USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 938 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 95 GLN :FLIP amide:sc= -0.801 F(o=-1.6,f=-0.8) USER MOD Set 1.2: A 96 GLN : amide:sc= 0 K(o=-0.8,f=-1.4) USER MOD Set 2.1: A 75 MET CE :methyl 159:sc= -0.0805 (180deg=-0.935) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= -0.664 USER MOD Set 3.1: A 47 THR OG1 : rot -105:sc= -0.301 USER MOD Set 3.2: A 73 HIS : no HE2:sc= -29.2! C(o=-29!,f=-31!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0647 USER MOD Single : A 14 SER OG : rot 11:sc= 0.871! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 69:sc= -2.76! USER MOD Single : A 31 THR OG1 : rot 177:sc= 1.26 USER MOD Single : A 32 THR OG1 : rot -110:sc= -0.845 USER MOD Single : A 35 ASN :FLIP amide:sc= -1.88 F(o=-2.5!,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.978 USER MOD Single : A 57 MET CE :methyl 155:sc= -0.944 (180deg=-3.33!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.186) USER MOD Single : A 68 GLN : amide:sc= -22! C(o=-22!,f=-31!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 81 MET CE :methyl 142:sc= -0.614 (180deg=-2.16) USER MOD Single : A 82 THR OG1 : rot -130:sc= -2.55! USER MOD Single : A 84 HIS :FLIP no HD1:sc= -2.33 F(o=-3.9!,f=-2.3) USER MOD Single : A 85 SER OG : rot -170:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.167 USER MOD Single : A 101 TYR OH : rot 180:sc= -0.0801 USER MOD Single : A 104 LYS NZ :NH3+ -145:sc= -0.394 (180deg=-1.93!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.038) USER MOD Single : A 122 TYR OH : rot 180:sc= -0.0037 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.0225 F(o=-0.57,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -8.852 -14.089 -12.869 1.00 0.00 N ATOM 38 CA ARG A 3 -9.022 -13.493 -11.513 1.00 0.00 C ATOM 39 C ARG A 3 -7.647 -13.088 -10.979 1.00 0.00 C ATOM 40 O ARG A 3 -6.655 -13.734 -11.254 1.00 0.00 O ATOM 41 CB ARG A 3 -9.647 -14.532 -10.577 1.00 0.00 C ATOM 42 CG ARG A 3 -10.184 -13.837 -9.325 1.00 0.00 C ATOM 43 CD ARG A 3 -11.372 -14.626 -8.771 1.00 0.00 C ATOM 44 NE ARG A 3 -11.917 -13.927 -7.573 1.00 0.00 N ATOM 45 CZ ARG A 3 -13.006 -14.364 -7.002 1.00 0.00 C ATOM 46 NH1 ARG A 3 -13.957 -14.889 -7.724 1.00 0.00 N ATOM 47 NH2 ARG A 3 -13.144 -14.274 -5.707 1.00 0.00 N ATOM 0 HA ARG A 3 -9.672 -12.619 -11.567 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.454 -15.058 -11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.904 -15.280 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.399 -13.765 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.490 -12.819 -9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.146 -14.722 -9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.060 -15.636 -8.505 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.439 -13.107 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.850 -14.958 -8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.808 -15.230 -7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.401 -13.862 -5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.995 -14.615 -5.260 1.00 0.00 H new ATOM 61 N GLY A 4 -7.566 -12.025 -10.225 1.00 0.00 N ATOM 62 CA GLY A 4 -6.236 -11.606 -9.699 1.00 0.00 C ATOM 63 C GLY A 4 -6.392 -10.542 -8.608 1.00 0.00 C ATOM 64 O GLY A 4 -7.318 -9.755 -8.615 1.00 0.00 O ATOM 0 H GLY A 4 -8.353 -11.435 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.710 -12.472 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.626 -11.213 -10.512 1.00 0.00 H new ATOM 68 N ILE A 5 -5.482 -10.521 -7.670 1.00 0.00 N ATOM 69 CA ILE A 5 -5.552 -9.515 -6.563 1.00 0.00 C ATOM 70 C ILE A 5 -4.566 -8.375 -6.833 1.00 0.00 C ATOM 71 O ILE A 5 -3.359 -8.549 -6.748 1.00 0.00 O ATOM 72 CB ILE A 5 -5.197 -10.162 -5.213 1.00 0.00 C ATOM 73 CG1 ILE A 5 -4.881 -11.648 -5.390 1.00 0.00 C ATOM 74 CG2 ILE A 5 -6.373 -10.012 -4.251 1.00 0.00 C ATOM 75 CD1 ILE A 5 -6.117 -12.381 -5.909 1.00 0.00 C ATOM 0 H ILE A 5 -4.688 -11.160 -7.621 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.571 -9.130 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.317 -9.660 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.053 -11.773 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.564 -12.078 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.121 -10.470 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.588 -8.954 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.251 -10.504 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.887 -13.439 -6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.933 -12.269 -5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.414 -11.959 -6.869 1.00 0.00 H new ATOM 87 N VAL A 6 -5.077 -7.207 -7.139 1.00 0.00 N ATOM 88 CA VAL A 6 -4.192 -6.036 -7.406 1.00 0.00 C ATOM 89 C VAL A 6 -4.416 -4.994 -6.295 1.00 0.00 C ATOM 90 O VAL A 6 -5.514 -4.506 -6.116 1.00 0.00 O ATOM 91 CB VAL A 6 -4.544 -5.458 -8.798 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.119 -4.039 -8.691 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.281 -5.422 -9.656 1.00 0.00 C ATOM 0 H VAL A 6 -6.076 -7.016 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.141 -6.325 -7.407 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.301 -6.098 -9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.354 -3.666 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.026 -4.059 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.385 -3.383 -8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.520 -5.016 -10.639 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.533 -4.792 -9.175 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.888 -6.432 -9.767 1.00 0.00 H new ATOM 103 N TRP A 7 -3.405 -4.658 -5.536 1.00 0.00 N ATOM 104 CA TRP A 7 -3.614 -3.662 -4.445 1.00 0.00 C ATOM 105 C TRP A 7 -3.094 -2.297 -4.902 1.00 0.00 C ATOM 106 O TRP A 7 -1.950 -1.950 -4.694 1.00 0.00 O ATOM 107 CB TRP A 7 -2.887 -4.134 -3.180 1.00 0.00 C ATOM 108 CG TRP A 7 -3.529 -5.405 -2.702 1.00 0.00 C ATOM 109 CD1 TRP A 7 -3.838 -6.460 -3.494 1.00 0.00 C ATOM 110 CD2 TRP A 7 -3.960 -5.771 -1.356 1.00 0.00 C ATOM 111 NE1 TRP A 7 -4.430 -7.441 -2.726 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.530 -7.067 -1.405 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.917 -5.117 -0.110 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.038 -7.689 -0.270 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.433 -5.744 1.039 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.991 -7.029 0.956 1.00 0.00 C ATOM 0 H TRP A 7 -2.457 -5.024 -5.622 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.676 -3.569 -4.217 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.831 -4.300 -3.391 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.941 -3.369 -2.405 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -3.651 -6.523 -4.556 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.755 -8.336 -3.093 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.486 -4.130 -0.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.467 -8.678 -0.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.399 -5.234 1.990 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.384 -7.506 1.842 1.00 0.00 H new ATOM 127 N VAL A 8 -3.936 -1.528 -5.540 1.00 0.00 N ATOM 128 CA VAL A 8 -3.511 -0.189 -6.041 1.00 0.00 C ATOM 129 C VAL A 8 -3.591 0.852 -4.920 1.00 0.00 C ATOM 130 O VAL A 8 -4.377 0.736 -3.999 1.00 0.00 O ATOM 131 CB VAL A 8 -4.439 0.229 -7.184 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.976 1.570 -7.756 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.407 -0.834 -8.282 1.00 0.00 C ATOM 0 H VAL A 8 -4.907 -1.772 -5.737 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.481 -0.249 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.456 0.329 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.638 1.866 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.002 2.328 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.958 1.473 -8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.068 -0.536 -9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.390 -0.937 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.741 -1.788 -7.874 1.00 0.00 H new ATOM 143 N VAL A 9 -2.788 1.878 -5.007 1.00 0.00 N ATOM 144 CA VAL A 9 -2.812 2.944 -3.967 1.00 0.00 C ATOM 145 C VAL A 9 -3.694 4.092 -4.458 1.00 0.00 C ATOM 146 O VAL A 9 -3.318 4.845 -5.334 1.00 0.00 O ATOM 147 CB VAL A 9 -1.392 3.463 -3.733 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.429 4.629 -2.746 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.528 2.339 -3.161 1.00 0.00 C ATOM 0 H VAL A 9 -2.113 2.023 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.207 2.541 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.970 3.803 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.417 4.998 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.045 5.431 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.852 4.291 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.484 2.707 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.952 2.000 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.500 1.507 -3.865 1.00 0.00 H new ATOM 159 N ASP A 10 -4.869 4.231 -3.907 1.00 0.00 N ATOM 160 CA ASP A 10 -5.772 5.327 -4.352 1.00 0.00 C ATOM 161 C ASP A 10 -5.114 6.681 -4.039 1.00 0.00 C ATOM 162 O ASP A 10 -4.264 6.784 -3.176 1.00 0.00 O ATOM 163 CB ASP A 10 -7.143 5.158 -3.653 1.00 0.00 C ATOM 164 CG ASP A 10 -7.472 6.329 -2.715 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.257 7.460 -3.108 1.00 0.00 O ATOM 166 OD2 ASP A 10 -7.948 6.068 -1.623 1.00 0.00 O ATOM 0 H ASP A 10 -5.241 3.633 -3.169 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.940 5.288 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.924 5.071 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.145 4.229 -3.084 1.00 0.00 H new ATOM 171 N ASP A 11 -5.493 7.715 -4.748 1.00 0.00 N ATOM 172 CA ASP A 11 -4.887 9.052 -4.514 1.00 0.00 C ATOM 173 C ASP A 11 -5.847 9.951 -3.712 1.00 0.00 C ATOM 174 O ASP A 11 -5.422 10.823 -2.980 1.00 0.00 O ATOM 175 CB ASP A 11 -4.582 9.681 -5.880 1.00 0.00 C ATOM 176 CG ASP A 11 -5.812 10.418 -6.420 1.00 0.00 C ATOM 177 OD1 ASP A 11 -6.181 11.423 -5.834 1.00 0.00 O ATOM 178 OD2 ASP A 11 -6.365 9.965 -7.409 1.00 0.00 O ATOM 0 H ASP A 11 -6.201 7.685 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.970 8.948 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.746 10.375 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.277 8.906 -6.584 1.00 0.00 H new ATOM 183 N ASP A 12 -7.134 9.759 -3.852 1.00 0.00 N ATOM 184 CA ASP A 12 -8.102 10.618 -3.106 1.00 0.00 C ATOM 185 C ASP A 12 -9.051 9.747 -2.272 1.00 0.00 C ATOM 186 O ASP A 12 -9.092 8.545 -2.406 1.00 0.00 O ATOM 187 CB ASP A 12 -8.918 11.443 -4.104 1.00 0.00 C ATOM 188 CG ASP A 12 -8.392 12.879 -4.133 1.00 0.00 C ATOM 189 OD1 ASP A 12 -7.257 13.083 -3.734 1.00 0.00 O ATOM 190 OD2 ASP A 12 -9.133 13.752 -4.555 1.00 0.00 O ATOM 0 H ASP A 12 -7.555 9.047 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.550 11.280 -2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.851 11.000 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.971 11.436 -3.822 1.00 0.00 H new ATOM 195 N SER A 13 -9.818 10.351 -1.407 1.00 0.00 N ATOM 196 CA SER A 13 -10.756 9.557 -0.562 1.00 0.00 C ATOM 197 C SER A 13 -11.858 8.927 -1.423 1.00 0.00 C ATOM 198 O SER A 13 -12.694 8.198 -0.928 1.00 0.00 O ATOM 199 CB SER A 13 -11.389 10.476 0.484 1.00 0.00 C ATOM 200 OG SER A 13 -11.557 11.775 -0.069 1.00 0.00 O ATOM 0 H SER A 13 -9.836 11.358 -1.248 1.00 0.00 H new ATOM 0 HA SER A 13 -10.200 8.758 -0.071 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.352 10.076 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.757 10.525 1.371 1.00 0.00 H new ATOM 0 HG SER A 13 -11.964 12.365 0.599 1.00 0.00 H new ATOM 206 N SER A 14 -11.879 9.198 -2.701 1.00 0.00 N ATOM 207 CA SER A 14 -12.941 8.605 -3.564 1.00 0.00 C ATOM 208 C SER A 14 -12.315 7.769 -4.685 1.00 0.00 C ATOM 209 O SER A 14 -12.995 7.327 -5.589 1.00 0.00 O ATOM 210 CB SER A 14 -13.777 9.725 -4.180 1.00 0.00 C ATOM 211 OG SER A 14 -14.416 9.241 -5.353 1.00 0.00 O ATOM 0 H SER A 14 -11.211 9.800 -3.182 1.00 0.00 H new ATOM 0 HA SER A 14 -13.572 7.961 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.521 10.075 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.142 10.577 -4.423 1.00 0.00 H new ATOM 0 HG SER A 14 -14.317 8.267 -5.401 1.00 0.00 H new ATOM 217 N ILE A 15 -11.029 7.541 -4.639 1.00 0.00 N ATOM 218 CA ILE A 15 -10.387 6.728 -5.715 1.00 0.00 C ATOM 219 C ILE A 15 -10.652 5.245 -5.455 1.00 0.00 C ATOM 220 O ILE A 15 -10.839 4.470 -6.371 1.00 0.00 O ATOM 221 CB ILE A 15 -8.878 6.990 -5.736 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.613 8.369 -6.350 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.182 5.922 -6.583 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.990 8.354 -7.833 1.00 0.00 C ATOM 0 H ILE A 15 -10.400 7.879 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.808 7.009 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.491 6.957 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.192 9.129 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.562 8.633 -6.235 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.109 6.111 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.372 4.938 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.569 5.956 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.800 9.336 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.391 7.606 -8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.047 8.109 -7.937 1.00 0.00 H new ATOM 236 N ARG A 16 -10.685 4.845 -4.215 1.00 0.00 N ATOM 237 CA ARG A 16 -10.959 3.413 -3.911 1.00 0.00 C ATOM 238 C ARG A 16 -12.322 3.065 -4.511 1.00 0.00 C ATOM 239 O ARG A 16 -12.476 2.091 -5.226 1.00 0.00 O ATOM 240 CB ARG A 16 -10.960 3.210 -2.383 1.00 0.00 C ATOM 241 CG ARG A 16 -11.946 2.106 -1.980 1.00 0.00 C ATOM 242 CD ARG A 16 -11.653 1.654 -0.547 1.00 0.00 C ATOM 243 NE ARG A 16 -12.779 2.058 0.342 1.00 0.00 N ATOM 244 CZ ARG A 16 -12.627 3.043 1.185 1.00 0.00 C ATOM 245 NH1 ARG A 16 -11.851 4.047 0.883 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.253 3.024 2.330 1.00 0.00 N ATOM 0 H ARG A 16 -10.535 5.444 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.195 2.763 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.957 2.949 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.230 4.143 -1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.969 2.474 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.861 1.261 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.521 0.573 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.722 2.099 -0.197 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.670 1.564 0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.363 4.063 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.733 4.816 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.861 2.240 2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.134 3.794 2.989 1.00 0.00 H new ATOM 260 N TRP A 17 -13.305 3.877 -4.237 1.00 0.00 N ATOM 261 CA TRP A 17 -14.660 3.632 -4.792 1.00 0.00 C ATOM 262 C TRP A 17 -14.556 3.493 -6.311 1.00 0.00 C ATOM 263 O TRP A 17 -14.850 2.457 -6.868 1.00 0.00 O ATOM 264 CB TRP A 17 -15.559 4.822 -4.447 1.00 0.00 C ATOM 265 CG TRP A 17 -16.979 4.504 -4.784 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.722 3.538 -4.199 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.842 5.144 -5.769 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.986 3.543 -4.763 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.108 4.516 -5.735 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.648 6.199 -6.679 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -20.146 4.920 -6.575 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -18.690 6.608 -7.526 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.937 5.970 -7.474 1.00 0.00 C ATOM 0 H TRP A 17 -13.224 4.705 -3.648 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.081 2.720 -4.370 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.472 5.058 -3.386 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.235 5.705 -4.998 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.385 2.871 -3.419 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.736 2.906 -4.494 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -16.691 6.698 -6.