USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= -0.962 K(o=-2.4,f=-7.9!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= -0.688 (180deg=-2.79!) USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= 0.0523 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0.017) USER MOD Single : A 19 TYR OH : rot 109:sc= 0.861 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.828 K(o=-0.83,f=-2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.895 K(o=-0.9,f=-2.7!) USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= -0.406 (180deg=-1.59!) USER MOD Single : A 41 SER OG : rot -96:sc= 0.761 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0149) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0705 F(o=-0.66,f=-0.07) USER MOD Single : A 51 ASN : amide:sc= -3.79! C(o=-3.8!,f=-12!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.953 F(o=-2.3!,f=-0.95) USER MOD Single : A 73 MET CE :methyl -148:sc= -0.0971 (180deg=-0.447) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.679 -5.248 -8.874 1.00 0.00 N ATOM 60 CA GLY A 7 -6.657 -4.517 -8.147 1.00 0.00 C ATOM 61 C GLY A 7 -6.280 -3.217 -8.830 1.00 0.00 C ATOM 62 O GLY A 7 -5.773 -3.221 -9.952 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.014 -4.305 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.770 -5.142 -8.046 1.00 0.00 H new ATOM 66 N ARG A 8 -6.528 -2.101 -8.152 1.00 0.00 N ATOM 67 CA ARG A 8 -6.213 -0.787 -8.701 1.00 0.00 C ATOM 68 C ARG A 8 -4.755 -0.424 -8.438 1.00 0.00 C ATOM 69 O ARG A 8 -4.054 -1.116 -7.700 1.00 0.00 O ATOM 70 CB ARG A 8 -7.132 0.276 -8.096 1.00 0.00 C ATOM 71 CG ARG A 8 -6.936 0.470 -6.601 1.00 0.00 C ATOM 72 CD ARG A 8 -7.728 1.662 -6.086 1.00 0.00 C ATOM 73 NE ARG A 8 -8.135 1.488 -4.694 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.764 2.423 -3.990 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.056 3.591 -4.546 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.101 2.190 -2.728 1.00 0.00 N ATOM 0 H ARG A 8 -6.946 -2.080 -7.222 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.372 -0.823 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.959 1.225 -8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.169 -0.002 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.247 -0.431 -6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.877 0.615 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.124 2.565 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.612 1.806 -6.707 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.925 0.600 -4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.798 3.773 -5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.539 4.307 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.877 1.293 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.584 2.908 -2.188 1.00 0.00 H new ATOM 90 N VAL A 9 -4.303 0.667 -9.049 1.00 0.00 N ATOM 91 CA VAL A 9 -2.928 1.124 -8.881 1.00 0.00 C ATOM 92 C VAL A 9 -2.872 2.411 -8.066 1.00 0.00 C ATOM 93 O VAL A 9 -3.671 3.325 -8.273 1.00 0.00 O ATOM 94 CB VAL A 9 -2.245 1.360 -10.241 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.840 1.909 -10.045 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.216 0.073 -11.053 1.00 0.00 C ATOM 0 H VAL A 9 -4.869 1.251 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.396 0.337 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.823 2.099 -10.795 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.373 2.069 -11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.891 2.855 -9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.248 1.196 -9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.730 0.258 -12.011 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.662 -0.690 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.236 -0.272 -11.224 1.00 0.00 H new ATOM 106 N VAL A 10 -1.923 2.477 -7.138 1.00 0.00 N ATOM 107 CA VAL A 10 -1.761 3.653 -6.292 1.00 0.00 C ATOM 108 C VAL A 10 -0.332 4.182 -6.355 1.00 0.00 C ATOM 109 O VAL A 10 0.619 3.416 -6.509 1.00 0.00 O ATOM 110 CB VAL A 10 -2.118 3.344 -4.827 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.205 4.628 -4.015 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.424 2.566 -4.750 1.00 0.00 C ATOM 0 H VAL A 10 -1.254 1.729 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.444 4.413 -6.672 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.327 2.726 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.458 4.389 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.244 5.142 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.975 5.274 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.661 2.356 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.226 3.157 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.321 1.628 -5.295 1.00 0.00 H new ATOM 122 N VAL A 11 -0.188 5.498 -6.233 1.00 0.00 N ATOM 123 CA VAL A 11 1.124 6.131 -6.274 1.00 0.00 C ATOM 124 C VAL A 11 1.287 7.134 -5.137 1.00 0.00 C ATOM 125 O VAL A 11 0.486 8.058 -4.993 1.00 0.00 O ATOM 126 CB VAL A 11 1.360 6.849 -7.615 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.712 7.545 -7.619 