -6.517 1.00 0.00 C ATOM 1047 O LEU A 92 -2.794 4.449 -6.967 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.863 5.512 -4.338 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.971 4.330 -3.368 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.202 4.842 -1.959 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.105 3.393 -3.763 1.00 0.00 C ATOM 0 H LEU A 92 -1.509 6.667 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.043 4.887 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.450 6.364 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.868 5.791 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.036 3.772 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.278 3.998 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.368 5.477 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.126 5.419 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.156 2.565 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.049 3.939 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.923 3.004 -4.765 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.953 3.180 -6.819 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.469 2.181 -7.736 1.00 0.00 C ATOM 1065 C GLY A 93 -0.430 1.127 -8.055 1.00 0.00 C ATOM 1066 O GLY A 93 0.473 0.901 -7.252 1.00 0.00 O ATOM 0 H GLY A 93 -0.024 2.982 -6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.348 1.706 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.792 2.665 -8.658 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.527 0.457 -9.214 1.00 0.00 N ATOM 1071 CA PRO A 94 0.449 -0.563 -9.620 1.00 0.00 C ATOM 1072 C PRO A 94 1.783 0.048 -10.059 1.00 0.00 C ATOM 1073 O PRO A 94 2.116 0.072 -11.245 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.244 -1.265 -10.791 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.154 -0.237 -11.367 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.603 0.623 -10.214 1.00 0.00 C ATOM 0 HA PRO A 94 0.709 -1.234 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.480 -1.611 -11.529 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.799 -2.141 -10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.639 0.360 -12.120 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.007 -0.704 -11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.716 1.665 -10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.567 0.297 -9.823 1.00 0.00 H new ATOM 1084 N PHE A 95 2.542 0.530 -9.086 1.00 0.00 N ATOM 1085 CA PHE A 95 3.812 1.199 -9.351 1.00 0.00 C ATOM 1086 C PHE A 95 4.864 0.199 -9.809 1.00 0.00 C ATOM 1087 O PHE A 95 5.592 0.444 -10.771 1.00 0.00 O ATOM 1088 CB PHE A 95 4.298 1.917 -8.090 1.00 0.00 C ATOM 1089 CG PHE A 95 5.420 2.894 -8.323 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.167 4.147 -8.856 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.727 2.561 -8.001 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.194 5.050 -9.064 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.758 3.457 -8.207 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.490 4.703 -8.740 1.00 0.00 C ATOM 0 H PHE A 95 2.300 0.470 -8.097 1.00 0.00 H new ATOM 0 HA PHE A 95 3.655 1.928 -10.146 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.458 2.448 -7.642 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.626 1.171 -7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.155 4.423 -9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.942 1.588 -7.584 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.982 6.024 -9.479 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.771 3.184 -7.952 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.294 5.405 -8.903 1.00 0.00 H new ATOM 1104 N LEU A 96 4.930 -0.929 -9.113 1.00 0.00 N ATOM 1105 CA LEU A 96 5.911 -1.965 -9.407 1.00 0.00 C ATOM 1106 C LEU A 96 5.228 -3.322 -9.471 1.00 0.00 C ATOM 1107 O LEU A 96 4.016 -3.420 -9.271 1.00 0.00 O ATOM 1108 CB LEU A 96 7.001 -1.998 -8.328 1.00 0.00 C ATOM 1109 CG LEU A 96 7.878 -0.746 -8.239 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.818 -0.835 -7.045 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.675 -0.562 -9.522 1.00 0.00 C ATOM 0 H LEU A 96 4.310 -1.150 -8.334 1.00 0.00 H new ATOM 0 HA LEU A 96 6.370 -1.739 -10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.525 -2.157 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.644 -2.859 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 96 7.227 0.118 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.433 0.064 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.235 -0.923 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.460 -1.709 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.293 0.332 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.314 -1.431 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.990 -0.456 -10.363 1.00 0.00 H new ATOM 1123 N LYS A 97 5.993 -4.359 -9.764 1.00 0.00 N ATOM 1124 CA LYS A 97 5.474 -5.715 -9.711 1.00 0.00 C ATOM 1125 C LYS A 97 6.549 -6.663 -9.204 1.00 0.00 C ATOM 1126 O LYS A 97 7.314 -7.239 -9.982 1.00 0.00 O ATOM 1127 CB LYS A 97 4.967 -6.180 -11.077 1.00 0.00 C ATOM 1128 CG LYS A 97 4.156 -7.469 -11.005 1.00 0.00 C ATOM 1129 CD LYS A 97 3.958 -8.093 -12.376 1.00 0.00 C ATOM 1130 CE LYS A 97 5.277 -8.559 -12.969 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.085 -9.338 -14.220 1.00 0.00 N ATOM 0 H LYS A 97 6.972 -4.289 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 97 4.628 -5.722 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.352 -5.395 -11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.817 -6.329 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.662 -8.180 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.184 -7.262 -10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.274 -8.938 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.493 -7.368 -13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.907 -7.694 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.806 -9.172 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.011 -9.635 -14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.506 -10.178 -14.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.604 -8.746 -14.927 1.00 0.00 H new ATOM 1144 N THR A 98 6.613 -6.801 -7.894 1.00 0.00 N ATOM 1145 CA THR A 98 7.542 -7.716 -7.269 1.00 0.00 C ATOM 1146 C THR A 98 6.909 -9.101 -7.197 1.00 0.00 C ATOM 1147 O THR A 98 5.928 -9.307 -6.481 1.00 0.00 O ATOM 1148 CB THR A 98 7.922 -7.229 -5.858 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.312 -5.849 -5.918 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.063 -8.055 -5.275 1.00 0.00 C ATOM 0 H THR A 98 6.026 -6.285 -7.239 1.00 0.00 H new ATOM 0 HA THR A 98 8.453 -7.761 -7.866 1.00 0.00 H new ATOM 0 HB THR A 98 7.052 -7.345 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.552 -5.538 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.307 -7.686 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.760 -9.100 -5.211 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.939 -7.970 -5.918 1.00 0.00 H new ATOM 1158 N TYR A 99 7.459 -10.031 -7.962 1.00 0.00 N ATOM 1159 CA TYR A 99 6.896 -11.369 -8.090 1.00 0.00 C ATOM 1160 C TYR A 99 7.165 -12.193 -6.829 1.00 0.00 C ATOM 1161 O TYR A 99 7.960 -13.134 -6.839 1.00 0.00 O ATOM 1162 CB TYR A 99 7.492 -12.060 -9.321 1.00 0.00 C ATOM 1163 CG TYR A 99 6.593 -13.100 -9.955 1.00 0.00 C ATOM 1164 CD1 TYR A 99 5.683 -12.742 -10.946 1.00 0.00 C ATOM 1165 CD2 TYR A 99 6.663 -14.437 -9.584 1.00 0.00 C ATOM 1166 CE1 TYR A 99 4.868 -13.686 -11.543 1.00 0.00 C ATOM 1167 CE2 TYR A 99 5.856 -15.384 -10.181 1.00 0.00 C ATOM 1168 CZ TYR A 99 4.960 -15.005 -11.157 1.00 0.00 C ATOM 1169 OH TYR A 99 4.160 -15.952 -11.757 1.00 0.00 O ATOM 0 H TYR A 99 8.306 -9.882 -8.511 1.00 0.00 H new ATOM 0 HA TYR A 99 5.816 -11.288 -8.213 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.731 -11.302 -10.067 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.431 -12.535 -9.036 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.612 -11.709 -11.254 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.360 -14.740 -8.816 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.164 -13.391 -12.307 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.927 -16.420 -9.884 1.00 0.00 H new ATOM 0 HH TYR A 99 3.908 -16.633 -11.098 1.00 0.00 H new ATOM 1179 N THR A 100 6.506 -11.819 -5.744 1.00 0.00 N ATOM 1180 CA THR A 100 6.626 -12.526 -4.479 1.00 0.00 C ATOM 1181 C THR A 100 5.235 -12.827 -3.912 1.00 0.00 C ATOM 1182 O THR A 100 4.770 -12.164 -2.978 1.00 0.00 O ATOM 1183 CB THR A 100 7.442 -11.697 -3.463 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.668 -11.260 -4.061 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.760 -12.512 -2.220 1.00 0.00 C ATOM 0 H THR A 100 5.874 -11.019 -5.715 1.00 0.00 H new ATOM 0 HA THR A 100 7.151 -13.464 -4.658 1.00 0.00 H new ATOM 0 HB THR A 100 6.840 -10.836 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.179 -10.734 -3.412 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.335 -11.903 -1.523 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.831 -12.828 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.342 -13.390 -2.500 1.00 0.00 H new ATOM 1193 N PRO A 101 4.546 -13.836 -4.476 1.00 0.00 N ATOM 1194 CA PRO A 101 3.183 -14.198 -4.084 1.00 0.00 C ATOM 1195 C PRO A 101 3.139 -14.986 -2.776 1.00 0.00 C ATOM 1196 O PRO A 101 2.677 -16.126 -2.738 1.00 0.00 O ATOM 1197 CB PRO A 101 2.684 -15.068 -5.255 1.00 0.00 C ATOM 1198 CG PRO A 101 3.770 -15.037 -6.283 1.00 0.00 C ATOM 1199 CD PRO A 101 5.033 -14.712 -5.544 1.00 0.00 C ATOM 0 HA PRO A 101 2.570 -13.315 -3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.487 -16.088 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.751 -14.678 -5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.852 -15.997 -6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.562 -14.288 -7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.516 -15.606 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.761 -14.211 -6.182 1.00 0.00 H new ATOM 1207 N GLN A 102 3.622 -14.370 -1.709 1.00 0.00 N ATOM 1208 CA GLN A 102 3.641 -15.007 -0.398 1.00 0.00 C ATOM 1209 C GLN A 102 3.593 -13.961 0.708 1.00 0.00 C ATOM 1210 O GLN A 102 2.981 -14.173 1.751 1.00 0.00 O ATOM 1211 CB GLN A 102 4.887 -15.889 -0.234 1.00 0.00 C ATOM 1212 CG GLN A 102 6.196 -15.157 -0.496 1.00 0.00 C ATOM 1213 CD GLN A 102 7.425 -15.992 -0.186 1.00 0.00 C ATOM 1214 OE1 GLN A 102 8.463 -15.846 -0.831 1.00 0.00 O ATOM 1215 NE2 GLN A 102 7.330 -16.848 0.819 1.00 0.00 N ATOM 0 H GLN A 102 4.008 -13.426 -1.723 1.00 0.00 H new ATOM 0 HA GLN A 102 2.757 -15.640 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.904 -16.294 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.813 -16.737 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.229 -14.849 -1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.222 -14.248 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.452 -16.940 1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.135 -17.416 1.083 1.00 0.00 H new ATOM 1224 N SER A 103 4.236 -12.827 0.470 1.00 0.00 N ATOM 1225 CA SER A 103 4.284 -11.760 1.457 1.00 0.00 C ATOM 1226 C SER A 103 3.434 -10.574 1.016 1.00 0.00 C ATOM 1227 O SER A 103 3.654 -9.444 1.452 1.00 0.00 O ATOM 1228 CB SER A 103 5.732 -11.326 1.688 1.00 0.00 C ATOM 1229 OG SER A 103 6.506 -12.410 2.178 1.00 0.00 O ATOM 0 H SER A 103 4.731 -12.623 -0.398 1.00 0.00 H new ATOM 0 HA SER A 103 3.875 -12.137 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.160 -10.958 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.761 -10.501 2.399 1.00 0.00 H new ATOM 0 HG SER A 103 7.430 -12.115 2.319 1.00 0.00 H new ATOM 1235 N SER A 104 2.453 -10.843 0.169 1.00 0.00 N ATOM 1236 CA SER A 104 1.566 -9.806 -0.324 1.00 0.00 C ATOM 1237 C SER A 104 0.123 -10.099 0.092 1.00 0.00 C ATOM 1238 O SER A 104 -0.248 -11.258 0.305 1.00 0.00 O ATOM 1239 CB SER A 104 1.684 -9.702 -1.846 1.00 0.00 C ATOM 1240 OG SER A 104 3.032 -9.480 -2.232 1.00 0.00 O ATOM 0 H SER A 104 2.252 -11.776 -0.192 1.00 0.00 H new ATOM 0 HA SER A 104 1.856 -8.850 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.315 -10.618 -2.308 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.058 -8.887 -2.209 1.00 0.00 H new ATOM 0 HG SER A 104 3.452 -10.335 -2.461 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.681 -9.050 0.229 1.00 0.00 N ATOM 1247 CA ILE A 105 -2.067 -9.195 0.664 1.00 0.00 C ATOM 1248 C ILE A 105 -3.032 -8.455 -0.260 1.00 0.00 C ATOM 1249 O ILE A 105 -2.654 -7.511 -0.960 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.284 -8.670 2.108 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.797 -7.219 2.232 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.592 -9.565 3.128 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -2.126 -6.568 3.561 1.00 0.00 C ATOM 0 H ILE A 105 -0.397 -8.088 0.045 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.273 -10.265 0.632 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.353 -8.692 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.717 -7.196 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.240 -6.628 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.761 -9.172 4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.997 -10.575 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.522 -9.589 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.748 -5.545 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.207 -6.557 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.660 -7.133 4.368 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.277 -8.901 -0.245 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.360 -8.236 -0.951 1.00 0.00 C ATOM 1267 C ILE A 106 -6.468 -7.909 0.041 1.00 0.00 C ATOM 1268 O ILE A 106 -6.934 -8.783 0.772 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.910 -9.109 -2.107 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.037 -8.944 -3.353 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.361 -8.765 -2.426 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.393 -9.895 -4.478 1.00 0.00 C ATOM 0 H ILE A 106 -4.567 -9.739 0.260 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.976 -7.318 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.880 -10.150 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.125 -7.919 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.994 -9.096 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.714 -9.397 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.978 -8.934 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.430 -7.718 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.732 -9.719 -5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.277 -10.923 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.426 -9.728 -4.782 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.867 -6.654 0.093 