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -21.105 4.425 -6.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -18.530 7.419 -8.221 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.735 6.289 -8.128 1.00 0.00 H new ATOM 284 N VAL A 18 -14.163 4.544 -6.981 1.00 0.00 N ATOM 285 CA VAL A 18 -14.055 4.502 -8.469 1.00 0.00 C ATOM 286 C VAL A 18 -13.537 3.138 -8.936 1.00 0.00 C ATOM 287 O VAL A 18 -14.221 2.393 -9.609 1.00 0.00 O ATOM 288 CB VAL A 18 -13.072 5.587 -8.914 1.00 0.00 C ATOM 289 CG1 VAL A 18 -12.701 5.380 -10.384 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.723 6.962 -8.746 1.00 0.00 C ATOM 0 H VAL A 18 -13.910 5.437 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.040 4.668 -8.904 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.171 5.528 -8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.001 6.155 -10.695 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.237 4.401 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.600 5.436 -10.998 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.024 7.736 -9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.624 7.015 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.985 7.115 -7.699 1.00 0.00 H new ATOM 300 N LEU A 19 -12.316 2.825 -8.598 1.00 0.00 N ATOM 301 CA LEU A 19 -11.712 1.532 -9.027 1.00 0.00 C ATOM 302 C LEU A 19 -12.639 0.358 -8.700 1.00 0.00 C ATOM 303 O LEU A 19 -13.307 -0.172 -9.567 1.00 0.00 O ATOM 304 CB LEU A 19 -10.380 1.338 -8.302 1.00 0.00 C ATOM 305 CG LEU A 19 -9.224 1.629 -9.260 1.00 0.00 C ATOM 306 CD1 LEU A 19 -8.813 3.097 -9.135 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.033 0.736 -8.904 1.00 0.00 C ATOM 0 H LEU A 19 -11.704 3.417 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.558 1.561 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.325 2.001 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.305 0.318 -7.926 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.540 1.427 -10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.989 3.304 -9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.661 3.735 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.496 3.300 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.208 0.942 -9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.718 0.940 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.324 -0.311 -8.992 1.00 0.00 H new ATOM 319 N GLU A 20 -12.649 -0.069 -7.464 1.00 0.00 N ATOM 320 CA GLU A 20 -13.497 -1.235 -7.058 1.00 0.00 C ATOM 321 C GLU A 20 -14.799 -1.271 -7.862 1.00 0.00 C ATOM 322 O GLU A 20 -15.323 -2.325 -8.162 1.00 0.00 O ATOM 323 CB GLU A 20 -13.826 -1.117 -5.568 1.00 0.00 C ATOM 324 CG GLU A 20 -14.572 -2.369 -5.106 1.00 0.00 C ATOM 325 CD GLU A 20 -15.858 -1.961 -4.386 1.00 0.00 C ATOM 326 OE1 GLU A 20 -15.764 -1.236 -3.410 1.00 0.00 O ATOM 327 OE2 GLU A 20 -16.917 -2.380 -4.824 1.00 0.00 O ATOM 0 H GLU A 20 -12.101 0.343 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.945 -2.154 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.909 -0.994 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.436 -0.231 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.807 -3.002 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.940 -2.956 -4.440 1.00 0.00 H new ATOM 334 N ARG A 21 -15.325 -0.133 -8.217 1.00 0.00 N ATOM 335 CA ARG A 21 -16.589 -0.117 -9.003 1.00 0.00 C ATOM 336 C ARG A 21 -16.323 -0.707 -10.386 1.00 0.00 C ATOM 337 O ARG A 21 -16.944 -1.669 -10.794 1.00 0.00 O ATOM 338 CB ARG A 21 -17.085 1.324 -9.148 1.00 0.00 C ATOM 339 CG ARG A 21 -18.530 1.319 -9.646 1.00 0.00 C ATOM 340 CD ARG A 21 -19.461 0.901 -8.507 1.00 0.00 C ATOM 341 NE ARG A 21 -19.909 2.111 -7.766 1.00 0.00 N ATOM 342 CZ ARG A 21 -21.166 2.459 -7.786 1.00 0.00 C ATOM 343 NH1 ARG A 21 -22.046 1.765 -7.121 1.00 0.00 N ATOM 344 NH2 ARG A 21 -21.541 3.503 -8.473 1.00 0.00 N ATOM 0 H ARG A 21 -14.936 0.784 -7.998 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.348 -0.708 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.021 1.840 -8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.450 1.870 -9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.804 2.310 -10.009 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.634 0.632 -10.486 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -20.323 0.365 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.945 0.218 -7.832 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.234 2.668 -7.243 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -21.752 0.949 -6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -23.029 2.038 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.852 4.046 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.524 3.776 -8.490 1.00 0.00 H new ATOM 358 N ALA A 22 -15.397 -0.142 -11.108 1.00 0.00 N ATOM 359 CA ALA A 22 -15.079 -0.672 -12.461 1.00 0.00 C ATOM 360 C ALA A 22 -14.343 -2.007 -12.323 1.00 0.00 C ATOM 361 O ALA A 22 -14.046 -2.668 -13.299 1.00 0.00 O ATOM 362 CB ALA A 22 -14.188 0.330 -13.199 1.00 0.00 C ATOM 0 H ALA A 22 -14.846 0.666 -10.818 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.001 -0.823 -13.023 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.952 -0.055 -14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.711 1.282 -13.293 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.265 0.478 -12.639 1.00 0.00 H new ATOM 368 N LEU A 23 -14.042 -2.411 -11.116 1.00 0.00 N ATOM 369 CA LEU A 23 -13.324 -3.700 -10.915 1.00 0.00 C ATOM 370 C LEU A 23 -14.324 -4.786 -10.513 1.00 0.00 C ATOM 371 O LEU A 23 -14.053 -5.970 -10.625 1.00 0.00 O ATOM 372 CB LEU A 23 -12.276 -3.527 -9.818 1.00 0.00 C ATOM 373 CG LEU A 23 -10.888 -3.772 -10.417 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.882 -5.116 -11.143 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.563 -2.656 -11.411 1.00 0.00 C ATOM 0 H LEU A 23 -14.264 -1.901 -10.261 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.832 -3.995 -11.842 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.333 -2.523 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.464 -4.226 -9.003 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.142 -3.783 -9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.895 -5.294 -11.571 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.120 -5.912 -10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.626 -5.103 -11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.575 -2.827 -11.840 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.308 -2.649 -12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.574 -1.695 -10.896 1.00 0.00 H new ATOM 387 N ALA A 24 -15.483 -4.396 -10.053 1.00 0.00 N ATOM 388 CA ALA A 24 -16.503 -5.406 -9.659 1.00 0.00 C ATOM 389 C ALA A 24 -17.086 -6.028 -10.927 1.00 0.00 C ATOM 390 O ALA A 24 -17.260 -7.227 -11.021 1.00 0.00 O ATOM 391 CB ALA A 24 -17.617 -4.729 -8.860 1.00 0.00 C ATOM 0 H ALA A 24 -15.765 -3.423 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.044 -6.178 -9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.362 -5.471 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.196 -4.272 -7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.088 -3.960 -9.472 1.00 0.00 H new ATOM 397 N GLY A 25 -17.379 -5.220 -11.910 1.00 0.00 N ATOM 398 CA GLY A 25 -17.937 -5.761 -13.179 1.00 0.00 C ATOM 399 C GLY A 25 -16.908 -6.696 -13.812 1.00 0.00 C ATOM 400 O GLY A 25 -17.246 -7.654 -14.478 1.00 0.00 O ATOM 0 H GLY A 25 -17.255 -4.208 -11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.865 -6.298 -12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.178 -4.947 -13.863 1.00 0.00 H new ATOM 404 N ALA A 26 -15.648 -6.425 -13.601 1.00 0.00 N ATOM 405 CA ALA A 26 -14.590 -7.297 -14.181 1.00 0.00 C ATOM 406 C ALA A 26 -14.539 -8.609 -13.395 1.00 0.00 C ATOM 407 O ALA A 26 -14.210 -9.651 -13.926 1.00 0.00 O ATOM 408 CB ALA A 26 -13.237 -6.589 -14.086 1.00 0.00 C ATOM 0 H ALA A 26 -15.307 -5.636 -13.051 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.814 -7.504 -15.227 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.462 -7.227 -14.511 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.278 -5.651 -14.639 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.006 -6.384 -13.041 1.00 0.00 H new ATOM 414 N GLY A 27 -14.869 -8.563 -12.133 1.00 0.00 N ATOM 415 CA GLY A 27 -14.847 -9.804 -11.308 1.00 0.00 C ATOM 416 C GLY A 27 -13.439 -10.039 -10.757 1.00 0.00 C ATOM 417 O GLY A 27 -12.911 -11.131 -10.836 1.00 0.00 O ATOM 0 H GLY A 27 -15.153 -7.718 -11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.558 -9.718 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.158 -10.657 -11.911 1.00 0.00 H new ATOM 421 N LEU A 28 -12.824 -9.031 -10.195 1.00 0.00 N ATOM 422 CA LEU A 28 -11.450 -9.221 -9.642 1.00 0.00 C ATOM 423 C LEU A 28 -11.394 -8.733 -8.200 1.00 0.00 C ATOM 424 O LEU A 28 -12.358 -8.240 -7.650 1.00 0.00 O ATOM 425 CB LEU A 28 -10.440 -8.417 -10.458 1.00 0.00 C ATOM 426 CG LEU A 28 -9.569 -9.356 -11.292 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.886 -9.166 -12.776 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.095 -9.025 -11.040 1.00 0.00 C ATOM 0 H LEU A 28 -13.210 -8.092 -10.095 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.208 -10.283 -9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.963 -7.718 -11.111 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.814 -7.823 -9.792 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.770 -10.390 -11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.264 -9.836 -13.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.937 -9.392 -12.955 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.683 -8.134 -13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.466 -9.691 -11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.900 -7.992 -11.327 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.868 -9.157 -9.982 1.00 0.00 H new ATOM 440 N THR A 29 -10.248 -8.853 -7.601 1.00 0.00 N ATOM 441 CA THR A 29 -10.071 -8.387 -6.196 1.00 0.00 C ATOM 442 C THR A 29 -9.391 -7.023 -6.234 1.00 0.00 C ATOM 443 O THR A 29 -8.180 -6.915 -6.171 1.00 0.00 O ATOM 444 CB THR A 29 -9.190 -9.373 -5.428 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.862 -10.621 -5.323 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.899 -8.825 -4.024 1.00 0.00 C ATOM 0 H THR A 29 -9.414 -9.258 -8.027 1.00 0.00 H new ATOM 0 HA THR A 29 -11.038 -8.320 -5.698 1.00 0.00 H new ATOM 0 HB THR A 29 -8.249 -9.509 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.299 -11.256 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.271 -9.531 -3.481 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.382 -7.869 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.837 -8.685 -3.486 1.00 0.00 H new ATOM 454 N CYS A 30 -10.159 -5.983 -6.369 1.00 0.00 N ATOM 455 CA CYS A 30 -9.571 -4.626 -6.446 1.00 0.00 C ATOM 456 C CYS A 30 -9.274 -4.095 -5.047 1.00 0.00 C ATOM 457 O CYS A 30 -10.108 -3.477 -4.417 1.00 0.00 O ATOM 458 CB CYS A 30 -10.571 -3.703 -7.128 1.00 0.00 C ATOM 459 SG CYS A 30 -9.784 -2.116 -7.499 1.00 0.00 S ATOM 0 H CYS A 30 -11.177 -6.017 -6.430 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.640 -4.667 -7.011 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.936 -4.162 -8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.436 -3.549 -6.483 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.892 -2.281 -8.431 1.00 0.00 H new ATOM 465 N THR A 31 -8.086 -4.310 -4.563 1.00 0.00 N ATOM 466 CA THR A 31 -7.737 -3.792 -3.217 1.00 0.00 C ATOM 467 C THR A 31 -7.167 -2.383 -3.375 1.00 0.00 C ATOM 468 O THR A 31 -6.222 -2.169 -4.106 1.00 0.00 O ATOM 469 CB THR A 31 -6.691 -4.694 -2.568 1.00 0.00 C ATOM 470 OG1 THR A 31 -7.273 -5.953 -2.261 1.00 0.00 O ATOM 471 CG2 THR A 31 -6.191 -4.031 -1.289 1.00 0.00 C ATOM 0 H THR A 31 -7.344 -4.821 -5.041 1.00 0.00 H new ATOM 0 HA THR A 31 -8.625 -3.772 -2.586 1.00 0.00 H new ATOM 0 HB THR A 31 -5.857 -4.846 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.588 -6.549 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.443 -4.668 -0.817 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.746 -3.066 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.026 -3.885 -0.604 1.00 0.00 H new ATOM 479 N THR A 32 -7.736 -1.417 -2.712 1.00 0.00 N ATOM 480 CA THR A 32 -7.219 -0.028 -2.852 1.00 0.00 C ATOM 481 C THR A 32 -6.923 0.563 -1.477 1.00 0.00 C ATOM 482 O THR A 32 -7.543 0.218 -0.490 1.00 0.00 O ATOM 483 CB THR A 32 -8.263 0.841 -3.556 1.00 0.00 C ATOM 484 OG1 THR A 32 -9.511 0.713 -2.890 1.00 0.00 O ATOM 485 CG2 THR A 32 -8.410 0.391 -5.010 1.00 0.00 C ATOM 0 H THR A 32 -8.531 -1.527 -2.083 1.00 0.00 H new ATOM 