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.254 5.866 -8.772 1.00 0.00 C ATOM 0 H VAL A 11 -0.965 6.146 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 11 1.861 5.336 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 11 0.588 7.608 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.860 8.047 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.745 8.280 -6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.501 6.808 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.424 6.391 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.003 5.083 -8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.260 5.419 -8.780 1.00 0.00 H new ATOM 138 N ILE A 12 2.328 6.945 -4.333 1.00 0.00 N ATOM 139 CA ILE A 12 2.596 7.835 -3.210 1.00 0.00 C ATOM 140 C ILE A 12 4.072 8.211 -3.147 1.00 0.00 C ATOM 141 O ILE A 12 4.944 7.408 -3.483 1.00 0.00 O ATOM 142 CB ILE A 12 2.183 7.193 -1.872 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.783 6.586 -1.983 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.233 8.222 -0.753 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.486 5.554 -0.918 1.00 0.00 C ATOM 0 H ILE A 12 2.999 6.184 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 12 2.001 8.734 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 12 2.887 6.395 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.044 7.384 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.672 6.126 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.939 7.753 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.247 8.611 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.549 9.040 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.523 5.166 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.203 4.736 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.564 6.015 0.067 1.00 0.00 H new ATOM 157 N LYS A 13 4.347 9.436 -2.712 1.00 0.00 N ATOM 158 CA LYS A 13 5.718 9.919 -2.601 1.00 0.00 C ATOM 159 C LYS A 13 5.999 10.440 -1.195 1.00 0.00 C ATOM 160 O LYS A 13 5.373 11.397 -0.739 1.00 0.00 O ATOM 161 CB LYS A 13 5.976 11.025 -3.627 1.00 0.00 C ATOM 162 CG LYS A 13 5.175 10.865 -4.908 1.00 0.00 C ATOM 163 CD LYS A 13 5.218 12.127 -5.753 1.00 0.00 C ATOM 164 CE LYS A 13 6.566 12.293 -6.440 1.00 0.00 C ATOM 165 NZ LYS A 13 7.599 12.829 -5.511 1.00 0.00 N ATOM 0 H LYS A 13 3.638 10.113 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 13 6.388 9.083 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.738 11.989 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.038 11.041 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.570 10.027 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.140 10.625 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.428 12.091 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.020 12.995 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.895 11.331 -6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.459 12.965 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.102 13.616 -5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.141 13.170 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.276 12.076 -5.273 1.00 0.00 H new ATOM 179 N LYS A 14 6.945 9.804 -0.512 1.00 0.00 N ATOM 180 CA LYS A 14 7.312 10.204 0.841 1.00 0.00 C ATOM 181 C LYS A 14 7.533 11.711 0.922 1.00 0.00 C ATOM 182 O LYS A 14 8.244 12.289 0.100 1.00 0.00 O ATOM 183 CB LYS A 14 8.577 9.468 1.288 1.00 0.00 C ATOM 184 CG LYS A 14 8.856 9.586 2.776 1.00 0.00 C ATOM 185 CD LYS A 14 10.254 9.101 3.122 1.00 0.00 C ATOM 186 CE LYS A 14 10.371 7.591 2.984 1.00 0.00 C ATOM 187 NZ LYS A 14 9.857 6.883 4.189 1.00 0.00 N ATOM 0 H LYS A 14 7.472 9.009 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 14 6.490 9.938 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.485 8.414 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.430 9.861 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.743 10.625 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.120 9.005 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.980 9.584 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.500 9.394 4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.816 7.262 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.414 7.321 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.488 6.089 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.823 7.544 4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.901 6.521 3.998 1.00 0.00 H new ATOM 201 N GLY A 15 6.921 12.343 1.920 1.00 0.00 N ATOM 202 CA GLY A 15 7.065 13.777 2.090 1.00 0.00 C ATOM 203 C GLY A 15 7.974 14.135 3.249 1.00 0.00 C ATOM 204 O GLY A 15 9.189 13.955 3.173 1.00 0.00 O ATOM 0 H GLY A 15 6.328 11.887 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.463 14.210 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.083 14.221 2.252 1.00 0.00 H new ATOM 208 N SER A 16 7.383 14.644 4.326 1.00 0.00 N ATOM 209 CA SER A 16 8.148 15.034 5.504 1.00 0.00 C ATOM 210 C SER A 16 7.865 14.093 6.671 1.00 0.00 C ATOM 211 O SER A 16 8.759 13.767 7.452 1.00 0.00 O ATOM 212 CB SER A 16 7.815 16.473 5.902 1.00 0.00 C ATOM 213 