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.866 -6.228 1.053 1.00 0.00 C ATOM 1286 C CYS A 107 -9.104 -5.714 0.331 1.00 0.00 C ATOM 1287 O CYS A 107 -9.026 -5.274 -0.817 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.292 -5.142 1.964 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.894 -5.226 3.676 1.00 0.00 S ATOM 0 H CYS A 107 -6.517 -5.914 -0.515 1.00 0.00 H new ATOM 0 HA CYS A 107 -8.151 -7.083 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.205 -5.221 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.540 -4.165 1.549 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.247 -5.781 0.992 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.492 -5.324 0.402 1.00 0.00 C ATOM 1296 C TYR A 108 -12.383 -4.670 1.448 1.00 0.00 C ATOM 1297 O TYR A 108 -12.308 -4.995 2.633 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.223 -6.474 -0.309 1.00 0.00 C ATOM 1299 CG TYR A 108 -12.066 -7.830 0.346 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.878 -8.215 1.402 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -11.110 -8.731 -0.107 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -12.740 -9.458 1.990 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.968 -9.976 0.474 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.786 -10.333 1.521 1.00 0.00 C ATOM 1305 OH TYR A 108 -11.651 -11.574 2.100 1.00 0.00 O ATOM 0 H TYR A 108 -10.338 -6.148 1.939 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.250 -4.571 -0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -13.285 -6.233 -0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.859 -6.538 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.630 -7.533 1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.466 -8.453 -0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.378 -9.742 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.220 -10.664 0.109 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.701 -11.763 2.251 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.217 -3.746 0.995 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.030 -2.959 1.896 1.00 0.00 C ATOM 1317 C GLY A 109 -13.936 -1.488 1.561 1.00 0.00 C ATOM 1318 O GLY A 109 -14.378 -1.064 0.491 1.00 0.00 O ATOM 0 H GLY A 109 -13.345 -3.526 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.068 -3.285 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.705 -3.124 2.923 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.352 -0.713 2.459 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.137 0.706 2.219 1.00 0.00 C ATOM 1324 C GLN A 110 -11.651 0.993 2.058 1.00 0.00 C ATOM 1325 O GLN A 110 -10.828 0.528 2.854 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.702 1.555 3.364 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.226 1.587 3.434 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.837 0.274 3.887 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.237 -0.469 4.663 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -17.032 -0.024 3.402 1.00 0.00 N ATOM 0 H GLN A 110 -13.017 -1.043 3.364 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.661 0.971 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.315 1.172 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.334 2.576 3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.534 2.378 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.622 1.843 2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.497 0.619 2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.488 -0.896 3.670 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.320 1.736 1.006 1.00 0.00 N ATOM 1340 CA LEU A 111 -9.952 2.169 0.744 1.00 0.00 C ATOM 1341 C LEU A 111 -9.349 2.848 1.972 1.00 0.00 C ATOM 1342 O LEU A 111 -9.764 3.940 2.358 1.00 0.00 O ATOM 1343 CB LEU A 111 -9.932 3.134 -0.450 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.583 3.797 -0.760 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.558 2.774 -1.227 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -8.759 4.891 -1.802 1.00 0.00 C ATOM 0 H LEU A 111 -11.994 2.055 0.310 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.352 1.290 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.259 2.590 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.666 3.919 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.209 4.246 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.614 3.276 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.406 2.029 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.919 2.284 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.794 5.352 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.162 4.459 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.448 5.646 -1.424 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.380 2.187 2.588 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.739 2.747 3.759 1.00 0.00 C ATOM 1360 C GLY A 112 -7.811 1.824 4.951 1.00 0.00 C ATOM 1361 O GLY A 112 -7.030 1.960 5.896 1.00 0.00 O ATOM 0 H GLY A 112 -8.027 1.275 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.695 2.961 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.212 3.697 4.009 1.00 0.00 H new ATOM 1365 N SER A 113 -8.741 0.879 4.913 1.00 0.00 N ATOM 1366 CA SER A 113 -8.904 -0.058 6.008 1.00 0.00 C ATOM 1367 C SER A 113 -8.256 -1.397 5.662 1.00 0.00 C ATOM 1368 O SER A 113 -8.582 -2.016 4.648 1.00 0.00 O ATOM 1369 CB SER A 113 -10.388 -0.249 6.339 1.00 0.00 C ATOM 1370 OG SER A 113 -10.559 -0.817 7.628 1.00 0.00 O ATOM 0 H SER A 113 -9.390 0.744 4.138 1.00 0.00 H new ATOM 0 HA SER A 113 -8.408 0.351 6.888 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.900 0.712 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.850 -0.893 5.591 1.00 0.00 H new ATOM 0 HG SER A 113 -10.301 -0.163 8.311 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.325 -1.817 6.509 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.649 -3.101 6.371 1.00 0.00 C ATOM 1378 C PHE A 114 -7.166 -4.057 7.439 1.00 0.00 C ATOM 1379 O PHE A 114 -6.483 -4.997 7.846 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.132 -2.935 6.537 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.470 -2.087 5.484 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.443 -0.703 5.598 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.859 -2.676 4.388 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.821 0.073 4.641 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.234 -1.901 3.428 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.216 -0.526 3.554 1.00 0.00 C ATOM 0 H PHE A 114 -7.016 -1.274 7.315 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.853 -3.499 5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.934 -2.496 7.515 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.670 -3.922 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.914 -0.228 6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.871 -3.751 4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.808 1.148 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.760 -2.371 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.730 0.080 2.804 1.00 0.00 H new ATOM 1396 N SER A 115 -8.379 -3.796 7.898 1.00 0.00 N ATOM 1397 CA SER A 115 -8.956 -4.537 9.009 1.00 0.00 C ATOM 1398 C SER A 115 -9.469 -5.907 8.565 1.00 0.00 C ATOM 1399 O SER A 115 -9.744 -6.774 9.395 1.00 0.00 O ATOM 1400 CB SER A 115 -10.093 -3.722 9.628 1.00 0.00 C ATOM 1401 OG SER A 115 -9.685 -2.382 9.869 1.00 0.00 O ATOM 0 H SER A 115 -8.987 -3.072 7.516 1.00 0.00 H new ATOM 0 HA SER A 115 -8.176 -4.704 9.752 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.955 -3.729 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.409 -4.184 10.563 1.00 0.00 H new ATOM 0 HG SER A 115 -9.952 -1.818 9.113 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.585 -6.101 7.257 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.141 -7.332 6.710 1.00 0.00 C ATOM 1409 C ASN A 116 -9.473 -7.661 5.377 1.00 0.00 C ATOM 1410 O ASN A 116 -10.050 -7.462 4.307 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.659 -7.185 6.536 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.353 -8.507 6.274 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.531 -8.916 5.129 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.765 -9.181 7.338 1.00 0.00 N ATOM 0 H ASN A 116 -9.300 -5.419 6.554 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.949 -8.152 7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.080 -6.731 7.433 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.861 -6.504 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -13.248 -10.072 7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.599 -8.809 8.273 1.00 0.00 H new ATOM 1421 N CYS A 117 -8.239 -8.147 5.448 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.469 -8.446 4.249 1.00 0.00 C ATOM 1423 C CYS A 117 -7.189 -9.945 4.151 1.00 0.00 C ATOM 1424 O CYS A 117 -7.153 -10.646 5.163 1.00 0.00 O ATOM 1425 CB CYS A 117 -6.142 -7.678 4.267 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.284 -5.911 4.709 1.00 0.00 S ATOM 0 H CYS A 117 -7.752 -8.342 6.323 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.053 -8.137 3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.468 -8.162 4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.680 -7.756 3.283 1.00 0.00 H new ATOM 1431 N SER A 118 -6.984 -10.429 2.932 1.00 0.00 N ATOM 1432 CA SER A 118 -6.680 -11.834 2.703 1.00 0.00 C ATOM 1433 C SER A 118 -5.238 -11.999 2.225 1.00 0.00 C ATOM 1434 O SER A 118 -4.627 -11.051 1.727 1.00 0.00 O ATOM 1435 CB SER A 118 -7.647 -12.418 1.674 1.00 0.00 C ATOM 1436 OG SER A 118 -8.988 -12.323 2.129 1.00 0.00 O ATOM 0 H SER A 118 -7.023 -9.865 2.083 1.00 0.00 H new ATOM 0 HA SER A 118 -6.796 -12.373 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.541 -11.888 0.728 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.396 -13.462 1.484 1.00 0.00 H new ATOM 0 HG SER A 118 -9.572 -12.839 1.535 