0 HA THR A 32 -6.301 -0.053 -3.440 1.00 0.00 H new ATOM 0 HB THR A 32 -7.943 1.883 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.137 0.219 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.154 1.011 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.452 0.491 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.729 -0.651 -5.038 1.00 0.00 H new ATOM 493 N PHE A 33 -5.983 1.463 -1.410 1.00 0.00 N ATOM 494 CA PHE A 33 -5.643 2.093 -0.106 1.00 0.00 C ATOM 495 C PHE A 33 -5.302 3.568 -0.333 1.00 0.00 C ATOM 496 O PHE A 33 -4.383 3.901 -1.054 1.00 0.00 O ATOM 497 CB PHE A 33 -4.448 1.368 0.513 1.00 0.00 C ATOM 498 CG PHE A 33 -4.941 0.251 1.400 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.726 0.540 2.523 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.615 -1.078 1.099 1.00 0.00 C ATOM 501 CE1 PHE A 33 -6.184 -0.498 3.344 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.072 -2.115 1.920 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.857 -1.825 3.042 1.00 0.00 C ATOM 0 H PHE A 33 -5.434 1.790 -2.205 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.493 2.021 0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.806 0.967 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.845 2.067 1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.978 1.564 2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.010 -1.302 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.789 -0.275 4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.819 -3.139 1.688 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.211 -2.625 3.675 1.00 0.00 H new ATOM 513 N GLU A 34 -6.052 4.452 0.267 1.00 0.00 N ATOM 514 CA GLU A 34 -5.801 5.910 0.086 1.00 0.00 C ATOM 515 C GLU A 34 -4.339 6.243 0.429 1.00 0.00 C ATOM 516 O GLU A 34 -3.780 7.193 -0.081 1.00 0.00 O ATOM 517 CB GLU A 34 -6.782 6.692 0.990 1.00 0.00 C ATOM 518 CG GLU A 34 -6.055 7.738 1.851 1.00 0.00 C ATOM 519 CD GLU A 34 -5.587 8.895 0.967 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.039 8.972 -0.163 1.00 0.00 O ATOM 521 OE2 GLU A 34 -4.785 9.686 1.435 1.00 0.00 O ATOM 0 H GLU A 34 -6.835 4.224 0.880 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.966 6.196 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.530 7.187 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.314 5.995 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.721 8.109 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.201 7.282 2.352 1.00 0.00 H new ATOM 528 N ASN A 35 -3.720 5.485 1.292 1.00 0.00 N ATOM 529 CA ASN A 35 -2.307 5.793 1.658 1.00 0.00 C ATOM 530 C ASN A 35 -1.366 4.739 1.080 1.00 0.00 C ATOM 531 O ASN A 35 -1.518 3.554 1.309 1.00 0.00 O ATOM 532 CB ASN A 35 -2.167 5.826 3.182 1.00 0.00 C ATOM 533 CG ASN A 35 -3.266 6.711 3.774 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.345 7.962 3.412 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -4.061 6.258 4.572 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.126 4.673 1.756 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.041 6.766 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.240 4.817 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.186 6.211 3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.999 5.280 4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.791 6.855 4.960 1.00 0.00 H new ATOM 542 N GLY A 36 -0.384 5.170 0.336 1.00 0.00 N ATOM 543 CA GLY A 36 0.586 4.213 -0.262 1.00 0.00 C ATOM 544 C GLY A 36 1.244 3.403 0.847 1.00 0.00 C ATOM 545 O GLY A 36 1.354 2.198 0.767 1.00 0.00 O ATOM 0 H GLY A 36 -0.212 6.151 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.076 3.549 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.343 4.753 -0.832 1.00 0.00 H new ATOM 549 N ASN A 37 1.684 4.051 1.884 1.00 0.00 N ATOM 550 CA ASN A 37 2.331 3.305 2.990 1.00 0.00 C ATOM 551 C ASN A 37 1.387 2.191 3.453 1.00 0.00 C ATOM 552 O ASN A 37 1.629 1.024 3.218 1.00 0.00 O ATOM 553 CB ASN A 37 2.615 4.255 4.155 1.00 0.00 C ATOM 554 CG ASN A 37 3.500 3.550 5.182 1.00 0.00 C ATOM 555 OD1 ASN A 37 3.770 2.372 5.061 1.00 0.00 O ATOM 556 ND2 ASN A 37 3.965 4.225 6.197 1.00 0.00 N ATOM 0 H ASN A 37 1.624 5.061 2.013 1.00 0.00 H new ATOM 0 HA ASN A 37 3.271 2.875 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.108 5.156 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.680 4.569 4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.555 3.763 6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.738 5.214 6.299 1.00 0.00 H new ATOM 563 N GLU A 38 0.319 2.556 4.121 1.00 0.00 N ATOM 564 CA GLU A 38 -0.660 1.544 4.622 1.00 0.00 C ATOM 565 C GLU A 38 -0.766 0.369 3.647 1.00 0.00 C ATOM 566 O GLU A 38 -0.890 -0.768 4.050 1.00 0.00 O ATOM 567 CB GLU A 38 -2.034 2.203 4.756 1.00 0.00 C ATOM 568 CG GLU A 38 -2.834 1.494 5.850 1.00 0.00 C ATOM 569 CD GLU A 38 -3.056 2.451 7.023 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.083 3.021 7.488 1.00 0.00 O ATOM 571 OE2 GLU A 38 -4.195 2.598 7.436 1.00 0.00 O ATOM 0 H GLU A 38 0.083 3.523 4.342 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.319 1.172 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.921 3.259 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.569 2.151 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.793 1.158 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.300 0.606 6.188 1.00 0.00 H new ATOM 578 N VAL A 39 -0.719 0.634 2.369 1.00 0.00 N ATOM 579 CA VAL A 39 -0.817 -0.459 1.372 1.00 0.00 C ATOM 580 C VAL A 39 0.223 -1.526 1.686 1.00 0.00 C ATOM 581 O VAL A 39 -0.098 -2.672 1.923 1.00 0.00 O ATOM 582 CB VAL A 39 -0.539 0.122 -0.003 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.696 -0.964 -1.055 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.524 1.255 -0.279 1.00 0.00 C ATOM 0 H VAL A 39 -0.616 1.569 1.975 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.811 -0.906 1.401 1.00 0.00 H new ATOM 0 HB VAL A 39 0.479 0.510 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.496 -0.546 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.009 -1.771 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.713 -1.355 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.328 1.675 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.542 0.868 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.406 2.032 0.476 1.00 0.00 H new ATOM 594 N LEU A 40 1.468 -1.154 1.692 1.00 0.00 N ATOM 595 CA LEU A 40 2.537 -2.135 1.997 1.00 0.00 C ATOM 596 C LEU A 40 2.336 -2.645 3.420 1.00 0.00 C ATOM 597 O LEU A 40 2.771 -3.721 3.777 1.00 0.00 O ATOM 598 CB LEU A 40 3.896 -1.451 1.846 1.00 0.00 C ATOM 599 CG LEU A 40 4.357 -1.573 0.392 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.383 -3.046 -0.016 1.00 0.00 C ATOM 601 CD2 LEU A 40 3.380 -0.815 -0.510 1.00 0.00 C ATOM 0 H LEU A 40 1.792 -0.207 1.497 1.00 0.00 H new ATOM 0 HA LEU A 40 2.498 -2.981 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.823 -0.401 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.625 -1.912 2.512 1.00 0.00 H new ATOM 0 HG LEU A 40 5.357 -1.152 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.712 -3.131 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.073 -3.590 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.383 -3.469 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.703 -0.898 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.382 -1.242 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.358 0.236 -0.220 1.00 0.00 H new ATOM 613 N ALA A 41 1.640 -1.895 4.227 1.00 0.00 N ATOM 614 CA ALA A 41 1.369 -2.360 5.611 1.00 0.00 C ATOM 615 C ALA A 41 0.470 -3.590 5.502 1.00 0.00 C ATOM 616 O ALA A 41 0.606 -4.547 6.236 1.00 0.00 O ATOM 617 CB ALA A 41 0.656 -1.256 6.392 1.00 0.00 C ATOM 0 H ALA A 41 1.249 -0.984 3.988 1.00 0.00 H new ATOM 0 HA ALA A 41 2.294 -2.604 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.458 -1.599 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.287 -0.368 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.286 -1.013 5.901 1.00 0.00 H new ATOM 623 N ALA A 42 -0.428 -3.572 4.552 1.00 0.00 N ATOM 624 CA ALA A 42 -1.319 -4.739 4.341 1.00 0.00 C ATOM 625 C ALA A 42 -0.557 -5.752 3.489 1.00 0.00 C ATOM 626 O ALA A 42 -0.869 -6.926 3.468 1.00 0.00 O ATOM 627 CB ALA A 42 -2.592 -4.300 3.612 1.00 0.00 C ATOM 0 H ALA A 42 -0.579 -2.792 3.912 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.606 -5.178 5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.241 -5.163 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.115 -3.553 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.328 -3.871 2.645 1.00 0.00 H new ATOM 633 N LEU A 43 0.463 -5.302 2.802 1.00 0.00 N ATOM 634 CA LEU A 43 1.275 -6.229 1.972 1.00 0.00 C ATOM 635 C LEU A 43 1.802 -7.334 2.880 1.00 0.00 C ATOM 636 O LEU A 43 2.189 -8.395 2.439 1.00 0.00 O ATOM 637 CB LEU A 43 2.450 -5.462 1.357 1.00 0.00 C ATOM 638 CG LEU A 43 3.358 -6.416 0.573 1.00 0.00 C ATOM 639 CD1 LEU A 43 4.255 -7.189 1.541 1.00 0.00 C ATOM 640 CD2 LEU A 43 2.501 -7.397 -0.234 1.00 0.00 C ATOM 0 H LEU A 43 0.765 -4.328 2.783 1.00 0.00 H new ATOM 0 HA LEU A 43 0.672 -6.655 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.076 -4.680 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.022 -4.969 2.143 1.00 0.00 H new ATOM 0 HG LEU A 43 3.982 -5.838 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.899 -7.866 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.870 -6.488 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.636 -7.765 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.149 -8.074 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.871 -7.973 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.872 -6.843 -0.931 1.00 0.00 H new ATOM 652 N ALA A 44 1.820 -7.081 4.157 1.00 0.00 N ATOM 653 CA ALA A 44 2.312 -8.108 5.116 1.00 0.00 C ATOM 654 C ALA A 44 1.681 -9.462 4.773 1.00 0.00 C ATOM 655 O ALA A 44 2.329 -10.490 4.815 1.00 0.00 O ATOM 656 CB ALA A 44 1.919 -7.696 6.537 1.00 0.00 C ATOM 0 H ALA A 44 1.514 -6.205 4.580 1.00 0.00 H new ATOM 0 HA ALA A 44 3.397 -8.190 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.276 -8.444 7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.366 -6.730 6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.834 -7.620 6.607 1.00 0.00 H new ATOM 662 N SER A 45 0.421 -9.468 4.422 1.00 0.00 N ATOM 663 CA SER A 45 -0.257 -10.751 4.065 1.00 0.00 C ATOM 664 C SER A 45 0.428 -11.354 2.836 1.00 0.00 C ATOM 665 O SER A 45 0.623 -12.549 2.756 1.00 0.00 O ATOM 666 CB SER A 45 -1.728 -10.481 3.749 1.00 0.00 C ATOM 667 OG SER A 45 -2.524 -11.528 4.288 1.00 0.00 O ATOM 0 H SER A 45 -0.169 -8.638 4.367 1.00 0.00 H new ATOM 0 HA SER A 45 -0.191 -11.447 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.033 -9.523 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.874 -10.416 2.671 1.00 0.00 H new ATOM 0 HG SER A 45 -3.468 -11.357 4.089 1.00 0.00 H new ATOM 673 N LYS A 46 0.791 -10.514 1.892 1.00 0.00 N ATOM 674 CA LYS A 46 1.485 -10.962 0.646 1.00 0.00 C ATOM 675 C LYS A 46 0.492 -11.076 -0.511 1.00 0.00 C ATOM 676 O LYS A 46 -0.110 -12.109 -0.728 1.00 0.00 O ATOM 677 CB LYS A 46 2.176 -12.306 0.858 1.00 0.00 C ATOM 678 CG LYS A 46 3.376 -12.386 -0.076 1.00 0.00 C ATOM 679 CD LYS A 46 4.548 -13.039 0.655 1.00 0.00 C ATOM 680 CE LYS A 46 4.868 -14.392 0.016 1.00 0.00 C ATOM 681 NZ LYS A 46 3.914 -15.418 0.523 1.00 0.00 N ATOM 0 H LYS A 46 0.628 -9.508 1.939 1.00 0.00 H new ATOM 0 HA LYS A 46 2.239 -10.214 0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.496 -12.408 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.484 -13.124 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.121 -12.963 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.655 -11.388 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.423 -12.390 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.302 -13.173 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.798 -14.319 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.892 -14.684 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.131 -16.338 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.002 -15.493 1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.942 -15.140 0.278 1.00 0.00 H new ATOM 695 N THR A 47 0.335 -10.024 -1.274 1.00 0.00 N ATOM 696 CA THR A 47 -0.594 -10.074 -2.434 1.00 0.00 C ATOM 697 C THR A 47 -0.041 -11.085 -3.445 1.00 0.00 C ATOM 698 O THR A 47 1.080 -11.532 -3.301 1.00 0.00 O ATOM 699 CB THR A 47 -0.670 -8.689 -3.075 1.00 0.00 C ATOM 700 OG1 THR A 47 0.573 -8.384 -3.692 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.980 -7.645 -2.003 1.00 0.00 C ATOM 0 H THR A 47 0.813 -9.133 -1.140 1.00 0.00 H new ATOM 0 HA THR A 47 -1.592 -10.373 -2.115 1.00 0.00 H new ATOM 0 HB THR A 47 -1.460 -8.680 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.061 -7.735 -3.142 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.034 -6.658 -2.462 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.935 -7.879 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.193 -7.653 -1.249 1.00 0.00 H new ATOM 709 N PRO A 48 -0.827 -11.426 -4.439 1.00 0.00 N ATOM 710 CA PRO A 48 -0.276 -12.405 -5.404 1.00 0.00 C ATOM 711 C PRO A 48 -0.424 -11.955 -6.868 1.00 0.00 C ATOM 712 O PRO A 48 0.203 -12.523 -7.739 1.00 0.00 O ATOM 713 CB PRO A 48 -1.076 -13.684 -5.160 1.00 0.00 C ATOM 714 CG PRO A 48 -2.397 -13.249 -4.510 1.00 0.00 C ATOM 715 CD PRO A 48 -2.149 -11.857 -3.908 1.00 0.00 C ATOM 0 HA PRO A 48 0.796 -12.531 -5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.259 -14.213 -6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.529 -14.367 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.200 -13.216 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.701 -13.957 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.935 -11.159 -4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.141 -11.896 -2.819 1.00 0.00 H new ATOM 723 N ASP A 49 -1.237 -10.974 -7.182 1.00 0.00 N ATOM 724 CA ASP A 49 -1.351 -10.599 -8.619 1.00 0.00 C ATOM 725 C ASP A 49 -0.402 -9.452 -8.960 1.00 0.00 C ATOM 726 O ASP A 49 0.571 -9.635 -9.662 1.00 0.00 O ATOM 727 CB ASP A 49 -2.782 -10.184 -8.938 1.00 0.00 C ATOM 728 CG ASP A 49 -3.411 -11.223 -9.864 1.00 0.00 C ATOM 729 OD1 ASP A 49 -3.656 -12.325 -9.402 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.632 -10.902 -11.021 1.00 0.00 O ATOM 0 H ASP A 49 -1.806 -10.436 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.079 -11.468 -9.218 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.362 -10.099 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.792 -9.203 -9.413 1.00 0.00 H new ATOM 735 N VAL A 50 -0.681 -8.269 -8.493 1.00 0.00 N ATOM 736 CA VAL A 50 0.206 -7.117 -8.834 1.00 0.00 C ATOM 737 C VAL A 50 -0.059 -5.950 -7.886 1.00 0.00 C ATOM 738 O VAL A 50 -1.179 -5.699 -7.487 1.00 0.00 O ATOM 739 CB VAL A 50 -0.105 -6.665 -10.268 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.401 -5.236 -10.500 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.578 -7.595 -11.267 1.00 0.00 C ATOM 0 H VAL A 50 -1.477 -8.048 -7.895 1.00 0.00 H new ATOM 0 HA VAL A 50 1.247 -7.426 -8.743 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.185 -6.696 -10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.173 -4.931 -11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.089 -4.559 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.479 -5.202 -10.343 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.352 -7.268 -12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.656 -7.570 -11.109 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.214 -8.612 -11.125 1.00 0.00 H new ATOM 751 N LEU A 51 0.961 -5.220 -7.535 1.00 0.00 N ATOM 752 CA LEU A 51 0.743 -4.060 -6.632 1.00 0.00 C ATOM 753 C LEU A 51 0.752 -2.780 -7.465 1.00 0.00 C ATOM 754 O LEU A 51 1.683 -2.516 -8.201 1.00 0.00 O ATOM 755 CB LEU A 51 1.844 -4.005 -5.578 1.00 0.00 C ATOM 756 CG LEU A 51 1.200 -3.972 -4.192 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.410 -2.674 -4.023 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.251 -5.167 -4.040 1.00 0.00 C ATOM 0 H LEU A 51 1.925 -5.374 -7.830 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.216 -4.163 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.497 -4.873 -5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.465 -3.121 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 51 1.979 -4.025 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.048 -2.653 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.082 -1.823 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.368 -2.620 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.208 -5.144 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.526 -5.114 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.812 -6.094 -4.158 1.00 0.00 H new ATOM 770 N LEU A 52 -0.280 -1.990 -7.370 1.00 0.00 N ATOM 771 CA LEU A 52 -0.328 -0.739 -8.174 1.00 0.00 C ATOM 772 C LEU A 52 -0.259 0.481 -7.256 1.00 0.00 C ATOM 773 O LEU A 52 -0.534 0.403 -6.075 1.00 0.00 O ATOM 774 CB LEU A 52 -1.632 -0.703 -8.971 1.00 0.00 C ATOM 775 CG LEU A 52 -1.318 -0.602 -10.463 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.175 -1.609 -11.232 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.629 0.813 -10.955 1.00 0.00 C ATOM 0 H LEU A 52 -1.090 -2.156 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 52 0.523 -0.718 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.217 -1.601 -8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.238 0.147 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.263 -0.820 -10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.952 -1.538 -12.297 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.954 -2.617 -10.881 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.230 -1.390 -11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.405 0.886 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.684 1.032 -10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.020 1.531 -10.406 1.00 0.00 H new ATOM 789 N SER A 53 0.106 1.612 -7.794 1.00 0.00 N ATOM 790 CA SER A 53 0.188 2.844 -6.959 1.00 0.00 C ATOM 791 C SER A 53 -0.025 4.075 -7.846 1.00 0.00 C ATOM 792 O SER A 53 0.583 4.212 -8.889 1.00 0.00 O ATOM 793 CB SER A 53 1.564 2.924 -6.297 1.00 0.00 C ATOM 794 OG SER A 53 2.100 1.614 -6.164 1.00 0.00 O ATOM 0 H SER A 53 0.351 1.737 -8.776 1.00 0.00 H new ATOM 0 HA SER A 53 -0.582 2.812 -6.188 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.232 3.543 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.482 3.397 -5.318 1.00 0.00 H new ATOM 0 HG SER A 53 2.983 1.663 -5.741 1.00 0.00 H new ATOM 800 N ASP A 54 -0.885 4.973 -7.442 1.00 0.00 N ATOM 801 CA ASP A 54 -1.134 6.193 -8.266 1.00 0.00 C ATOM 802 C ASP A 54 -0.208 7.322 -7.803 1.00 0.00 C ATOM 803 O ASP A 54 0.077 7.460 -6.630 1.00 0.00 O ATOM 804 CB ASP A 54 -2.591 6.634 -8.100 1.00 0.00 C ATOM 805 CG ASP A 54 -2.989 7.536 -9.270 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.288 8.506 -9.508 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.987 7.242 -9.908 1.00 0.00 O ATOM 0 H ASP A 54 -1.425 4.915 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.938 5.967 -9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.244 5.762 -8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.715 7.167 -7.158 1.00 0.00 H new ATOM 812 N ILE A 55 0.263 8.132 -8.713 1.00 0.00 N ATOM 813 CA ILE A 55 1.165 9.251 -8.318 1.00 0.00 C ATOM 814 C ILE A 55 0.316 10.481 -7.969 1.00 0.00 C ATOM 815 O ILE A 55 0.109 11.365 -8.777 1.00 0.00 O ATOM 816 CB ILE A 55 2.125 9.567 -9.472 1.00 0.00 C ATOM 817 CG1 ILE A 55 3.208 10.545 -8.994 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.354 10.174 -10.647 1.00 0.00 C ATOM 819 CD1 ILE A 55 2.605 11.935 -8.774 1.00 0.00 C ATOM 0 H ILE A 55 0.062 8.067 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 55 1.753 8.967 -7.445 1.00 0.00 H new ATOM 0 HB ILE A 55 2.599 8.643 -9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.652 10.182 -8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.009 10.601 -9.731 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.045 10.394 -11.461 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.601 9.466 -10.993 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.866 11.094 -10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.383 12.620 -8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.182 12.301 -9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.820 11.876 -8.020 1.00 0.00 H new ATOM 831 N ARG A 56 -0.185 10.533 -6.765 1.00 0.00 N ATOM 832 CA ARG A 56 -1.028 11.689 -6.350 1.00 0.00 C ATOM 833 C ARG A 56 -1.503 11.466 -4.911 1.00 0.00 C ATOM 834 O ARG A 56 -2.041 10.427 -4.581 1.00 0.00 O ATOM 835 CB ARG A 56 -2.238 11.797 -7.286 1.00 0.00 C ATOM 836 CG ARG A 56 -3.333 12.651 -6.638 1.00 0.00 C ATOM 837 CD ARG A 56 -2.794 14.052 -6.361 1.00 0.00 C ATOM 838 NE ARG A 56 -3.935 14.980 -6.121 1.00 0.00 N ATOM 839 CZ ARG A 56 -4.206 15.925 -6.981 1.00 0.00 C ATOM 840 NH1 ARG A 56 -3.873 15.788 -8.235 1.00 0.00 N ATOM 841 NH2 ARG A 56 -4.813 17.012 -6.585 1.00 0.00 N ATOM 0 H ARG A 56 -0.046 9.821 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.450 12.612 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.935 12.240 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.625 10.803 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.201 12.708 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.667 12.189 -5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.135 14.036 -5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.200 14.399 -7.206 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.506 14.877 -5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.399 14.940 -8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.087 16.528 -8.903 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.075 17.122 -5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.025 17.751 -7.256 1.00 0.00 H new ATOM 855 N MET A 57 -1.306 12.428 -4.051 1.00 0.00 N ATOM 856 CA MET A 57 -1.744 12.260 -2.637 1.00 0.00 C ATOM 857 C MET A 57 -1.531 13.574 -1.881 1.00 0.00 C ATOM 858 O MET A 57 -0.732 14.396 -2.283 1.00 0.00 O ATOM 859 CB MET A 57 -0.917 11.144 -1.991 1.00 0.00 C ATOM 860 CG MET A 57 0.537 11.597 -1.849 1.00 0.00 C ATOM 861 SD MET A 57 1.106 11.268 -0.162 1.00 0.00 S ATOM 862 CE MET A 57 0.405 9.607 -0.006 1.00 0.00 C ATOM 0 H MET A 57 -0.862 13.321 -4.266 1.00 0.00 H new ATOM 0 HA MET A 57 -2.801 11.996 -2.601 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.327 10.894 -1.013 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.969 10.241 -2.599 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.166 11.069 -2.566 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.622 12.660 -2.073 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.972 9.041 0.733 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.635 9.679 0.312 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.455 9.099 -0.969 1.00 0.00 H new ATOM 872 N PRO A 58 -2.260 13.733 -0.806 1.00 0.00 N ATOM 873 CA PRO A 58 -2.113 14.981 -0.027 1.00 0.00 C ATOM 874 C PRO A 58 -0.696 15.088 0.542 1.00 0.00 C ATOM 875 O PRO A 58 -0.010 14.101 0.719 1.00 0.00 O ATOM 876 CB PRO A 58 -3.143 14.858 1.097 1.00 0.00 C ATOM 877 CG PRO A 58 -3.426 13.353 1.261 1.00 0.00 C ATOM 878 CD PRO A 58 -2.968 12.676 -0.042 1.00 0.00 C ATOM 0 HA PRO A 58 -2.273 15.873 -0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.760 15.285 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.055 15.401 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.887 12.948 2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.487 13.175 1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.310 11.832 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.818 12.288 -0.603 1.00 0.00 H new ATOM 886 N GLY A 59 -0.251 16.282 0.823 1.00 0.00 N ATOM 887 CA GLY A 59 1.123 16.456 1.374 1.00 0.00 C ATOM 888 C GLY A 59 2.028 17.054 0.294 1.00 0.00 C ATOM 889 O GLY A 59 3.234 17.106 0.439 1.00 0.00 O ATOM 0 H GLY A 59 -0.780 17.145 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.098 17.109 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.519 15.496 1.706 1.00 0.00 H new ATOM 893 N MET A 60 1.454 17.504 -0.790 1.00 0.00 N ATOM 894 CA MET A 60 2.277 18.098 -1.881 1.00 0.00 C ATOM 895 C MET A 60 3.250 17.044 -2.415 1.00 0.00 C ATOM 896 O MET A 60 3.238 15.904 -1.993 1.00 0.00 O ATOM 897 CB MET A 60 3.063 19.292 -1.335 1.00 0.00 C ATOM 898 CG MET A 60 2.237 20.569 -1.513 1.00 0.00 C ATOM 899 SD MET A 60 2.213 21.497 0.040 1.00 0.00 S ATOM 900 CE MET A 60 0.476 21.999 -0.024 1.00 0.00 C ATOM 0 H MET A 60 0.450 17.485 -0.966 1.00 0.00 H new ATOM 0 HA MET A 60 1.626 18.433 -2.688 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.293 19.139 -0.281 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.014 19.385 -1.859 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.662 21.182 -2.308 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.220 20.317 -1.814 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.237 22.595 0.857 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.301 22.592 -0.922 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.158 21.113 -0.045 1.00 0.00 H new ATOM 910 N ASP A 61 4.092 17.413 -3.342 1.00 0.00 N ATOM 911 CA ASP A 61 5.063 16.427 -3.899 1.00 0.00 C ATOM 912 C ASP A 61 4.306 15.190 -4.392 1.00 0.00 C ATOM 913 O ASP A 61 3.191 15.281 -4.867 1.00 0.00 O ATOM 914 CB ASP A 61 6.055 16.018 -2.809 1.00 0.00 C ATOM 915 CG ASP A 61 6.622 17.270 -2.137 1.00 0.00 C ATOM 916 OD1 ASP A 61 6.341 18.357 -2.616 1.00 0.00 O ATOM 917 OD2 ASP A 61 7.329 17.122 -1.153 1.00 0.00 O ATOM 0 H ASP A 61 4.150 18.352 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 61 5.604 16.878 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.560 15.389 -2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.863 15.427 -3.241 1.00 0.00 H new ATOM 922 N GLY A 62 4.902 14.032 -4.287 1.00 0.00 N ATOM 923 CA GLY A 62 4.213 12.794 -4.752 1.00 0.00 C ATOM 924 C GLY A 62 3.786 11.960 -3.543 1.00 0.00 C ATOM 925 O GLY A 62 2.909 12.339 -2.794 1.00 0.00 O ATOM 0 H GLY A 62 5.835 13.890 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.342 13.054 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.879 12.213 -5.391 1.00 0.00 H new ATOM 929 N LEU A 63 4.402 10.823 -3.348 1.00 0.00 N ATOM 930 CA LEU A 63 4.032 9.963 -2.186 1.00 0.00 C ATOM 931 C LEU A 63 5.299 9.548 -1.437 1.00 0.00 C ATOM 932 O LEU A 63 5.369 9.614 -0.226 1.00 0.00 O ATOM 933 CB LEU A 63 3.301 8.711 -2.684 1.00 0.00 C ATOM 934 CG LEU A 63 2.557 9.025 -3.984 1.00 0.00 C ATOM 935 CD1 LEU A 63 3.474 8.752 -5.177 1.00 0.00 C ATOM 936 CD2 LEU A 63 1.313 8.140 -4.086 1.00 0.00 C ATOM 0 H LEU A 63 5.144 10.454 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 63 3.378 10.521 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.015 7.904 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.598 8.365 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 63 2.260 10.074 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.943 8.976 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.361 9.382 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.772 7.704 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.783 8.363 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.611 7.092 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.658 8.334 -3.237 1.00 0.00 H new ATOM 948 N ALA A 64 6.302 9.123 -2.153 1.00 0.00 N ATOM 949 CA ALA A 64 7.574 8.701 -1.494 1.00 0.00 C ATOM 950 C ALA A 64 7.404 7.308 -0.886 1.00 0.00 C ATOM 951 O ALA A 64 7.470 7.132 0.314 1.00 0.00 O ATOM 952 CB ALA A 64 7.935 9.694 -0.389 1.00 0.00 C ATOM 0 H ALA A 64 6.298 9.049 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 64 8.370 8.678 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.864 9.384 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.063 10.687 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.136 9.720 0.352 1.00 0.00 H new ATOM 958 N LEU A 65 7.191 6.314 -1.704 1.00 0.00 N ATOM 959 CA LEU A 65 7.023 4.934 -1.167 1.00 0.00 C ATOM 960 C LEU A 65 7.534 3.918 -2.189 1.00 0.00 C ATOM 961 O LEU A 65 7.271 2.740 -2.085 1.00 0.00 O ATOM 962 CB LEU A 65 5.545 4.672 -0.872 1.00 0.00 C ATOM 963 CG LEU A 65 4.797 4.401 -2.175 1.00 0.00 C ATOM 964 CD1 LEU A 65 3.306 4.259 -1.883 1.00 0.00 C ATOM 965 CD2 LEU A 65 5.024 5.567 -3.137 1.00 0.00 C ATOM 0 H LEU A 65 7.126 6.397 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 65 7.596 4.834 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.444 3.819 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.108 5.532 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 65 5.165 3.480 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.770 4.065 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.148 3.430 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.934 5.180 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.492 5.378 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.652 6.488 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.090 5.668 -3.342 1.00 0.00 