OG SER A 16 8.779 16.989 6.804 1.00 0.00 O ATOM 0 H SER A 16 6.378 14.796 4.407 1.00 0.00 H new ATOM 0 HA SER A 16 9.208 14.970 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.774 17.100 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.827 16.507 6.362 1.00 0.00 H new ATOM 0 HG SER A 16 8.544 17.910 7.042 1.00 0.00 H new ATOM 219 N ASN A 17 6.613 13.659 6.783 1.00 0.00 N ATOM 220 CA ASN A 17 6.210 12.756 7.855 1.00 0.00 C ATOM 221 C ASN A 17 6.056 11.330 7.335 1.00 0.00 C ATOM 222 O ASN A 17 5.511 10.464 8.019 1.00 0.00 O ATOM 223 CB ASN A 17 4.896 13.228 8.481 1.00 0.00 C ATOM 224 CG ASN A 17 4.779 12.839 9.942 1.00 0.00 C ATOM 225 OD1 ASN A 17 4.339 11.737 10.269 1.00 0.00 O ATOM 226 ND2 ASN A 17 5.174 13.746 10.829 1.00 0.00 N ATOM 0 H ASN A 17 5.861 13.918 6.145 1.00 0.00 H new ATOM 0 HA ASN A 17 6.990 12.764 8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.822 14.312 8.389 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.059 12.803 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.119 13.541 11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.532 14.647 10.512 1.00 0.00 H new ATOM 233 N GLY A 18 6.539 11.093 6.119 1.00 0.00 N ATOM 234 CA GLY A 18 6.446 9.771 5.528 1.00 0.00 C ATOM 235 C GLY A 18 5.451 9.716 4.386 1.00 0.00 C ATOM 236 O GLY A 18 5.234 10.710 3.693 1.00 0.00 O ATOM 0 H GLY A 18 6.993 11.793 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.428 9.469 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.155 9.053 6.295 1.00 0.00 H new ATOM 240 N TYR A 19 4.844 8.551 4.188 1.00 0.00 N ATOM 241 CA TYR A 19 3.870 8.368 3.119 1.00 0.00 C ATOM 242 C TYR A 19 2.476 8.792 3.574 1.00 0.00 C ATOM 243 O TYR A 19 1.784 9.536 2.881 1.00 0.00 O ATOM 244 CB TYR A 19 3.848 6.908 2.664 1.00 0.00 C ATOM 245 CG TYR A 19 5.115 6.472 1.965 1.00 0.00 C ATOM 246 CD1 TYR A 19 6.218 6.037 2.691 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.212 6.497 0.579 1.00 0.00 C ATOM 248 CE1 TYR A 19 7.378 5.639 2.056 1.00 0.00 C ATOM 249 CE2 TYR A 19 6.368 6.099 -0.063 1.00 0.00 C ATOM 250 CZ TYR A 19 7.449 5.671 0.679 1.00 0.00 C ATOM 251 OH TYR A 19 8.603 5.275 0.043 1.00 0.00 O ATOM 0 H TYR A 19 5.010 7.719 4.754 1.00 0.00 H new ATOM 0 HA TYR A 19 4.166 8.998 2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.683 6.269 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.003 6.758 1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.167 6.010 3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.369 6.833 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.226 5.304 2.635 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.425 6.123 -1.141 1.00 0.00 H new ATOM 0 HH TYR A 19 8.449 4.422 -0.414 1.00 0.00 H new ATOM 261 N GLY A 20 2.072 8.312 4.747 1.00 0.00 N ATOM 262 CA GLY A 20 0.764 8.651 5.276 1.00 0.00 C ATOM 263 C GLY A 20 -0.086 7.427 5.548 1.00 0.00 C ATOM 264 O GLY A 20 -1.016 7.474 6.355 1.00 0.00 O ATOM 0 H GLY A 20 2.627 7.695 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.885 9.218 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.246 9.299 4.569 1.00 0.00 H new ATOM 268 N PHE A 21 0.230 6.326 4.874 1.00 0.00 N ATOM 269 CA PHE A 21 -0.514 5.084 5.045 1.00 0.00 C ATOM 270 C PHE A 21 0.303 4.065 5.834 1.00 0.00 C ATOM 271 O PHE A 21 1.534 4.116 5.847 1.00 0.00 O ATOM 272 CB PHE A 21 -0.897 4.502 3.683 1.00 0.00 C ATOM 273 CG PHE A 21 0.261 3.899 2.941 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.150 4.704 2.246 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.461 2.528 2.938 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.217 4.152 1.563 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.526 1.971 2.257 1.00 0.00 C ATOM 278 CZ PHE A 21 2.405 2.784 1.567 1.00 0.00 C ATOM 0 H PHE A 21 0.997 6.269 4.204 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.422 5.308 5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.663 3.740 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.339 5.289 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.007 5.774 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.224 1.887 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.903 4.790 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.672 0.901 2.264 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.237 2.350 1.032 1.00 0.00 H new ATOM 288 N TYR A 22 -0.389 3.142 6.491 1.00 0.00 N ATOM 289 CA TYR A 22 0.271 2.112 7.286 1.00 0.00 C ATOM 290 C TYR A 22 -0.066 0.720 6.761 1.00 0.00 C ATOM 291 O TYR A 22 -0.884 0.566 5.853 1.00 0.00 O ATOM 292 CB TYR A 22 -0.140 2.230 8.754 1.00 0.00 C ATOM 293 CG TYR A 22 0.305 3.519 9.407 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.431 4.687 9.256 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.463 3.568 10.173 1.00 0.00 C ATOM 296 CE1 TYR A 22 -0.027 5.868 9.849 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.874 4.744 10.772 1.00 0.00 C ATOM 298 CZ TYR A 22 1.125 5.891 10.607 1.00 0.00 C ATOM 299 OH TYR A 22 1.532 7.064 11.200 1.00 0.00 O ATOM 0 H TYR A 22 -1.407 3.085 6.489 1.00 0.00 H new ATOM 0 HA TYR A 22 1.348 2.260 7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.225 