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.702 -13.203 2.381 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.326 -13.492 1.995 1.00 0.00 C ATOM 1444 C HIS A 119 -3.264 -13.835 0.519 1.00 0.00 C ATOM 1445 O HIS A 119 -4.108 -14.577 0.015 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.761 -14.645 2.832 1.00 0.00 C ATOM 1447 CG HIS A 119 -2.563 -14.300 4.277 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.320 -14.132 4.850 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -3.461 -14.087 5.267 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -1.460 -13.831 6.126 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -2.751 -13.795 6.407 1.00 0.00 N ATOM 0 H HIS A 119 -5.203 -14.000 2.775 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.719 -12.606 2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.435 -15.499 2.760 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.806 -14.956 2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.536 -14.137 5.178 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.656 -13.645 6.823 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.154 -13.585 7.320 1.00 0.00 H new ATOM 1459 N SER A 120 -2.278 -13.298 -0.179 1.00 0.00 N ATOM 1460 CA SER A 120 -2.209 -13.472 -1.612 1.00 0.00 C ATOM 1461 C SER A 120 -1.080 -14.409 -2.014 1.00 0.00 C ATOM 1462 O SER A 120 0.097 -14.152 -1.753 1.00 0.00 O ATOM 1463 CB SER A 120 -2.041 -12.125 -2.309 1.00 0.00 C ATOM 1464 OG SER A 120 -2.129 -12.272 -3.715 1.00 0.00 O ATOM 0 H SER A 120 -1.522 -12.743 0.223 1.00 0.00 H new ATOM 0 HA SER A 120 -3.149 -13.924 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.808 -11.433 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.077 -11.691 -2.044 1.00 0.00 H new ATOM 0 HG SER A 120 -1.413 -11.758 -4.143 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.464 -15.504 -2.642 1.00 0.00 N ATOM 1471 CA ARG A 121 -0.527 -16.419 -3.266 1.00 0.00 C ATOM 1472 C ARG A 121 -0.795 -16.451 -4.765 1.00 0.00 C ATOM 1473 O ARG A 121 -0.619 -17.469 -5.437 1.00 0.00 O ATOM 1474 CB ARG A 121 -0.636 -17.819 -2.647 1.00 0.00 C ATOM 1475 CG ARG A 121 -2.017 -18.160 -2.100 1.00 0.00 C ATOM 1476 CD ARG A 121 -3.064 -18.279 -3.195 1.00 0.00 C ATOM 1477 NE ARG A 121 -2.736 -19.327 -4.154 1.00 0.00 N ATOM 1478 CZ ARG A 121 -3.377 -20.484 -4.221 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -4.342 -20.765 -3.357 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -3.048 -21.371 -5.139 1.00 0.00 N ATOM 0 H ARG A 121 -2.440 -15.785 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 121 0.492 -16.074 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.364 -18.558 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.092 -17.904 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.964 -19.099 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.323 -17.391 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.035 -18.489 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.153 -17.326 -3.716 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.972 -19.160 -4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.594 -20.089 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.833 -21.658 -3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.298 -21.167 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.543 -22.261 -5.189 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.232 -15.306 -5.265 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.632 -15.163 -6.655 1.00 0.00 C ATOM 1495 C ASN A 122 -0.477 -14.585 -7.466 1.00 0.00 C ATOM 1496 O ASN A 122 0.138 -13.595 -7.067 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.861 -14.247 -6.740 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.551 -14.273 -8.092 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -2.925 -14.484 -9.131 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.857 -14.052 -8.087 1.00 0.00 N ATOM 0 H ASN A 122 -1.319 -14.450 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.890 -16.139 -7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.576 -14.541 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.557 -13.224 -6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.378 -14.053 -8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.342 -13.881 -7.206 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.185 -15.217 -8.596 1.00 0.00 N ATOM 1508 CA ASP A 123 0.916 -14.801 -9.463 1.00 0.00 C ATOM 1509 C ASP A 123 0.630 -13.453 -10.107 1.00 0.00 C ATOM 1510 O ASP A 123 1.546 -12.737 -10.505 1.00 0.00 O ATOM 1511 CB ASP A 123 1.160 -15.835 -10.565 1.00 0.00 C ATOM 1512 CG ASP A 123 1.604 -17.182 -10.035 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.733 -18.005 -9.683 1.00 0.00 O ATOM 1514 OD2 ASP A 123 2.826 -17.433 -9.984 1.00 0.00 O ATOM 0 H ASP A 123 -0.700 -16.028 -8.938 1.00 0.00 H new ATOM 0 HA ASP A 123 1.805 -14.717 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.244 -15.963 -11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.918 -15.454 -11.250 1.00 0.00 H new ATOM 1519 N MET A 124 -0.645 -13.110 -10.203 1.00 0.00 N ATOM 1520 CA MET A 124 -1.057 -11.875 -10.853 1.00 0.00 C ATOM 1521 C MET A 124 -1.233 -10.760 -9.826 1.00 0.00 C ATOM 1522 O MET A 124 -2.033 -9.842 -10.015 1.00 0.00 O ATOM 1523 CB MET A 124 -2.363 -12.090 -11.622 1.00 0.00 C ATOM 1524 CG MET A 124 -2.285 -13.175 -12.686 1.00 0.00 C ATOM 1525 SD MET A 124 -3.841 -13.394 -13.568 1.00 0.00 S ATOM 1526 CE MET A 124 -3.440 -14.791 -14.611 1.00 0.00 C ATOM 0 H MET A 124 -1.415 -13.671 -9.838 1.00 0.00 H new ATOM 0 HA MET A 124 -0.277 -11.581 -11.555 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.151 -12.346 -10.914 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.652 -11.152 -12.095 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.500 -12.924 -13.399 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.001 -14.118 -12.218 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.305 -15.050 -15.221 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.603 -14.532 -15.260 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.167 -15.643 -13.989 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.480 -10.837 -8.741 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.575 -9.840 -7.689 1.00 0.00 C ATOM 1538 C CYS A 125 0.274 -8.623 -8.038 1.00 0.00 C ATOM 1539 O CYS A 125 1.461 -8.563 -7.716 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.143 -10.417 -6.336 1.00 0.00 C ATOM 1541 SG CYS A 125 -1.152 -9.832 -4.932 1.00 0.00 S ATOM 0 H CYS A 125 0.201 -11.576 -8.567 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.618 -9.535 -7.607 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.196 -11.505 -6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.900 -10.156 -6.156 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.341 -7.670 -8.731 1.00 0.00 N ATOM 1547 CA HIS A 126 0.314 -6.408 -9.060 1.00 0.00 C ATOM 1548 C HIS A 126 0.683 -5.691 -7.764 1.00 0.00 C ATOM 1549 O HIS A 126 -0.161 -5.546 -6.886 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.611 -5.516 -9.905 1.00 0.00 C ATOM 1551 CG HIS A 126 -1.111 -6.161 -11.171 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.502 -5.992 -12.396 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -2.175 -6.973 -11.398 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.165 -6.666 -13.318 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -2.184 -7.270 -12.739 1.00 0.00 N ATOM 0 H HIS A 126 -1.297 -7.748 -9.077 1.00 0.00 H new ATOM 0 HA HIS A 126 1.212 -6.613 -9.643 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.468 -5.224 -9.298 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -0.077 -4.602 -10.164 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -2.883 -7.321 -10.661 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.915 -6.714 -14.368 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.868 -7.862 -13.210 1.00 0.00 H new ATOM 1563 N SER A 127 1.929 -5.263 -7.634 1.00 0.00 N ATOM 1564 CA SER A 127 2.393 -4.667 -6.387 1.00 0.00 C ATOM 1565 C SER A 127 1.971 -3.204 -6.283 1.00 0.00 C ATOM 1566 O SER A 127 2.178 -2.414 -7.211 1.00 0.00 O ATOM 1567 CB SER A 127 3.914 -4.792 -6.280 1.00 0.00 C ATOM 1568 OG SER A 127 4.329 -6.121 -6.541 1.00 0.00 O ATOM 0 H SER A 127 2.634 -5.316 -8.369 1.00 0.00 H new ATOM 0 HA SER A 127 1.932 -5.207 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.390 -4.112 -6.987 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.239 -4.494 -5.283 1.00 0.00 H new ATOM 0 HG SER A 127 4.866 -6.450 -5.790 1.00 0.00 H new ATOM 1574 N LEU A 128 1.374 -2.847 -5.152 1.00 0.00 N ATOM 1575 CA LEU A 128 0.904 -1.489 -4.937 1.00 0.00 C ATOM 1576 C LEU A 128 2.063 -0.583 -4.544 1.00 0.00 C ATOM 1577 O LEU A 128 2.870 -0.929 -3.681 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.172 -1.453 -3.849 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.924 -0.129 -3.718 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.901 0.050 -4.869 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.652 -0.053 -2.388 1.00 0.00 C ATOM 0 H LEU A 128 1.205 -3.481 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 128 0.470 -1.130 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.895 -2.244 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.295 -1.683 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.194 0.680 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.426 0.999 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.356 0.047 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.623 -0.767 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.180 0.898 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.368 -0.872 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.931 -0.130 -1.574 1.00 0.00 H new ATOM 1593 N GLY A 129 2.140 0.566 -5.187 1.00 0.00 N ATOM 1594 CA GLY A 129 3.176 1.522 -4.881 1.00 0.00 C ATOM 1595 C GLY A 129 2.616 2.900 -4.653 1.00 0.00 C ATOM 1596 O GLY A 129 1.558 3.244 -5.194 