H new ATOM 977 N LEU A 66 8.275 4.348 -3.170 1.00 0.00 N ATOM 978 CA LEU A 66 8.798 3.364 -4.153 1.00 0.00 C ATOM 979 C LEU A 66 9.757 2.449 -3.406 1.00 0.00 C ATOM 980 O LEU A 66 9.756 1.247 -3.581 1.00 0.00 O ATOM 981 CB LEU A 66 9.526 4.085 -5.288 1.00 0.00 C ATOM 982 CG LEU A 66 8.673 4.016 -6.556 1.00 0.00 C ATOM 983 CD1 LEU A 66 8.597 2.567 -7.040 1.00 0.00 C ATOM 984 CD2 LEU A 66 7.262 4.525 -6.246 1.00 0.00 C ATOM 0 H LEU A 66 8.537 5.320 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 66 7.984 2.790 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.711 5.124 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.498 3.624 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 66 9.122 4.635 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.989 2.517 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.601 2.203 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.146 1.948 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.652 4.477 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.813 3.904 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.316 5.557 -5.899 1.00 0.00 H new ATOM 996 N LYS A 67 10.547 3.013 -2.539 1.00 0.00 N ATOM 997 CA LYS A 67 11.476 2.183 -1.736 1.00 0.00 C ATOM 998 C LYS A 67 10.631 1.396 -0.734 1.00 0.00 C ATOM 999 O LYS A 67 10.997 0.323 -0.294 1.00 0.00 O ATOM 1000 CB LYS A 67 12.462 3.092 -0.996 1.00 0.00 C ATOM 1001 CG LYS A 67 13.895 2.724 -1.389 1.00 0.00 C ATOM 1002 CD LYS A 67 14.784 3.965 -1.289 1.00 0.00 C ATOM 1003 CE LYS A 67 15.882 3.897 -2.350 1.00 0.00 C ATOM 1004 NZ LYS A 67 16.675 2.649 -2.164 1.00 0.00 N ATOM 0 H LYS A 67 10.588 4.015 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 67 12.046 1.504 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.264 4.136 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.331 2.987 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.273 1.939 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.915 2.329 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.186 4.865 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.228 4.027 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.441 3.915 -3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.532 4.769 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.576 2.731 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.864 2.506 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.139 1.838 -2.534 1.00 0.00 H new ATOM 1018 N GLN A 68 9.481 1.924 -0.396 1.00 0.00 N ATOM 1019 CA GLN A 68 8.572 1.223 0.553 1.00 0.00 C ATOM 1020 C GLN A 68 8.198 -0.133 -0.058 1.00 0.00 C ATOM 1021 O GLN A 68 8.428 -1.167 0.534 1.00 0.00 O ATOM 1022 CB GLN A 68 7.321 2.107 0.793 1.00 0.00 C ATOM 1023 CG GLN A 68 6.037 1.276 0.982 1.00 0.00 C ATOM 1024 CD GLN A 68 5.104 1.477 -0.217 1.00 0.00 C ATOM 1025 OE1 GLN A 68 5.414 1.080 -1.322 1.00 0.00 O ATOM 1026 NE2 GLN A 68 3.961 2.082 -0.043 1.00 0.00 N ATOM 0 H GLN A 68 9.133 2.818 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 68 9.053 1.052 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.482 2.726 1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.191 2.783 -0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.289 0.220 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.532 1.575 1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.697 2.417 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.331 2.220 -0.834 1.00 0.00 H new ATOM 1035 N ILE A 69 7.606 -0.129 -1.226 1.00 0.00 N ATOM 1036 CA ILE A 69 7.194 -1.412 -1.872 1.00 0.00 C ATOM 1037 C ILE A 69 8.241 -2.503 -1.613 1.00 0.00 C ATOM 1038 O ILE A 69 7.998 -3.453 -0.902 1.00 0.00 O ATOM 1039 CB ILE A 69 7.057 -1.182 -3.384 1.00 0.00 C ATOM 1040 CG1 ILE A 69 5.725 -0.483 -3.673 1.00 0.00 C ATOM 1041 CG2 ILE A 69 7.087 -2.521 -4.127 1.00 0.00 C ATOM 1042 CD1 ILE A 69 5.989 0.961 -4.104 1.00 0.00 C ATOM 0 H ILE A 69 7.390 0.712 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 69 6.242 -1.737 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 69 7.887 -0.563 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.186 -1.015 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.094 -0.499 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.989 -2.345 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.032 -3.027 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.262 -3.145 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.041 1.458 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.510 1.489 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.604 0.965 -5.004 1.00 0.00 H new ATOM 1054 N LYS A 70 9.399 -2.380 -2.203 1.00 0.00 N ATOM 1055 CA LYS A 70 10.448 -3.420 -2.002 1.00 0.00 C ATOM 1056 C LYS A 70 10.598 -3.730 -0.512 1.00 0.00 C ATOM 1057 O LYS A 70 10.264 -4.810 -0.067 1.00 0.00 O ATOM 1058 CB LYS A 70 11.782 -2.919 -2.562 1.00 0.00 C ATOM 1059 CG LYS A 70 11.899 -3.325 -4.032 1.00 0.00 C ATOM 1060 CD LYS A 70 13.028 -4.348 -4.190 1.00 0.00 C ATOM 1061 CE LYS A 70 14.258 -3.666 -4.792 1.00 0.00 C ATOM 1062 NZ LYS A 70 15.307 -3.520 -3.742 1.00 0.00 N ATOM 0 H LYS A 70 9.663 -1.607 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 70 10.154 -4.329 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.845 -1.835 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.610 -3.338 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.957 -3.750 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.099 -2.448 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.278 -4.782 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.703 -5.167 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.642 -4.254 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.987 -2.688 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.144 -3.056 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.938 -2.942 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.572 -4.459 -3.383 1.00 0.00 H new ATOM 1076 N GLN A 71 11.122 -2.803 0.251 1.00 0.00 N ATOM 1077 CA GLN A 71 11.316 -3.040 1.716 1.00 0.00 C ATOM 1078 C GLN A 71 10.180 -3.905 2.273 1.00 0.00 C ATOM 1079 O GLN A 71 10.364 -4.675 3.194 1.00 0.00 O ATOM 1080 CB GLN A 71 11.322 -1.693 2.442 1.00 0.00 C ATOM 1081 CG GLN A 71 12.725 -1.084 2.379 1.00 0.00 C ATOM 1082 CD GLN A 71 12.981 -0.258 3.641 1.00 0.00 C ATOM 1083 OE1 GLN A 71 12.091 0.399 4.142 1.00 0.00 O ATOM 1084 NE2 GLN A 71 14.171 -0.264 4.179 1.00 0.00 N ATOM 0 H GLN A 71 11.426 -1.887 -0.079 1.00 0.00 H new ATOM 0 HA GLN A 71 12.263 -3.558 1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.600 -1.018 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.018 -1.826 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.472 -1.873 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.820 -0.455 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.918 -0.816 3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.353 0.283 5.020 1.00 0.00 H new ATOM 1093 N ARG A 72 9.005 -3.779 1.719 1.00 0.00 N ATOM 1094 CA ARG A 72 7.851 -4.585 2.210 1.00 0.00 C ATOM 1095 C ARG A 72 7.498 -5.654 1.171 1.00 0.00 C ATOM 1096 O ARG A 72 7.892 -6.798 1.290 1.00 0.00 O ATOM 1097 CB ARG A 72 6.654 -3.654 2.438 1.00 0.00 C ATOM 1098 CG ARG A 72 7.059 -2.531 3.394 1.00 0.00 C ATOM 1099 CD ARG A 72 6.323 -2.695 4.725 1.00 0.00 C ATOM 1100 NE ARG A 72 7.088 -2.004 5.802 1.00 0.00 N ATOM 1101 CZ ARG A 72 6.533 -1.033 6.476 1.00 0.00 C ATOM 1102 NH1 ARG A 72 5.773 -0.166 5.864 1.00 0.00 N ATOM 1103 NH2 ARG A 72 6.740 -0.930 7.760 1.00 0.00 N ATOM 0 H ARG A 72 8.794 -3.150 0.944 1.00 0.00 H new ATOM 0 HA ARG A 72 8.110 -5.076 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.319 -3.235 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.817 -4.215 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.136 -2.551 3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.822 -1.563 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.319 -2.277 4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.212 -3.753 4.964 1.00 0.00 H new ATOM 0 HE ARG A 72 8.044 -2.290 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.613 -0.247 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.339 0.593 6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.335 -1.608 8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.307 -0.172 8.287 1.00 0.00 H new ATOM 1117 N HIS A 73 6.763 -5.285 0.153 1.00 0.00 N ATOM 1118 CA HIS A 73 6.376 -6.259 -0.912 1.00 0.00 C ATOM 1119 C HIS A 73 7.516 -7.253 -1.164 1.00 0.00 C ATOM 1120 O HIS A 73 8.674 -6.884 -1.170 1.00 0.00 O ATOM 1121 CB HIS A 73 6.092 -5.486 -2.201 1.00 0.00 C ATOM 1122 CG HIS A 73 4.742 -5.863 -2.743 1.00 0.00 C ATOM 1123 ND1 HIS A 73 4.595 -6.662 -3.865 1.00 0.00 N ATOM 1124 CD2 HIS A 73 3.467 -5.549 -2.340 1.00 0.00 C ATOM 1125 CE1 HIS A 73 3.277 -6.796 -4.097 1.00 0.00 C ATOM 1126 NE2 HIS A 73 2.547 -6.140 -3.195 1.00 0.00 N ATOM 0 H HIS A 73 6.410 -4.338 0.013 1.00 0.00 H new ATOM 0 HA HIS A 73 5.491 -6.810 -0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.128 -4.414 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.863 -5.702 -2.941 1.00 0.00 H new ATOM 0 HD1 HIS A 73 5.349 -7.074 -4.415 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.218 -4.935 -1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.861 -7.366 -4.915 1.00 0.00 H new ATOM 1134 N PRO A 74 7.140 -8.486 -1.366 1.00 0.00 N ATOM 1135 CA PRO A 74 8.163 -9.525 -1.621 1.00 0.00 C ATOM 1136 C PRO A 74 8.979 -9.172 -2.870 1.00 0.00 C ATOM 1137 O PRO A 74 10.104 -8.722 -2.782 1.00 0.00 O ATOM 1138 CB PRO A 74 7.358 -10.804 -1.847 1.00 0.00 C ATOM 1139 CG PRO A 74 5.950 -10.356 -2.281 1.00 0.00 C ATOM 1140 CD PRO A 74 5.788 -8.902 -1.809 1.00 0.00 C ATOM 0 HA PRO A 74 8.874 -9.624 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.822 -11.425 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.313 -11.401 -0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.837 -10.427 -3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.186 -10.995 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.424 -8.264 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.067 -8.830 -0.995 1.00 0.00 H new ATOM 1148 N MET A 75 8.420 -9.372 -4.033 1.00 0.00 N ATOM 1149 CA MET A 75 9.163 -9.046 -5.285 1.00 0.00 C ATOM 1150 C MET A 75 8.299 -9.396 -6.499 1.00 0.00 C ATOM 1151 O MET A 75 8.714 -10.121 -7.380 1.00 0.00 O ATOM 1152 CB MET A 75 10.467 -9.846 -5.333 1.00 0.00 C ATOM 1153 CG MET A 75 10.184 -11.311 -4.997 1.00 0.00 C ATOM 1154 SD MET A 75 11.654 -12.307 -5.352 1.00 0.00 S ATOM 1155 CE MET A 75 12.738 -11.576 -4.101 1.00 0.00 C ATOM 0 H MET A 75 7.481 -9.747 -4.171 1.00 0.00 H new ATOM 0 HA MET A 75 9.394 -7.981 -5.301 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.916 -9.770 -6.323 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.185 -9.432 -4.625 1.00 0.00 H new ATOM 0 HG2 MET A 75 9.911 -11.408 -3.946 1.00 0.00 H new ATOM 0 HG3 MET A 75 9.337 -11.672 -5.581 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.555 -12.263 -3.881 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.145 -10.637 -4.476 1.00 0.00 H new ATOM 0 HE3 MET A 75 12.168 -11.387 -3.191 1.00 0.00 H new ATOM 1165 N LEU A 76 7.101 -8.881 -6.550 1.00 0.00 N ATOM 1166 CA LEU A 76 6.208 -9.175 -7.706 1.00 0.00 C ATOM 1167 C LEU A 76 5.935 -7.862 -8.461 1.00 0.00 C ATOM 1168 O LEU A 76 5.916 -6.804 -7.863 1.00 0.00 O ATOM 1169 CB LEU A 76 4.912 -9.810 -7.180 1.00 0.00 C ATOM 1170 CG LEU A 76 4.150 -8.820 -6.302 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.194 -7.987 -7.161 1.00 0.00 C ATOM 1172 CD2 LEU A 76 3.349 -9.604 -5.260 1.00 0.00 C ATOM 0 H LEU A 76 6.702 -8.268 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 76 6.673 -9.877 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.286 -10.120 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.146 -10.708 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 76 4.854 -8.150 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.654 -7.283 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.763 -7.437 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.483 -8.647 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.799 -8.909 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.647 -10.268 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.030 -10.195 -4.647 1.00 0.00 H new ATOM 1184 N PRO A 77 5.789 -7.971 -9.764 1.00 0.00 N ATOM 1185 CA PRO A 77 5.583 -6.749 -10.583 1.00 0.00 C ATOM 1186 C PRO A 77 4.788 -5.669 -9.841 1.00 0.00 C ATOM 1187 O PRO A 77 3.806 -5.929 -9.165 1.00 0.00 O ATOM 1188 CB PRO A 77 4.846 -7.232 -11.832 1.00 0.00 C ATOM 1189 CG PRO A 77 4.177 -8.561 -11.455 1.00 0.00 C ATOM 1190 CD PRO A 77 4.896 -9.077 -10.199 1.00 0.00 C ATOM 0 HA PRO A 77 6.533 -6.271 -10.824 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.104 -6.501 -12.152 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.538 -7.368 -12.663 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.114 -8.418 -11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.258 -9.280 -12.270 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.182 -9.334 -9.417 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.468 -9.979 -10.418 1.00 0.00 H new ATOM 1198 N VAL A 78 5.230 -4.445 -9.977 1.00 0.00 N ATOM 1199 CA VAL A 78 4.547 -3.306 -9.300 1.00 0.00 C ATOM 1200 C VAL A 78 4.315 -2.190 -10.322 1.00 0.00 C ATOM 1201 O VAL A 78 5.236 -1.510 -10.727 1.00 0.00 O ATOM 1202 CB VAL A 78 5.433 -2.767 -8.163 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.566 -2.427 -6.951 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.470 -3.822 -7.761 1.00 0.00 C ATOM 0 H VAL A 78 6.044 -4.185 -10.535 1.00 0.00 H new ATOM 0 HA VAL A 78 3.597 -3.645 -8.888 1.00 0.00 H new ATOM 0 HB VAL A 78 5.946 -1.870 -8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.197 -2.046 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.834 -1.669 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.048 -3.324 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.093 -3.432 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.959 -4.723 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.096 -4.062 -8.620 1.00 0.00 H new ATOM 1214 N ILE A 79 3.097 -1.996 -10.748 1.00 0.00 N ATOM 1215 CA ILE A 79 2.826 -0.921 -11.747 1.00 0.00 C ATOM 1216 C ILE A 79 2.468 0.376 -11.018 1.00 0.00 C ATOM 1217 O ILE A 79 1.843 0.363 -9.977 1.00 0.00 O ATOM 1218 CB ILE A 79 1.667 -1.342 -12.653 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.879 -2.786 -13.115 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.611 -0.424 -13.875 1.00 0.00 C ATOM 