2.152 8.826 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.277 1.389 9.308 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.335 4.672 8.665 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.052 2.672 10.303 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.610 6.768 9.720 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.776 4.765 11.366 1.00 0.00 H new ATOM 0 HH TYR A 22 2.361 6.908 11.699 1.00 0.00 H new ATOM 309 N LEU A 23 0.570 -0.293 7.340 1.00 0.00 N ATOM 310 CA LEU A 23 0.338 -1.675 6.932 1.00 0.00 C ATOM 311 C LEU A 23 0.260 -2.594 8.147 1.00 0.00 C ATOM 312 O LEU A 23 0.981 -2.406 9.127 1.00 0.00 O ATOM 313 CB LEU A 23 1.451 -2.144 5.994 1.00 0.00 C ATOM 314 CG LEU A 23 1.515 -1.454 4.631 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.799 -1.824 3.905 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.300 -1.820 3.791 1.00 0.00 C ATOM 0 H LEU A 23 1.250 -0.184 8.093 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.615 -1.718 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.407 -2.000 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.334 -3.215 5.831 1.00 0.00 H new ATOM 0 HG LEU A 23 1.510 -0.376 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.827 -1.324 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.657 -1.511 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.835 -2.903 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.362 -1.320 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.274 -2.899 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.607 -1.503 4.306 1.00 0.00 H new ATOM 328 N ARG A 24 -0.617 -3.590 8.073 1.00 0.00 N ATOM 329 CA ARG A 24 -0.788 -4.539 9.166 1.00 0.00 C ATOM 330 C ARG A 24 -1.088 -5.936 8.631 1.00 0.00 C ATOM 331 O ARG A 24 -1.665 -6.089 7.554 1.00 0.00 O ATOM 332 CB ARG A 24 -1.917 -4.084 10.093 1.00 0.00 C ATOM 333 CG ARG A 24 -3.304 -4.272 9.502 1.00 0.00 C ATOM 334 CD ARG A 24 -4.354 -4.450 10.588 1.00 0.00 C ATOM 335 NE ARG A 24 -5.672 -4.745 10.032 1.00 0.00 N ATOM 336 CZ ARG A 24 -6.628 -5.376 10.705 1.00 0.00 C ATOM 337 NH1 ARG A 24 -6.415 -5.774 11.951 1.00 0.00 N ATOM 338 NH2 ARG A 24 -7.802 -5.608 10.131 1.00 0.00 N ATOM 0 H ARG A 24 -1.220 -3.760 7.268 1.00 0.00 H new ATOM 0 HA ARG A 24 0.144 -4.576 9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.852 -4.638 11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.774 -3.031 10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.558 -3.409 8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.306 -5.143 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.053 -5.258 11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.409 -3.543 11.191 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.869 -4.451 9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.515 -5.596 12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.151 -6.258 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.971 -5.302 9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.536 -6.093 10.648 1.00 0.00 H new ATOM 352 N ALA A 25 -0.691 -6.953 9.389 1.00 0.00 N ATOM 353 CA ALA A 25 -0.918 -8.337 8.992 1.00 0.00 C ATOM 354 C ALA A 25 -2.393 -8.706 9.106 1.00 0.00 C ATOM 355 O ALA A 25 -2.910 -8.903 10.205 1.00 0.00 O ATOM 356 CB ALA A 25 -0.070 -9.275 9.838 1.00 0.00 C ATOM 0 H ALA A 25 -0.210 -6.844 10.282 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.624 -8.442 7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.250 -10.305 9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.984 -9.035 9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.336 -9.158 10.889 1.00 0.00 H new ATOM 362 N GLY A 26 -3.066 -8.797 7.963 1.00 0.00 N ATOM 363 CA GLY A 26 -4.476 -9.141 7.958 1.00 0.00 C ATOM 364 C GLY A 26 -4.712 -10.621 8.188 1.00 0.00 C ATOM 365 O GLY A 26 -3.812 -11.360 8.586 1.00 0.00 O ATOM 0 H GLY A 26 -2.660 -8.639 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.989 -8.570 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.915 -8.850 7.003 1.00 0.00 H new ATOM 369 N PRO A 27 -5.950 -11.073 7.936 1.00 0.00 N ATOM 370 CA PRO A 27 -6.331 -12.477 8.112 1.00 0.00 C ATOM 371 C PRO A 27 -5.681 -13.388 7.076 1.00 0.00 C ATOM 372 O PRO A 27 -4.798 -12.965 6.331 1.00 0.00 O ATOM 373 CB PRO A 27 -7.851 -12.458 7.929 1.00 0.00 C ATOM 374 CG PRO A 27 -8.115 -11.262 7.080 1.00 0.00 C ATOM 375 CD PRO A 27 -7.072 -10.247 7.458 1.00 0.00 C ATOM 0 HA PRO A 27 -6.009 -12.869 9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.203 -13.371 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.364 -12.384 8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.050 -11.513 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.118 -10.874 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.783 -9.631 6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.432 -9.570 8.233 1.00 0.00 H new ATOM 383 N GLU A 28 -6.125 -14.641 7.035 1.00 0.00 N ATOM 384 CA GLU A 28 -5.586 -15.611 6.090 1.00 0.00 C ATOM 385 C GLU A 28 -5.212 -14.938 4.773 1.00 0.00 C ATOM 386 O GLU A 28 -4.174 -15.239 4.183 1.00 0.00 O ATOM 387 CB GLU A 28 -6.601 -16.727 5.835 1.00 0.00 C ATOM 388 CG GLU A 28 -7.894 -16.241 5.202 1.00 0.00 C ATOM 389 CD GLU A 28 -9.057 -17.180 5.456 1.00 0.00 C ATOM 390 OE1 GLU A 28 -8.917 -18.388 5.175 1.00 0.00 O ATOM 391 OE2 GLU A 28 -10.108 -16.705 5.936 1.00 0.00 O ATOM 0 H GLU A 28 -6.856 -15.007 7.645 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.685 -16.042 6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.148 -17.477 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.832 -17.220 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.137 -15.253 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.749 -16.131 4.127 1.00 0.00 H new ATOM 398 N GLN A 29 -6.065 -14.026 4.318 1.00 0.00 N ATOM 399 CA GLN A 29 -5.826 -13.311 3.070 1.00 0.00 C ATOM 400 C GLN A 29 -4.356 -12.926 2.937 1.00 0.00 C ATOM 401 O GLN A 29 -3.691 -12.619 3.927 1.00 0.00 O ATOM 402 CB GLN A 29 -6.701 -12.059 2.999 1.00 0.00 C ATOM 403 CG GLN A 29 -8.084 -12.316 2.422 1.00 0.00 C ATOM 404 CD GLN A 29 -9.028 -12.946 3.428 1.00 0.00 C ATOM 405 OE1 GLN A 29 -9.431 -12.310 4.402 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.384 -14.204 3.197 1.00 0.00 N ATOM 0 H GLN A 29 -6.928 -13.765 4.795 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.086 -13.974 2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.806 -11.642 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.197 -11.307 2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.508 -11.375 2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.996 -12.969 1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.026 -14.693 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.016 -14.681 3.840 1.00 0.00 H new ATOM 415 N LYS A 30 -3.854 -12.945 1.707 1.00 0.00 N ATOM 416 CA LYS A 30 -2.462 -12.597 1.442 1.00 0.00 C ATOM 417 C LYS A 30 -2.312 -11.098 1.204 1.00 0.00 C ATOM 418 O LYS A 30 -2.973 -10.529 0.336 1.00 0.00 O ATOM 419 CB LYS A 30 -1.943 -13.372 0.229 1.00 0.00 C ATOM 420 CG LYS A 30 -2.041 -14.880 0.383 1.00 0.00 C ATOM 421 CD LYS A 30 -1.039 -15.403 1.399 1.00 0.00 C ATOM 422 CE LYS A 30 -1.391 -16.809 1.857 1.00 0.00 C ATOM 423 NZ LYS A 30 -1.103 -17.824 0.805 1.00 0.00 N ATOM 0 H LYS A 30 -4.390 -13.198 0.877 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.872 -12.868 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.506 -13.068 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.902 -13.100 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.050 -15.150 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.866 -15.357 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.041 -15.401 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.010 -14.735 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.826 -17.049 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.447 -16.851 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.357 -18.769 1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.661 -17.610 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.090 -17.802 0.570 1.00 0.00 H new ATOM 437 N GLY A 31 -1.437 -10.465 1.979 1.00 0.00 N ATOM 438 CA GLY A 31 -1.215 -9.038 1.835 1.00 0.00 C ATOM 439 C GLY A 31 -1.371 -8.291 3.145 1.00 0.00 C ATOM 440 O GLY A 31 -1.744 -8.879 4.160 1.00 0.00 O ATOM 0 H GLY A 31 -0.878 -10.915 2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.213 -8.867 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.918 -8.636 1.105 1.00 0.00 H new ATOM 444 N GLN A 32 -1.084 -6.994 3.123 1.00 0.00 N ATOM 445 CA GLN A 32 -1.192 -6.168 4.319 1.00 0.00 C ATOM 446 C GLN A 32 -2.347 -5.179 4.195 1.00 0.00 C ATOM 447 O GLN A 32 -2.599 -4.637 3.119 1.00 0.00 O ATOM 448 CB GLN A 32 0.116 -5.414 4.564 1.00 0.00 C ATOM 449 CG GLN A 32 1.318 -6.326 4.754 1.00 0.00 C ATOM 450 CD GLN A 32 1.220 -7.165 6.013 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.196 -6.636 7.125 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.162 -8.481 5.845 1.00 0.00 N ATOM 0 H GLN A 32 -0.775 -6.493 2.290 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.389 -6.825 5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.305 -4.748 3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.004 -4.786 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.411 -6.984 3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.225 -5.722 4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.185 -8.877 4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.095 -9.096 6.656 1.00 0.00 H new ATOM 461 N ILE A 33 -3.044 -4.950 5.303 1.00 0.00 N ATOM 462 CA ILE A 33 -4.171 -4.026 5.318 1.00 0.00 C ATOM 463 C ILE A 33 -3.724 -2.619 5.701 1.00 0.00 C ATOM 464 O ILE A 33 -2.903 -2.442 6.602 1.00 0.00 O ATOM 465 CB ILE A 33 -5.266 -4.489 6.297 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.698 -5.921 5.973 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.458 -3.546 6.243 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.669 -6.501 6.977 1.00 0.00 C ATOM 0 H ILE A 33 -2.848 -5.391 6.201 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.580 -4.012 4.308 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.859 -4.472 