1.00 0.00 O ATOM 0 H GLY A 129 1.496 0.856 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.718 1.198 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.895 1.553 -5.699 1.00 0.00 H new ATOM 1600 N LEU A 130 3.320 3.690 -3.864 1.00 0.00 N ATOM 1601 CA LEU A 130 2.872 5.024 -3.531 1.00 0.00 C ATOM 1602 C LEU A 130 4.012 6.013 -3.762 1.00 0.00 C ATOM 1603 O LEU A 130 5.161 5.750 -3.395 1.00 0.00 O ATOM 1604 CB LEU A 130 2.397 5.057 -2.072 1.00 0.00 C ATOM 1605 CG LEU A 130 1.344 6.119 -1.738 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.783 5.882 -0.351 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.929 7.517 -1.821 1.00 0.00 C ATOM 0 H LEU A 130 4.210 3.426 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 130 2.035 5.308 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.991 4.078 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.264 5.217 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 130 0.542 6.037 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.036 6.643 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.320 4.896 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.588 5.936 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.158 8.249 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.752 7.609 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.297 7.698 -2.831 1.00 0.00 H new ATOM 1619 N THR A 131 3.691 7.129 -4.389 1.00 0.00 N ATOM 1620 CA THR A 131 4.676 8.157 -4.681 1.00 0.00 C ATOM 1621 C THR A 131 4.399 9.421 -3.870 1.00 0.00 C ATOM 1622 O THR A 131 3.539 10.220 -4.232 1.00 0.00 O ATOM 1623 CB THR A 131 4.668 8.510 -6.184 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.778 7.316 -6.967 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.812 9.453 -6.535 1.00 0.00 C ATOM 0 H THR A 131 2.748 7.349 -4.709 1.00 0.00 H new ATOM 0 HA THR A 131 5.654 7.762 -4.408 1.00 0.00 H new ATOM 0 HB THR A 131 3.726 9.012 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.771 7.547 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.780 9.683 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.713 10.375 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.763 8.977 -6.295 1.00 0.00 H new ATOM 1633 N CYS A 132 5.111 9.591 -2.770 1.00 0.00 N ATOM 1634 CA CYS A 132 5.006 10.806 -1.972 1.00 0.00 C ATOM 1635 C CYS A 132 6.097 11.784 -2.411 1.00 0.00 C ATOM 1636 O CYS A 132 7.134 11.366 -2.932 1.00 0.00 O ATOM 1637 CB CYS A 132 5.170 10.485 -0.477 1.00 0.00 C ATOM 1638 SG CYS A 132 4.233 9.028 0.101 1.00 0.00 S ATOM 0 H CYS A 132 5.770 8.903 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 132 4.022 11.250 -2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.228 10.325 -0.268 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.858 11.354 0.103 1.00 0.00 H new ATOM 1643 N LEU A 133 5.862 13.076 -2.221 1.00 0.00 N ATOM 1644 CA LEU A 133 6.860 14.086 -2.566 1.00 0.00 C ATOM 1645 C LEU A 133 8.040 14.019 -1.600 1.00 0.00 C ATOM 1646 O LEU A 133 7.843 13.930 -0.389 1.00 0.00 O ATOM 1647 CB LEU A 133 6.249 15.491 -2.532 1.00 0.00 C ATOM 1648 CG LEU A 133 5.233 15.792 -3.633 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.891 16.188 -3.034 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.756 16.892 -4.548 1.00 0.00 C ATOM 0 H LEU A 133 4.996 13.450 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 133 7.210 13.880 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.765 15.635 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.056 16.221 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 133 5.087 14.888 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.183 16.398 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.512 15.372 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.016 17.078 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.022 17.096 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.929 17.797 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.692 16.570 -5.006 1.00 0.00 H new ATOM 1662 N GLU A 134 9.257 14.041 -2.132 1.00 0.00 N ATOM 1663 CA GLU A 134 10.453 14.027 -1.293 1.00 0.00 C ATOM 1664 C GLU A 134 10.552 15.331 -0.513 1.00 0.00 C ATOM 1665 O GLU A 134 10.915 16.362 -1.122 1.00 0.00 O ATOM 1666 CB GLU A 134 11.737 13.835 -2.114 1.00 0.00 C ATOM 1667 CG GLU A 134 11.705 12.676 -3.098 1.00 0.00 C ATOM 1668 CD GLU A 134 10.997 13.033 -4.387 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.591 13.762 -5.212 1.00 0.00 O ATOM 1670 OE2 GLU A 134 9.846 12.600 -4.578 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.264 15.326 0.701 1.00 0.00 O ATOM 0 H GLU A 134 9.443 14.068 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 134 10.359 13.181 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.939 14.754 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 134 12.570 13.686 -1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.725 12.364 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.205 11.824 -2.636 1.00 0.00 H new