1221 CD1 ILE A 79 3.107 -2.855 -14.025 1.00 0.00 C ATOM 0 H ILE A 79 2.281 -2.531 -10.450 1.00 0.00 H new ATOM 0 HA ILE A 79 3.716 -0.758 -12.355 1.00 0.00 H new ATOM 0 HB ILE A 79 0.731 -1.268 -12.099 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.015 -3.439 -12.253 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.997 -3.142 -13.648 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.785 -0.726 -14.519 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.461 0.606 -13.550 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.547 -0.497 -14.428 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.259 -3.883 -14.354 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.953 -2.215 -14.894 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.986 -2.517 -13.476 1.00 0.00 H new ATOM 1233 N ILE A 80 2.864 1.498 -11.551 1.00 0.00 N ATOM 1234 CA ILE A 80 2.547 2.789 -10.878 1.00 0.00 C ATOM 1235 C ILE A 80 2.415 3.896 -11.927 1.00 0.00 C ATOM 1236 O ILE A 80 3.101 3.901 -12.931 1.00 0.00 O ATOM 1237 CB ILE A 80 3.672 3.143 -9.902 1.00 0.00 C ATOM 1238 CG1 ILE A 80 3.728 2.092 -8.791 1.00 0.00 C ATOM 1239 CG2 ILE A 80 3.404 4.519 -9.288 1.00 0.00 C ATOM 1240 CD1 ILE A 80 4.812 2.471 -7.780 1.00 0.00 C ATOM 0 H ILE A 80 3.392 1.577 -12.420 1.00 0.00 H new ATOM 0 HA ILE A 80 1.608 2.693 -10.333 1.00 0.00 H new ATOM 0 HB ILE A 80 4.623 3.164 -10.435 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.761 2.022 -8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.939 1.111 -9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.206 4.770 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.361 5.268 -10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.454 4.500 -8.754 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.850 1.721 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.778 2.518 -8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.581 3.444 -7.346 1.00 0.00 H new ATOM 1252 N MET A 81 1.538 4.834 -11.702 1.00 0.00 N ATOM 1253 CA MET A 81 1.361 5.940 -12.682 1.00 0.00 C ATOM 1254 C MET A 81 2.484 6.962 -12.501 1.00 0.00 C ATOM 1255 O MET A 81 2.837 7.313 -11.396 1.00 0.00 O ATOM 1256 CB MET A 81 0.013 6.622 -12.442 1.00 0.00 C ATOM 1257 CG MET A 81 -0.958 6.246 -13.564 1.00 0.00 C ATOM 1258 SD MET A 81 -1.783 4.689 -13.151 1.00 0.00 S ATOM 1259 CE MET A 81 -2.852 5.338 -11.843 1.00 0.00 C ATOM 0 H MET A 81 0.936 4.882 -10.880 1.00 0.00 H new ATOM 0 HA MET A 81 1.391 5.538 -13.695 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.394 6.317 -11.478 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.142 7.704 -12.406 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.696 7.036 -13.700 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.420 6.146 -14.507 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.827 4.854 -11.896 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.400 5.138 -10.871 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.974 6.413 -11.973 1.00 0.00 H new ATOM 1269 N THR A 82 3.044 7.439 -13.582 1.00 0.00 N ATOM 1270 CA THR A 82 4.148 8.443 -13.489 1.00 0.00 C ATOM 1271 C THR A 82 5.393 7.798 -12.871 1.00 0.00 C ATOM 1272 O THR A 82 6.293 7.381 -13.573 1.00 0.00 O ATOM 1273 CB THR A 82 3.707 9.629 -12.629 1.00 0.00 C ATOM 1274 OG1 THR A 82 2.597 10.269 -13.243 1.00 0.00 O ATOM 1275 CG2 THR A 82 4.864 10.623 -12.505 1.00 0.00 C ATOM 0 H THR A 82 2.783 7.175 -14.532 1.00 0.00 H new ATOM 0 HA THR A 82 4.386 8.795 -14.493 1.00 0.00 H new ATOM 0 HB THR A 82 3.422 9.277 -11.638 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.763 11.233 -13.296 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.553 11.469 -11.893 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.717 10.132 -12.038 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.147 10.977 -13.496 1.00 0.00 H new ATOM 1283 N ALA A 83 5.453 7.727 -11.563 1.00 0.00 N ATOM 1284 CA ALA A 83 6.639 7.121 -10.884 1.00 0.00 C ATOM 1285 C ALA A 83 7.737 8.179 -10.751 1.00 0.00 C ATOM 1286 O ALA A 83 8.505 8.412 -11.663 1.00 0.00 O ATOM 1287 CB ALA A 83 7.161 5.932 -11.696 1.00 0.00 C ATOM 0 H ALA A 83 4.725 8.066 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 83 6.347 6.768 -9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.025 5.498 -11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.377 5.180 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.453 6.270 -12.690 1.00 0.00 H new ATOM 1293 N HIS A 84 7.808 8.830 -9.621 1.00 0.00 N ATOM 1294 CA HIS A 84 8.847 9.882 -9.429 1.00 0.00 C ATOM 1295 C HIS A 84 9.490 9.738 -8.050 1.00 0.00 C ATOM 1296 O HIS A 84 10.514 9.097 -7.918 1.00 0.00 O ATOM 1297 CB HIS A 84 8.198 11.261 -9.555 1.00 0.00 C ATOM 1298 CG HIS A 84 9.215 12.324 -9.257 1.00 0.00 C ATOM 1299 ND1 HIS A 84 9.170 13.440 -8.456 1.00 0.00 N flip ATOM 1300 CD2 HIS A 84 10.482 12.312 -9.817 1.00 0.00 C flip ATOM 1301 CE1 HIS A 84 10.387 14.110 -8.517 1.00 0.00 C flip ATOM 1302 NE2 HIS A 84 11.142 13.389 -9.352 1.00 0.00 N flip ATOM 0 H HIS A 84 7.191 8.679 -8.823 1.00 0.00 H new ATOM 0 HA HIS A 84 9.619 9.770 -10.190 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.799 11.396 -10.560 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.358 11.343 -8.865 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.870 11.573 -10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.663 15.018 -8.001 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.101 13.626 -9.606 1.00 0.00 H new ATOM 1310 N SER A 85 8.933 10.344 -7.018 1.00 0.00 N ATOM 1311 CA SER A 85 9.588 10.236 -5.677 1.00 0.00 C ATOM 1312 C SER A 85 11.051 10.512 -5.906 1.00 0.00 C ATOM 1313 O SER A 85 11.927 9.885 -5.343 1.00 0.00 O ATOM 1314 CB SER A 85 9.399 8.829 -5.113 1.00 0.00 C ATOM 1315 OG SER A 85 8.150 8.311 -5.550 1.00 0.00 O ATOM 0 H SER A 85 8.075 10.894 -7.049 1.00 0.00 H new ATOM 0 HA SER A 85 9.157 10.937 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.210 8.180 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.434 8.854 -4.024 1.00 0.00 H new ATOM 0 HG SER A 85 7.953 7.481 -5.068 1.00 0.00 H new ATOM 1321 N ASP A 86 11.307 11.418 -6.801 1.00 0.00 N ATOM 1322 CA ASP A 86 12.696 11.709 -7.161 1.00 0.00 C ATOM 1323 C ASP A 86 13.212 10.449 -7.832 1.00 0.00 C ATOM 1324 O ASP A 86 13.046 9.355 -7.305 1.00 0.00 O ATOM 1325 CB ASP A 86 13.516 12.013 -5.906 1.00 0.00 C ATOM 1326 CG ASP A 86 14.692 12.921 -6.273 1.00 0.00 C ATOM 1327 OD1 ASP A 86 14.920 13.112 -7.456 1.00 0.00 O ATOM 1328 OD2 ASP A 86 15.344 13.410 -5.365 1.00 0.00 O ATOM 0 H ASP A 86 10.603 11.967 -7.295 1.00 0.00 H new ATOM 0 HA ASP A 86 12.772 12.578 -7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.889 12.497 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.882 11.086 -5.464 1.00 0.00 H new ATOM 1333 N LEU A 87 13.790 10.564 -9.001 1.00 0.00 N ATOM 1334 CA LEU A 87 14.287 9.346 -9.699 1.00 0.00 C ATOM 1335 C LEU A 87 14.842 8.383 -8.644 1.00 0.00 C ATOM 1336 O LEU A 87 14.745 7.185 -8.755 1.00 0.00 O ATOM 1337 CB LEU A 87 15.377 9.756 -10.680 1.00 0.00 C ATOM 1338 CG LEU A 87 15.152 9.059 -12.026 1.00 0.00 C ATOM 1339 CD1 LEU A 87 15.364 7.556 -11.863 1.00 0.00 C ATOM 1340 CD2 LEU A 87 13.724 9.321 -12.510 1.00 0.00 C ATOM 0 H LEU A 87 13.937 11.443 -9.497 1.00 0.00 H new ATOM 0 HA LEU A 87 13.487 8.853 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 87 15.370 10.838 -10.814 1.00 0.00 H new ATOM 0 HB3 LEU A 87 16.356 9.491 -10.282 1.00 0.00 H new ATOM 0 HG LEU A 87 15.859 9.451 -12.757 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.204 7.060 -12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.382 7.367 -11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.658 7.166 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.567 8.824 -13.467 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.015 8.932 -11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.571 10.394 -12.629 1.00 0.00 H new ATOM 1352 N ASP A 88 15.368 8.936 -7.582 1.00 0.00 N ATOM 1353 CA ASP A 88 15.879 8.114 -6.452 1.00 0.00 C ATOM 1354 C ASP A 88 14.977 6.899 -6.250 1.00 0.00 C ATOM 1355 O ASP A 88 15.282 5.803 -6.678 1.00 0.00 O ATOM 1356 CB ASP A 88 15.826 8.975 -5.185 1.00 0.00 C ATOM 1357 CG ASP A 88 17.240 9.176 -4.636 1.00 0.00 C ATOM 1358 OD1 ASP A 88 18.072 8.316 -4.872 1.00 0.00 O ATOM 1359 OD2 ASP A 88 17.466 10.186 -3.989 1.00 0.00 O ATOM 0 H ASP A 88 15.465 9.943 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 88 16.895 7.780 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 88 15.372 9.940 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 88 15.199 8.495 -4.434 1.00 0.00 H new ATOM 1364 N ALA A 89 13.862 7.090 -5.599 1.00 0.00 N ATOM 1365 CA ALA A 89 12.933 5.956 -5.365 1.00 0.00 C ATOM 1366 C ALA A 89 12.649 5.258 -6.694 1.00 0.00 C ATOM 1367 O ALA A 89 12.476 4.057 -6.746 1.00 0.00 O ATOM 1368 CB ALA A 89 11.625 6.483 -4.775 1.00 0.00 C ATOM 0 H ALA A 89 13.557 7.986 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 89 13.384 5.249 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.942 5.651 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.829 6.987 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.170 7.188 -5.471 1.00 0.00 H new ATOM 1374 N ALA A 90 12.597 5.995 -7.774 1.00 0.00 N ATOM 1375 CA ALA A 90 12.320 5.343 -9.091 1.00 0.00 C ATOM 1376 C ALA A 90 13.397 4.290 -9.381 1.00 0.00 C ATOM 1377 O ALA A 90 13.178 3.114 -9.189 1.00 0.00 O ATOM 1378 CB ALA A 90 12.326 6.392 -10.202 1.00 0.00 C ATOM 0 H ALA A 90 12.732 7.006 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 90 11.342 4.864 -9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.124 5.910 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.557 7.138 -10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.301 6.877 -10.239 1.00 0.00 H new ATOM 1384 N VAL A 91 14.545 4.729 -9.849 1.00 0.00 N ATOM 1385 CA VAL A 91 15.689 3.816 -10.182 1.00 0.00 C ATOM 1386 C VAL A 91 15.493 2.413 -9.596 1.00 0.00 C ATOM 1387 O VAL A 91 15.542 1.428 -10.304 1.00 0.00 O ATOM 1388 CB VAL A 91 16.982 4.432 -9.630 1.00 0.00 C ATOM 1389 CG1 VAL A 91 18.099 3.383 -9.617 1.00 0.00 C ATOM 1390 CG2 VAL A 91 17.400 5.597 -10.525 1.00 0.00 C ATOM 0 H VAL A 91 14.741 5.715 -10.019 1.00 0.00 H new ATOM 0 HA VAL A 91 15.743 3.710 -11.266 1.00 0.00 H new ATOM 0 HB VAL A 91 16.808 4.783 -8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 91 19.013 3.829 -9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.804 2.545 -8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 91 18.276 3.028 -10.632 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.318 6.041 -10.140 1.00 0.00 H new ATOM 0 HG22 VAL A 91 17.570 5.234 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.611 6.349 -10.536 1.00 0.00 H new ATOM 1400 N SER A 92 15.279 2.307 -8.315 1.00 0.00 N ATOM 1401 CA SER A 92 15.089 0.959 -7.711 1.00 0.00 C ATOM 1402 C SER A 92 13.657 0.476 -7.962 1.00 0.00 C ATOM 1403 O SER A 92 13.041 0.815 -8.953 1.00 0.00 O ATOM 1404 CB SER A 92 15.346 1.036 -6.206 1.00 0.00 C ATOM 1405 OG SER A 92 15.644 -0.263 -5.715 1.00 0.00 O ATOM 0 H SER A 92 15.228 3.090 -7.663 1.00 0.00 H new ATOM 0 HA SER A 92 15.789 0.258 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.174 1.714 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.471 1.439 -5.696 1.00 0.00 H new ATOM 0 HG SER A 92 15.811 -0.218 -4.750 1.00 0.00 H new ATOM 1411 N ALA A 93 13.124 -0.314 -7.072 1.00 0.00 N ATOM 1412 CA ALA A 93 11.732 -0.817 -7.255 1.00 0.00 C ATOM 1413 C ALA A 93 11.701 -1.874 -8.363 1.00 0.00 C ATOM 1414 O ALA A 93 10.754 -1.963 -9.119 1.00 0.00 O ATOM 1415 CB ALA A 93 10.818 0.347 -7.640 1.00 0.00 C ATOM 0 H ALA A 93 13.592 -0.634 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 93 11.387 -1.264 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.800 -0.019 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.833 1.098 -6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.169 0.793 -8.571 1.00 0.00 H new ATOM 1421 N TYR A 94 12.723 -2.678 -8.466 1.00 0.00 N ATOM 1422 CA TYR A 94 12.738 -3.726 -9.527 1.00 0.00 C ATOM 1423 C TYR A 94 12.690 -3.061 -10.903 1.00 0.00 C ATOM 1424 O TYR A 94 11.809 -3.323 -11.698 1.00 0.00 O ATOM 1425 CB TYR A 94 11.518 -4.635 -9.363 1.00 0.00 C ATOM 1426 CG TYR A 94 11.933 -5.926 -8.698 1.00 0.00 C ATOM 1427 CD1 TYR A 94 11.943 -6.021 -7.302 1.00 0.00 C ATOM 1428 CD2 TYR A 94 12.305 -7.027 -9.478 1.00 0.00 C ATOM 1429 CE1 TYR A 94 12.325 -7.217 -6.686 1.00 0.00 C ATOM 1430 CE2 TYR A 94 12.688 -8.224 -8.861 1.00 0.00 C ATOM 1431 CZ TYR A 94 12.698 -8.319 -7.464 1.00 0.00 C ATOM 1432 OH TYR A 94 13.075 -9.499 -6.857 1.00 0.00 O ATOM 0 H TYR A 94 13.546 -2.656 -7.864 1.00 0.00 H new ATOM 0 HA TYR A 94 13.650 -4.317 -9.439 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.757 -4.134 -8.765 1.00 0.00 H new ATOM 0 HB3 TYR A 94 11.073 -4.842 -10.336 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.656 -5.171 -6.701 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.297 -6.953 -10.555 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.332 -7.290 -5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.976 -9.074 -9.462 1.00 0.00 H new ATOM 0 HH TYR A 94 13.301 -10.162 -7.543 1.00 0.00 H new ATOM 1442 N GLN A 95 13.628 -2.202 -11.194 1.00 0.00 N ATOM 1443 CA GLN A 95 13.629 -1.525 -12.521 1.00 0.00 C ATOM 1444 C GLN A 95 14.113 -2.508 -13.590 1.00 0.00 C ATOM 1445 O GLN A 95 14.882 -3.408 -13.316 1.00 0.00 O ATOM 1446 CB GLN A 95 14.559 -0.311 -12.471 1.00 0.00 C ATOM 1447 CG GLN A 95 16.015 -0.777 -12.480 1.00 0.00 C ATOM 1448 CD GLN A 95 16.666 -0.381 -13.806 1.00 0.00 C ATOM 1449 OE1 GLN A 95 17.340 -1.273 -14.480 1.00 0.00 O flip ATOM 1450 NE2 GLN A 95 16.559 0.750 -14.235 1.00 0.00 N flip ATOM 0 H GLN A 95 14.392 -1.940 -10.571 1.00 0.00 H new ATOM 0 HA GLN A 95 12.620 -1.194 -12.767 1.00 0.00 H new ATOM 0 HB2 GLN A 95 14.370 0.340 -13.325 1.00 0.00 H new ATOM 0 HB3 GLN A 95 14.360 0.275 -11.574 1.00 0.00 H new ATOM 0 HG2 GLN A 95 16.557 -0.328 -11.648 1.00 0.00 H new ATOM 0 HG3 GLN A 95 16.063 -1.858 -12.347 1.00 0.00 H new ATOM 0 HE21 GLN A 95 16.032 1.447 -13.709 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.996 1.003 -15.122 1.00 0.00 H new ATOM 1459 N GLN A 96 13.663 -2.348 -14.805 1.00 0.00 N ATOM 1460 CA GLN A 96 14.091 -3.283 -15.883 1.00 0.00 C ATOM 1461 C GLN A 96 13.751 -4.714 -15.469 1.00 0.00 C ATOM 1462 O GLN A 96 14.333 -5.666 -15.950 1.00 0.00 O ATOM 1463 CB GLN A 96 15.602 -3.161 -16.099 1.00 0.00 C ATOM 1464 CG GLN A 96 15.982 -3.821 -17.427 1.00 0.00 C ATOM 1465 CD GLN A 96 17.459 -4.216 -17.397 1.00 0.00 C ATOM 