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.157 -5.939 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.814 -6.557 5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.223 -3.887 6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.139 -2.540 6.517 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.867 -3.534 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.931 -7.518 6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.206 -6.516 7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.570 -5.888 7.008 1.00 0.00 H new ATOM 480 N ILE A 34 -4.271 -1.622 5.014 1.00 0.00 N ATOM 481 CA ILE A 34 -3.931 -0.231 5.285 1.00 0.00 C ATOM 482 C ILE A 34 -4.907 0.390 6.279 1.00 0.00 C ATOM 483 O ILE A 34 -6.075 0.006 6.342 1.00 0.00 O ATOM 484 CB ILE A 34 -3.926 0.609 3.994 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.869 0.082 3.021 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.674 2.074 4.317 1.00 0.00 C ATOM 487 CD1 ILE A 34 -3.024 0.615 1.614 1.00 0.00 C ATOM 0 H ILE A 34 -4.952 -1.752 4.265 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.929 -0.229 5.714 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.903 0.525 3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.879 0.346 3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.920 -1.007 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.673 2.655 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.460 2.442 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.708 2.177 4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.241 0.200 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.000 0.328 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.943 1.702 1.626 1.00 0.00 H new ATOM 499 N LYS A 35 -4.421 1.354 7.053 1.00 0.00 N ATOM 500 CA LYS A 35 -5.249 2.032 8.042 1.00 0.00 C ATOM 501 C LYS A 35 -4.481 3.170 8.708 1.00 0.00 C ATOM 502 O LYS A 35 -3.269 3.298 8.534 1.00 0.00 O ATOM 503 CB LYS A 35 -5.730 1.039 9.102 1.00 0.00 C ATOM 504 CG LYS A 35 -4.624 0.158 9.657 1.00 0.00 C ATOM 505 CD LYS A 35 -5.149 -1.210 10.058 1.00 0.00 C ATOM 506 CE LYS A 35 -5.701 -1.202 11.475 1.00 0.00 C ATOM 507 NZ LYS A 35 -6.876 -0.296 11.607 1.00 0.00 N ATOM 0 H LYS A 35 -3.456 1.683 7.014 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.113 2.453 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.190 1.590 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.505 0.406 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.840 0.043 8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.171 0.643 10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.931 -1.519 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.347 -1.945 9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.989 -2.214 11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.920 -0.887 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.495 -0.639 12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.550 0.665 11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.405 -0.280 10.711 1.00 0.00 H new ATOM 521 N ASP A 36 -5.193 3.992 9.471 1.00 0.00 N ATOM 522 CA ASP A 36 -4.577 5.117 10.164 1.00 0.00 C ATOM 523 C ASP A 36 -3.936 6.082 9.172 1.00 0.00 C ATOM 524 O ASP A 36 -2.836 6.585 9.403 1.00 0.00 O ATOM 525 CB ASP A 36 -3.528 4.618 11.160 1.00 0.00 C ATOM 526 CG ASP A 36 -4.136 4.219 12.490 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.527 5.122 13.259 1.00 0.00 O ATOM 528 OD2 ASP A 36 -4.222 3.003 12.761 1.00 0.00 O ATOM 0 H ASP A 36 -6.197 3.900 9.625 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.358 5.649 10.707 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.003 3.763 10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.785 5.399 11.323 1.00 0.00 H new ATOM 533 N ILE A 37 -4.631 6.335 8.068 1.00 0.00 N ATOM 534 CA ILE A 37 -4.129 7.240 7.041 1.00 0.00 C ATOM 535 C ILE A 37 -4.016 8.665 7.572 1.00 0.00 C ATOM 536 O ILE A 37 -4.840 9.107 8.371 1.00 0.00 O ATOM 537 CB ILE A 37 -5.037 7.238 5.797 1.00 0.00 C ATOM 538 CG1 ILE A 37 -4.996 5.871 5.111 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.614 8.335 4.831 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.082 5.682 4.075 1.00 0.00 C ATOM 0 H ILE A 37 -5.543 5.926 7.862 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.139 6.880 6.759 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.062 7.434 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.024 5.742 4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.087 5.091 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.265 8.321 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.690 9.304 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.583 8.167 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.992 4.691 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.058 5.779 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.979 6.439 3.298 1.00 0.00 H new ATOM 552 N GLU A 38 -2.990 9.379 7.120 1.00 0.00 N ATOM 553 CA GLU A 38 -2.770 10.755 7.549 1.00 0.00 C ATOM 554 C GLU A 38 -3.482 11.735 6.621 1.00 0.00 C ATOM 555 O GLU A 38 -3.555 11.539 5.408 1.00 0.00 O ATOM 556 CB GLU A 38 -1.272 11.068 7.586 1.00 0.00 C ATOM 557 CG GLU A 38 -0.517 10.304 8.661 1.00 0.00 C ATOM 558 CD GLU A 38 -0.912 10.727 10.063 1.00 0.00 C ATOM 559 OE1 GLU A 38 -1.385 11.871 10.226 1.00 0.00 O ATOM 560 OE2 GLU A 38 -0.747 9.914 10.997 1.00 0.00 O ATOM 0 H GLU A 38 -2.299 9.028 6.457 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.182 10.866 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.837 10.836 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.137 12.137 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.703 9.237 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.554 10.458 8.527 1.00 0.00 H new ATOM 567 N PRO A 39 -4.022 12.816 7.204 1.00 0.00 N ATOM 568 CA PRO A 39 -4.738 13.848 6.449 1.00 0.00 C ATOM 569 C PRO A 39 -3.808 14.669 5.563 1.00 0.00 C ATOM 570 O PRO A 39 -2.640 14.874 5.894 1.00 0.00 O ATOM 571 CB PRO A 39 -5.349 14.727 7.543 1.00 0.00 C ATOM 572 CG PRO A 39 -4.463 14.533 8.725 1.00 0.00 C ATOM 573 CD PRO A 39 -3.973 13.114 8.646 1.00 0.00 C ATOM 0 HA PRO A 39 -5.473 13.419 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.380 15.773 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.374 14.429 7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.630 15.235 8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.007 14.707 9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.963 13.015 9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.608 12.437 9.218 1.00 0.00 H new ATOM 581 N GLY A 40 -4.333 15.139 4.436 1.00 0.00 N ATOM 582 CA GLY A 40 -3.535 15.933 3.520 1.00 0.00 C ATOM 583 C GLY A 40 -2.165 15.332 3.273 1.00 0.00 C ATOM 584 O GLY A 40 -1.209 16.049 2.981 1.00 0.00 O ATOM 0 H GLY A 40 -5.297 14.984 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.063 16.028 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.420 16.939 3.922 1.00 0.00 H new ATOM 588 N SER A 41 -2.070 14.011 3.392 1.00 0.00 N ATOM 589 CA SER A 41 -0.806 13.315 3.186 1.00 0.00 C ATOM 590 C SER A 41 -0.759 12.672 1.803 1.00 0.00 C ATOM 591 O SER A 41 -1.787 12.394 1.185 1.00 0.00 O ATOM 592 CB SER A 41 -0.605 12.247 4.263 1.00 0.00 C ATOM 593 OG SER A 41 -1.267 11.043 3.918 1.00 0.00 O ATOM 0 H SER A 41 -2.853 13.402 3.630 1.00 0.00 H new ATOM 0 HA SER A 41 -0.002 14.047 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.460 12.055 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.983 12.613 5.217 1.00 0.00 H new ATOM 0 HG SER A 41 -2.147 11.019 4.349 1.00 0.00 H new ATOM 599 N PRO A 42 0.462 12.430 1.304 1.00 0.00 N ATOM 600 CA PRO A 42 0.674 11.817 -0.010 1.00 0.00 C ATOM 601 C PRO A 42 -0.185 10.574 -0.215 1.00 0.00 C ATOM 602 O PRO A 42 -0.644 10.301 -1.324 1.00 0.00 O ATOM 603 CB PRO A 42 2.158 11.444 0.007 1.00 0.00 C ATOM 604 CG PRO A 42 2.777 12.399 0.969 1.00 0.00 C ATOM 605 CD PRO A 42 1.731 12.735 1.987 1.00 0.00 C ATOM 0 HA PRO A 42 0.399 12.490 -0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.303 10.412 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.601 11.537 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.650 11.954 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.118 13.298 0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.850 12.141 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.784 13.783 2.283 1.00 0.00 H new ATOM 613 N ALA A 43 -0.400 9.824 0.861 1.00 0.00 N ATOM 614 CA ALA A 43 -1.206 8.612 0.799 1.00 0.00 C ATOM 615 C ALA A 43 -2.654 8.933 0.447 1.00 0.00 C ATOM 616 O ALA A 43 -3.214 8.367 -0.491 1.00 0.00 O ATOM 617 CB ALA A 43 -1.136 7.863 2.122 1.00 0.00 C ATOM 0 H ALA A 43 -0.027 10.035 1.786 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.801 7.976 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.743 6.960 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.101 7.592 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.513 8.501 2.921 1.00 0.00 H new ATOM 623 N GLU A 44 -3.256 9.844 1.206 1.00 0.00 N ATOM 624 CA GLU A 44 -4.640 10.238 0.973 1.00 0.00 C ATOM 625 C GLU A 44 -4.798 10.884 -0.400 1.00 0.00 C ATOM 626 O GLU A 44 -5.770 10.626 -1.110 1.00 0.00 O ATOM 627 CB GLU A 44 -5.108 11.206 2.062 1.00 0.00 C ATOM 628 CG GLU A 44 -6.601 11.483 2.029 1.00 0.00 C ATOM 629 CD GLU A 44 -7.405 10.436 2.776 1.00 0.00 C ATOM 630 OE1 GLU A 44 -6.964 9.269 2.818 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.475 10.784 3.318 1.00 0.00 O ATOM 0 H GLU A 44 -2.807 10.322 1.987 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.257 9.340 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.844 10.797 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.570 12.148 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.795 12.463 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.937 11.522 0.993 1.00 0.00 H new ATOM 638 N ALA A 45 -3.837 11.725 -0.766 1.00 0.00 N ATOM 639 CA ALA A 45 -3.868 12.407 -2.054 1.00 0.00 C ATOM 640 C ALA A 45 -3.716 11.417 -3.203 1.00 0.00 C ATOM 641 O ALA A 45 -4.247 11.630 -4.293 1.00 0.00 O ATOM 642 CB ALA A 45 -2.776 13.465 -2.117 1.00 0.00 C ATOM 0 H ALA A 45 -3.027 11.951 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.837 12.895 