1466 OE1 GLN A 96 18.248 -3.608 -16.700 1.00 0.00 O ATOM 1467 NE2 GLN A 96 17.868 -5.215 -18.128 1.00 0.00 N ATOM 0 H GLN A 96 13.019 -1.612 -15.097 1.00 0.00 H new ATOM 0 HA GLN A 96 13.573 -3.034 -16.809 1.00 0.00 H new ATOM 0 HB2 GLN A 96 15.896 -2.111 -16.105 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.137 -3.637 -15.278 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.363 -4.702 -17.598 1.00 0.00 H new ATOM 0 HG3 GLN A 96 15.795 -3.135 -18.253 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.205 -5.724 -18.712 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.851 -5.487 -18.116 1.00 0.00 H new ATOM 1476 N GLY A 97 12.815 -4.871 -14.572 1.00 0.00 N ATOM 1477 CA GLY A 97 12.440 -6.241 -14.121 1.00 0.00 C ATOM 1478 C GLY A 97 10.916 -6.383 -14.111 1.00 0.00 C ATOM 1479 O GLY A 97 10.374 -7.357 -14.593 1.00 0.00 O ATOM 0 H GLY A 97 12.295 -4.111 -14.133 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.880 -6.986 -14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.839 -6.428 -13.124 1.00 0.00 H new ATOM 1483 N ALA A 98 10.218 -5.426 -13.561 1.00 0.00 N ATOM 1484 CA ALA A 98 8.732 -5.526 -13.523 1.00 0.00 C ATOM 1485 C ALA A 98 8.117 -4.131 -13.370 1.00 0.00 C ATOM 1486 O ALA A 98 7.332 -3.878 -12.470 1.00 0.00 O ATOM 1487 CB ALA A 98 8.318 -6.400 -12.341 1.00 0.00 C ATOM 0 H ALA A 98 10.610 -4.584 -13.139 1.00 0.00 H new ATOM 0 HA ALA A 98 8.376 -5.970 -14.453 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.231 -6.477 -12.308 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.749 -7.395 -12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.678 -5.953 -11.414 1.00 0.00 H new ATOM 1493 N PHE A 99 8.460 -3.230 -14.251 1.00 0.00 N ATOM 1494 CA PHE A 99 7.899 -1.851 -14.183 1.00 0.00 C ATOM 1495 C PHE A 99 7.668 -1.346 -15.608 1.00 0.00 C ATOM 1496 O PHE A 99 8.578 -1.304 -16.413 1.00 0.00 O ATOM 1497 CB PHE A 99 8.889 -0.928 -13.468 1.00 0.00 C ATOM 1498 CG PHE A 99 8.405 -0.655 -12.063 1.00 0.00 C ATOM 1499 CD1 PHE A 99 8.530 -1.639 -11.076 1.00 0.00 C ATOM 1500 CD2 PHE A 99 7.836 0.585 -11.747 1.00 0.00 C ATOM 1501 CE1 PHE A 99 8.085 -1.384 -9.773 1.00 0.00 C ATOM 1502 CE2 PHE A 99 7.390 0.839 -10.445 1.00 0.00 C ATOM 1503 CZ PHE A 99 7.515 -0.146 -9.458 1.00 0.00 C ATOM 0 H PHE A 99 9.110 -3.392 -15.020 1.00 0.00 H new ATOM 0 HA PHE A 99 6.958 -1.859 -13.633 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.876 -1.389 -13.440 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.990 0.008 -14.017 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.970 -2.595 -11.319 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.741 1.345 -12.508 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.182 -2.143 -9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.950 1.795 -10.202 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.171 0.050 -8.453 1.00 0.00 H new ATOM 1513 N ASP A 100 6.460 -0.975 -15.937 1.00 0.00 N ATOM 1514 CA ASP A 100 6.186 -0.492 -17.321 1.00 0.00 C ATOM 1515 C ASP A 100 5.824 0.996 -17.304 1.00 0.00 C ATOM 1516 O ASP A 100 5.446 1.555 -18.314 1.00 0.00 O ATOM 1517 CB ASP A 100 5.023 -1.290 -17.914 1.00 0.00 C ATOM 1518 CG ASP A 100 4.783 -0.846 -19.358 1.00 0.00 C ATOM 1519 OD1 ASP A 100 5.667 -1.046 -20.174 1.00 0.00 O ATOM 1520 OD2 ASP A 100 3.717 -0.315 -19.624 1.00 0.00 O ATOM 0 H ASP A 100 5.655 -0.985 -15.311 1.00 0.00 H new ATOM 0 HA ASP A 100 7.081 -0.631 -17.928 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.246 -2.356 -17.883 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.122 -1.136 -17.320 1.00 0.00 H new ATOM 1525 N TYR A 101 5.933 1.644 -16.176 1.00 0.00 N ATOM 1526 CA TYR A 101 5.587 3.094 -16.122 1.00 0.00 C ATOM 1527 C TYR A 101 4.247 3.316 -16.828 1.00 0.00 C ATOM 1528 O TYR A 101 4.194 3.480 -18.030 1.00 0.00 O ATOM 1529 CB TYR A 101 6.672 3.904 -16.836 1.00 0.00 C ATOM 1530 CG TYR A 101 7.709 4.362 -15.837 1.00 0.00 C ATOM 1531 CD1 TYR A 101 8.158 3.487 -14.842 1.00 0.00 C ATOM 1532 CD2 TYR A 101 8.224 5.662 -15.911 1.00 0.00 C ATOM 1533 CE1 TYR A 101 9.122 3.911 -13.919 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.190 6.087 -14.989 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.638 5.211 -13.994 1.00 0.00 C ATOM 1536 OH TYR A 101 10.590 5.629 -13.085 1.00 0.00 O ATOM 0 H TYR A 101 6.245 1.236 -15.295 1.00 0.00 H new ATOM 0 HA TYR A 101 5.516 3.415 -15.083 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.142 3.297 -17.610 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.227 4.766 -17.333 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.761 2.484 -14.786 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.877 6.337 -16.679 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.467 3.236 -13.150 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.588 7.089 -15.046 1.00 0.00 H new ATOM 0 HH TYR A 101 10.842 6.556 -13.278 1.00 0.00 H new ATOM 1546 N LEU A 102 3.166 3.316 -16.097 1.00 0.00 N ATOM 1547 CA LEU A 102 1.833 3.516 -16.737 1.00 0.00 C ATOM 1548 C LEU A 102 1.467 5.009 -16.735 1.00 0.00 C ATOM 1549 O LEU A 102 1.665 5.690 -15.751 1.00 0.00 O ATOM 1550 CB LEU A 102 0.776 2.735 -15.953 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.135 1.988 -16.927 1.00 0.00 C ATOM 1552 CD1 LEU A 102 0.058 0.481 -16.756 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.594 2.348 -16.637 1.00 0.00 C ATOM 0 H LEU A 102 3.147 3.186 -15.085 1.00 0.00 H new ATOM 0 HA LEU A 102 1.872 3.159 -17.766 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.258 2.030 -15.276 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.188 3.416 -15.338 1.00 0.00 H new ATOM 0 HG LEU A 102 0.117 2.273 -17.949 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.592 -0.050 -17.451 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.097 0.222 -16.960 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.193 0.196 -15.734 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.245 1.816 -17.331 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.843 2.063 -15.615 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.735 3.422 -16.758 1.00 0.00 H new ATOM 1565 N PRO A 103 0.929 5.469 -17.843 1.00 0.00 N ATOM 1566 CA PRO A 103 0.538 6.896 -17.901 1.00 0.00 C ATOM 1567 C PRO A 103 -0.921 7.023 -18.352 1.00 0.00 C ATOM 1568 O PRO A 103 -1.576 6.043 -18.646 1.00 0.00 O ATOM 1569 CB PRO A 103 1.472 7.510 -18.943 1.00 0.00 C ATOM 1570 CG PRO A 103 1.940 6.350 -19.840 1.00 0.00 C ATOM 1571 CD PRO A 103 1.688 5.054 -19.050 1.00 0.00 C ATOM 0 HA PRO A 103 0.617 7.391 -16.933 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.955 8.270 -19.529 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.321 7.999 -18.465 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.391 6.343 -20.782 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.996 6.454 -20.088 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.121 4.336 -19.643 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.626 4.571 -18.777 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.435 8.221 -18.412 1.00 0.00 N ATOM 1580 CA LYS A 104 -2.848 8.406 -18.849 1.00 0.00 C ATOM 1581 C LYS A 104 -2.880 8.671 -20.359 1.00 0.00 C ATOM 1582 O LYS A 104 -1.884 9.065 -20.932 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.463 9.596 -18.109 1.00 0.00 C ATOM 1584 CG LYS A 104 -4.255 9.095 -16.900 1.00 0.00 C ATOM 1585 CD LYS A 104 -3.288 8.737 -15.770 1.00 0.00 C ATOM 1586 CE LYS A 104 -3.976 8.951 -14.421 1.00 0.00 C ATOM 1587 NZ LYS A 104 -4.498 10.345 -14.345 1.00 0.00 N ATOM 0 H LYS A 104 -0.937 9.080 -18.177 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.420 7.506 -18.622 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.679 10.280 -17.785 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.117 10.155 -18.778 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.953 9.862 -16.566 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.848 8.223 -17.176 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.968 7.699 -15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.392 9.354 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.792 8.239 -14.300 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.272 8.770 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.415 10.694 -13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.946 10.957 -14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.497 10.358 -14.634 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.024 8.445 -20.964 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.202 7.964 -20.200 1.00 0.00 C ATOM 1603 C PRO A 105 -5.097 6.457 -19.945 1.00 0.00 C ATOM 1604 O PRO A 105 -4.221 5.788 -20.458 1.00 0.00 O ATOM 1605 CB PRO A 105 -6.391 8.272 -21.110 1.00 0.00 C ATOM 1606 CG PRO A 105 -5.829 8.371 -22.540 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.323 8.644 -22.402 1.00 0.00 C ATOM 0 HA PRO A 105 -5.289 8.438 -19.223 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.145 7.488 -21.042 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.873 9.204 -20.817 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.006 7.447 -23.091 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.319 9.172 -23.094 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.741 7.964 -23.023 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.075 9.657 -22.720 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.989 5.916 -19.160 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.945 4.454 -18.878 1.00 0.00 C ATOM 1617 C PHE A 106 -7.341 3.973 -18.472 1.00 0.00 C ATOM 1618 O PHE A 106 -8.004 4.585 -17.658 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.944 4.176 -17.746 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.594 4.422 -16.401 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.651 5.720 -15.878 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -6.140 3.353 -15.680 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -6.253 5.948 -14.635 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.742 3.581 -14.436 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.798 4.879 -13.914 1.00 0.00 C ATOM 0 H PHE A 106 -6.746 6.424 -18.702 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.626 3.919 -19.772 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.593 3.146 -17.806 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.070 4.817 -17.858 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -5.230 6.545 -16.434 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.097 2.352 -16.083 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.297 6.949 -14.232 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.163 2.756 -13.880 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.262 5.056 -12.955 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.789 2.882 -19.023 1.00 0.00 N ATOM 1636 CA ASP A 107 -9.131 2.369 -18.657 1.00 0.00 C ATOM 1637 C ASP A 107 -9.019 1.597 -17.339 1.00 0.00 C ATOM 1638 O ASP A 107 -8.058 1.740 -16.610 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.623 1.440 -19.766 1.00 0.00 C ATOM 1640 CG ASP A 107 -11.154 1.412 -19.781 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.748 2.066 -18.939 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.706 0.736 -20.633 1.00 0.00 O ATOM 0 H ASP A 107 -7.282 2.325 -19.711 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.836 3.192 -18.537 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.247 1.780 -20.731 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.234 0.434 -19.609 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.986 0.782 -17.023 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.917 0.009 -15.753 1.00 0.00 C ATOM 1649 C ILE A 108 -9.610 -1.450 -16.070 1.00 0.00 C ATOM 1650 O ILE A 108 -8.563 -1.962 -15.726 1.00 0.00 O ATOM 1651 CB ILE A 108 -11.256 0.111 -15.026 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -11.482 1.561 -14.596 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.243 -0.794 -13.792 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -10.348 1.999 -13.669 1.00 0.00 C ATOM 0 H ILE A 108 -10.819 0.618 -17.588 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.131 0.413 -15.116 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.059 -0.205 -15.692 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.522 2.209 -15.471 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.441 1.655 -14.086 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.200 -0.719 -13.276 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.077 -1.826 -14.100 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.443 -0.482 -13.121 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.508 3.033 -13.362 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.330 1.357 -12.788 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.397 1.920 -14.195 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.501 -2.122 -16.737 1.00 0.00 N ATOM 1667 CA ASP A 109 -10.238 -3.537 -17.087 1.00 0.00 C ATOM 1668 C ASP A 109 -8.952 -3.592 -17.893 1.00 0.00 C ATOM 1669 O ASP A 109 -8.036 -4.326 -17.578 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.392 -4.057 -17.933 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.194 -5.545 -18.219 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -11.010 -6.291 -17.271 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.231 -5.916 -19.381 1.00 0.00 O ATOM 0 H ASP A 109 -11.397 -1.752 -17.053 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.144 -4.147 -16.189 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.337 -3.900 -17.412 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.448 -3.502 -18.869 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.874 -2.798 -18.922 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.643 -2.769 -19.750 1.00 0.00 C ATOM 1680 C GLU A 110 -6.434 -2.770 -18.816 1.00 0.00 C ATOM 1681 O GLU A 110 -5.434 -3.410 -19.076 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.648 -1.494 -20.592 1.00 0.00 C ATOM 1683 CG GLU A 110 -6.311 -1.349 -21.321 1.00 0.00 C ATOM 1684 CD GLU A 110 -6.234 -2.365 -22.462 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -6.816 -2.103 -23.503 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -5.593 -3.386 -22.277 1.00 0.00 O ATOM 0 H GLU A 110 -9.615 -2.166 -19.225 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.599 -3.636 -20.409 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.464 -1.527 -21.314 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.821 -0.627 -19.954 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -6.208 -0.338 -21.714 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.487 -1.506 -20.625 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.530 -2.070 -17.716 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.410 -2.040 -16.752 1.00 0.00 C ATOM 1695 C ALA A 111 -5.325 -3.396 -16.051 1.00 0.00 C ATOM 1696 O ALA A 111 -4.431 -4.175 -16.307 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.690 -0.944 -15.733 1.00 0.00 C ATOM 0 H ALA A 111 -7.345 -1.517 -17.450 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.466 -1.840 -17.259 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.875 -0.903 -15.010 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.771 0.016 -16.244 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.625 -1.159 -15.215 1.00 0.00 H new ATOM 1703 N VAL A 112 -6.239 -3.673 -15.153 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.209 -4.970 -14.416 1.00 0.00 C ATOM 1705 C VAL A 112 -5.754 -6.099 -15.348 1.00 0.00 C ATOM 1706 O VAL A 112 -4.682 -6.645 -15.198 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.619 -5.279 -13.901 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.699 -6.741 -13.456 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.934 -4.375 -12.706 1.00 0.00 C ATOM 0 H VAL A 112 -7.007 -3.052 -14.899 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.510 -4.895 -13.583 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.339 -5.101 -14.700 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.703 -6.956 -13.091 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.473 -7.391 -14.301 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.977 -6.919 -12.659 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.937 -4.594 -12.339 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.209 -4.556 -11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.881 -3.331 -13.015 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.573 -6.453 -16.303 1.00 0.00 N ATOM 1720 CA ALA A 113 -6.208 -7.551 -17.247 1.00 0.00 C ATOM 1721 C ALA A 113 -4.764 -7.384 -17.729 1.00 0.00 C ATOM 1722 O ALA A 113 -3.926 -8.232 -17.490 1.00 0.00 O ATOM 1723 CB ALA A 113 -7.147 -7.514 -18.453 1.00 0.00 C ATOM 0 H ALA A 113 -7.484 -6.027 -16.471 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.301 -8.506 -16.729 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.883 -8.314 -19.144 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.175 -7.648 -18.118 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -7.053 -6.553 -18.958 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.482 -6.309 -18.423 1.00 0.00 N ATOM 1730 CA LEU A 114 -3.107 -6.074 -18.951 1.00 0.00 C ATOM 1731 C LEU A 114 -2.082 -6.606 -17.957 1.00 0.00 C ATOM 1732 O LEU A 114 -1.190 -7.356 -18.300 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.915 -4.568 -19.129 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.474 -4.254 -19.556 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.541 -4.313 -18.345 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -1.012 -5.268 -20.606 1.00 0.00 C ATOM 0 H LEU A 114 -5.156 -5.577 -18.647 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.975 -6.586 -19.904 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.612 -4.193 -19.878 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.144 -4.054 -18.195 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.444 -3.251 -19.981 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.478 -4.089 -18.660 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.861 -3.581 -17.603 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.574 -5.311 -17.908 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.011 -5.041 -20.906 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.052 -6.272 -20.184 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.666 -5.214 -21.477 1.00 0.00 H new ATOM 1748 N VAL A 115 -2.219 -6.227 -16.721 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.274 -6.708 -15.685 1.00 0.00 C ATOM 1750 C VAL A 115 -1.357 -8.237 -15.627 1.00 0.00 C ATOM 1751 O VAL A 115 -0.369 -8.922 -15.780 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.651 -6.071 -14.329 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.823 -7.134 -13.235 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.548 -5.099 -13.909 1.00 0.00 C ATOM 0 H VAL A 115 -2.950 -5.601 -16.383 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.249 -6.422 -15.922 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.600 -5.549 -14.451 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.088 -6.649 -12.295 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.614 -7.827 -13.522 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.889 -7.682 -13.110 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.808 -4.646 -12.952 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.394 -5.638 -13.811 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.443 -4.319 -14.664 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.535 -8.761 -15.390 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.712 -10.242 -15.296 1.00 0.00 C ATOM 1766 C GLU A 116 -1.758 -10.952 -16.257 1.00 0.00 C ATOM 1767 O GLU A 116 -1.188 -11.977 -15.936 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.157 -10.602 -15.655 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.317 -12.123 -15.657 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.151 -12.548 -16.867 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -6.177 -11.932 -17.101 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -4.748 -13.484 -17.539 1.00 0.00 O ATOM 0 H GLU A 116 -3.389 -8.219 -15.257 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.491 -10.563 -14.278 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.844 -10.154 -14.937 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.411 -10.197 -16.635 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.338 -12.602 -15.690 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.800 -12.449 -14.736 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.573 -10.415 -17.430 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.650 -11.061 -18.402 1.00 0.00 C ATOM 1781 C ARG A 117 0.792 -10.872 -17.930 1.00 0.00 C ATOM 1782 O ARG A 117 1.545 -11.819 -17.818 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.828 -10.422 -19.781 1.00 0.00 C ATOM 1784 CG ARG A 117 -2.321 -10.321 -20.107 1.00 0.00 C ATOM 1785 CD ARG A 117 -2.503 -9.733 -21.510 1.00 0.00 C ATOM 1786 NE ARG A 117 -2.970 -10.801 -22.439 1.00 0.00 N ATOM 1787 CZ ARG A 117 -4.119 -10.682 -23.047 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -5.179 -10.325 -22.375 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -4.209 -10.918 -24.327 1.00 0.00 N ATOM 0 H ARG A 117 -2.020 -9.558 -17.757 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.875 -12.125 -18.468 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.374 -9.431 -19.796 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.319 -11.018 -20.538 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.783 -11.307 -20.052 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.822 -9.693 -19.371 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -3.226 -8.918 -21.483 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.562 -9.313 -21.865 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.391 -11.625 -22.600 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -5.110 -10.139 -21.375 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -6.077 -10.232 -22.850 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -3.381 -11.196 -24.854 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -5.107 -10.825 -24.801 1.00 0.00 H new ATOM 1803 N ALA A 118 1.182 -9.662 -17.643 1.00 0.00 N ATOM 1804 CA ALA A 118 2.573 -9.433 -17.170 1.00 0.00 C ATOM 1805 C ALA A 118 2.877 -10.428 -16.048 1.00 0.00 C ATOM 1806 O ALA A 118 3.828 -11.180 -16.118 1.00 0.00 O ATOM 1807 CB ALA A 118 2.708 -8.002 -16.640 1.00 0.00 C ATOM 0 H ALA A 118 0.601 -8.827 -17.715 1.00 0.00 H new ATOM 0 HA ALA A 118 3.274 -9.573 -17.993 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.728 -7.837 -16.294 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.476 -7.295 -17.437 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.016 -7.854 -15.811 1.00 0.00 H new ATOM 1813 N ILE A 119 2.074 -10.422 -15.013 1.00 0.00 N ATOM 1814 CA ILE A 119 2.287 -11.347 -13.867 1.00 0.00 C ATOM 1815 C ILE A 119 2.825 -12.687 -14.376 1.00 0.00 C ATOM 1816 O ILE A 119 3.717 -13.272 -13.794 1.00 0.00 O ATOM 1817 CB ILE A 119 0.945 -11.575 -13.172 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.218 -10.240 -12.985 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.179 -12.212 -11.800 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.970 -10.433 -12.037 1.00 0.00 C ATOM 0 H ILE A 119 1.268 -9.804 -14.916 1.00 0.00 H new ATOM 0 HA ILE A 119 3.006 -10.915 -13.171 1.00 0.00 H new ATOM 0 HB ILE A 119 0.336 -12.236 -13.789 1.00 0.00 H new ATOM 0 HG12 ILE A 119 0.903 -9.495 -12.580 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.129 -9.865 -13.948 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.221 -12.374 -11.306 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.689 -13.167 -11.925 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.794 -11.549 -11.191 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.487 -9.483 -11.904 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.658 -11.165 -12.460 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.611 -10.789 -11.071 1.00 0.00 H new ATOM 1832 N SER A 120 2.288 -13.175 -15.463 1.00 0.00 N ATOM 1833 CA SER A 120 2.770 -14.472 -16.018 1.00 0.00 C ATOM 1834 C SER A 120 3.941 -14.208 -16.966 1.00 0.00 C ATOM 1835 O SER A 120 3.937 -14.626 -18.107 1.00 0.00 O ATOM 1836 CB SER A 120 1.637 -15.153 -16.787 1.00 0.00 C ATOM 1837 OG SER A 120 0.424 -15.008 -16.061 1.00 0.00 O ATOM 0 H SER A 120 1.536 -12.731 -15.990 1.00 0.00 H new ATOM 0 HA SER A 120 3.094 -15.120 -15.204 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.537 -14.710 -17.778 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.864 -16.209 -16.932 1.00 0.00 H new ATOM 0 HG SER A 120 -0.305 -15.442 -16.552 1.00 0.00 H new ATOM 1843 N HIS A 121 4.941 -13.509 -16.504 1.00 0.00 N ATOM 1844 CA HIS A 121 6.113 -13.209 -17.376 1.00 0.00 C ATOM 1845 C HIS A 121 7.208 -14.250 -17.140 1.00 0.00 C ATOM 1846 O HIS A 121 8.218 -14.266 -17.815 1.00 0.00 O ATOM 1847 CB HIS A 121 6.651 -11.817 -17.037 1.00 0.00 C ATOM 1848 CG HIS A 121 7.527 -11.328 -18.157 1.00 0.00 C ATOM 1849 ND1 HIS A 121 8.818 -10.875 -17.938 1.00 0.00 N ATOM 1850 CD2 HIS A 121 7.311 -11.211 -19.507 1.00 0.00 C ATOM 1851 CE1 HIS A 121 9.326 -10.508 -19.129 1.00 0.00 C ATOM 1852 NE2 HIS A 121 8.449 -10.692 -20.119 1.00 0.00 N ATOM 0 H HIS A 121 4.998 -13.132 -15.558 1.00 0.00 H new ATOM 0 HA HIS A 121 5.806 -13.239 -18.422 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.824 -11.125 -16.880 1.00 0.00 H new ATOM 0 HB3 HIS A 121 7.218 -11.852 -16.107 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.398 -11.480 -20.017 1.00 0.00 H new ATOM 0 HE1 HIS A 121 10.322 -10.113 -19.267 1.00 0.00 H new ATOM 0 HE2 HIS A 121 8.584 -10.495 -21.111 1.00 0.00 H new ATOM 1860 N TYR A 122 7.018 -15.120 -16.185 1.00 0.00 N ATOM 1861 CA TYR A 122 8.046 -16.156 -15.902 1.00 0.00 C ATOM 1862 C TYR A 122 7.831 -17.366 -16.819 1.00 0.00 C ATOM 1863 O TYR A 122 8.298 -18.453 -16.542 1.00 0.00 O ATOM 1864 CB TYR A 122 7.927 -16.603 -14.443 1.00 0.00 C ATOM 1865 CG TYR A 122 7.384 -15.476 -13.593 1.00 0.00 C ATOM 1866 CD1 TYR A 122 7.799 -14.159 -13.822 1.00 0.00 C ATOM 1867 CD2 TYR A 122 6.464 -15.753 -12.573 1.00 0.00 C ATOM 1868 CE1 TYR A 122 7.296 -13.118 -13.030 1.00 0.00 C ATOM 1869 CE2 TYR A 122 5.960 -14.713 -11.782 1.00 0.00 C ATOM 1870 CZ TYR A 122 6.376 -13.395 -12.010 1.00 0.00 C ATOM 1871 OH TYR A 122 5.880 -12.368 -11.231 1.00 0.00 O ATOM 0 H TYR A 122 6.192 -15.156 -15.588 1.00 0.00 H new ATOM 0 HA TYR A 122 9.036 -15.738 -16.082 1.00 0.00 H new ATOM 0 HB2 TYR A 122 7.270 -17.470 -14.373 1.00 0.00 H new ATOM 0 HB3 TYR A 122 8.903 -16.912 -14.069 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.507 -13.945 -14.609 1.00 0.00 H new ATOM 0 HD2 TYR A 122 6.143 -16.769 -12.397 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.617 -12.102 -13.206 1.00 0.00 H new ATOM 0 HE2 TYR A 122 5.251 -14.927 -10.996 1.00 0.00 H new ATOM 0 HH TYR A 122 5.253 -12.731 -10.571 1.00 0.00 H new ATOM 1881 N GLN A 123 7.128 -17.191 -17.905 1.00 0.00 N ATOM 1882 CA GLN A 123 6.888 -18.336 -18.830 1.00 0.00 C ATOM 1883 C GLN A 123 7.963 -18.349 -19.920 1.00 0.00 C ATOM 1884 O GLN A 123 8.149 -19.333 -20.608 1.00 0.00 O ATOM 1885 CB GLN A 123 5.508 -18.186 -19.474 1.00 0.00 C ATOM 1886 CG GLN A 123 4.453 -18.847 -18.587 1.00 0.00 C ATOM 1887 CD GLN A 123 3.290 -19.335 -19.453 1.00 0.00 C ATOM 1888 OE1 GLN A 123 3.048 -18.744 -20.591 1.00 0.00 O flip ATOM 1889 NE2 GLN A 123 2.595 -20.262 -19.091 1.00 0.00 N flip ATOM 0 H GLN A 123 6.710 -16.306 -18.192 1.00 0.00 H new ATOM 0 HA GLN A 123 6.930 -19.271 -18.271 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.273 -17.131 -19.611 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.505 -18.645 -20.463 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.892 -19.684 -18.044 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.093 -18.138 -17.842 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.784 -20.724 -18.202 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.822 -20.579 -19.676 1.00 0.00 H new ATOM 1898 N GLU A 124 8.671 -17.264 -20.083 1.00 0.00 N ATOM 1899 CA GLU A 124 9.732 -17.216 -21.131 1.00 0.00 C ATOM 1900 C GLU A 124 9.157 -17.699 -22.465 1.00 0.00 C ATOM 1901 O GLU A 124 7.951 -17.866 -22.542 1.00 0.00 O ATOM 1902 CB GLU A 124 10.897 -18.122 -20.721 1.00 0.00 C ATOM 1903 CG GLU A 124 11.897 -17.323 -19.884 1.00 0.00 C ATOM 1904 CD GLU A 124 11.595 -17.521 -18.397 1.00 0.00 C ATOM 1905 OE1 GLU A 124 11.923 -18.576 -17.881 1.00 0.00 O ATOM 1906 OE2 GLU A 124 11.040 -16.612 -17.800 1.00 0.00 O ATOM 1907 OXT GLU A 124 9.934 -17.894 -23.385 1.00 0.00 O ATOM 0 H GLU A 124 8.561 -16.410 -19.537 1.00 0.00 H new ATOM 0 HA GLU A 124 10.088 -16.191 -21.239 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.526 -18.972 -20.149 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.388 -18.524 -21.607 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.914 -17.648 -20.105 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.838 -16.265 -20.140 1.00 0.00 H new