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.811 13.966 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.931 14.196 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.803 12.991 -1.989 1.00 0.00 H new ATOM 648 N ALA A 46 -2.987 10.334 -2.953 1.00 0.00 N ATOM 649 CA ALA A 46 -2.767 9.311 -3.967 1.00 0.00 C ATOM 650 C ALA A 46 -4.082 8.663 -4.389 1.00 0.00 C ATOM 651 O ALA A 46 -4.247 8.261 -5.540 1.00 0.00 O ATOM 652 CB ALA A 46 -1.799 8.256 -3.452 1.00 0.00 C ATOM 0 H ALA A 46 -2.539 10.143 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.331 9.792 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.644 7.498 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.846 8.725 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.213 7.788 -2.559 1.00 0.00 H new ATOM 658 N GLY A 47 -5.016 8.565 -3.448 1.00 0.00 N ATOM 659 CA GLY A 47 -6.304 7.964 -3.741 1.00 0.00 C ATOM 660 C GLY A 47 -6.522 6.664 -2.994 1.00 0.00 C ATOM 661 O GLY A 47 -7.353 5.845 -3.386 1.00 0.00 O ATOM 0 H GLY A 47 -4.904 8.891 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.096 8.666 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.380 7.780 -4.813 1.00 0.00 H new ATOM 665 N LEU A 48 -5.772 6.472 -1.914 1.00 0.00 N ATOM 666 CA LEU A 48 -5.885 5.260 -1.110 1.00 0.00 C ATOM 667 C LEU A 48 -7.225 5.212 -0.383 1.00 0.00 C ATOM 668 O LEU A 48 -8.083 6.073 -0.581 1.00 0.00 O ATOM 669 CB LEU A 48 -4.740 5.187 -0.098 1.00 0.00 C ATOM 670 CG LEU A 48 -3.471 4.477 -0.570 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.443 4.419 0.550 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.798 3.077 -1.069 1.00 0.00 C ATOM 0 H LEU A 48 -5.079 7.140 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.825 4.402 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.476 6.203 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.104 4.681 0.796 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.045 5.046 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.547 3.910 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.186 5.432 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.858 3.874 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.883 2.586 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.248 2.499 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.498 3.142 -1.902 1.00 0.00 H new ATOM 684 N LYS A 49 -7.398 4.201 0.462 1.00 0.00 N ATOM 685 CA LYS A 49 -8.632 4.041 1.222 1.00 0.00 C ATOM 686 C LYS A 49 -8.435 3.071 2.382 1.00 0.00 C ATOM 687 O LYS A 49 -7.911 1.972 2.202 1.00 0.00 O ATOM 688 CB LYS A 49 -9.756 3.542 0.311 1.00 0.00 C ATOM 689 CG LYS A 49 -10.262 4.593 -0.662 1.00 0.00 C ATOM 690 CD LYS A 49 -11.615 4.213 -1.240 1.00 0.00 C ATOM 691 CE LYS A 49 -12.152 5.296 -2.162 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.627 6.486 -1.402 1.00 0.00 N ATOM 0 H LYS A 49 -6.698 3.480 0.638 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.907 5.014 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.400 2.679 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.587 3.200 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.340 5.554 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.542 4.718 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.526 3.276 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.323 4.040 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.371 5.599 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.972 4.893 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.047 7.173 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.341 6.191 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.824 6.926 -0.908 1.00 0.00 H new ATOM 706 N ASN A 50 -8.860 3.483 3.572 1.00 0.00 N ATOM 707 CA ASN A 50 -8.730 2.649 4.761 1.00 0.00 C ATOM 708 C ASN A 50 -9.220 1.231 4.487 1.00 0.00 C ATOM 709 O ASN A 50 -10.154 1.025 3.712 1.00 0.00 O ATOM 710 CB ASN A 50 -9.517 3.257 5.924 1.00 0.00 C ATOM 711 CG ASN A 50 -9.047 4.656 6.272 1.00 0.00 C ATOM 712 OD1 ASN A 50 -7.821 4.761 6.770 1.00 0.00 O flip ATOM 713 ND2 ASN A 50 -9.778 5.630 6.094 1.00 0.00 N flip ATOM 0 H ASN A 50 -9.297 4.389 3.738 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.674 2.604 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.576 3.286 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.419 2.616 6.800 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.714 5.502 5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.448 6.565 6.332 1.00 0.00 H new ATOM 720 N ASN A 51 -8.584 0.256 5.128 1.00 0.00 N ATOM 721 CA ASN A 51 -8.955 -1.144 4.953 1.00 0.00 C ATOM 722 C ASN A 51 -8.505 -1.660 3.590 1.00 0.00 C ATOM 723 O ASN A 51 -9.078 -2.608 3.054 1.00 0.00 O ATOM 724 CB ASN A 51 -10.469 -1.314 5.101 1.00 0.00 C ATOM 725 CG ASN A 51 -11.027 -0.530 6.273 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.879 0.690 6.346 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.672 -1.230 7.199 1.00 0.00 N ATOM 0 H ASN A 51 -7.809 0.409 5.773 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.453 -1.726 5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.960 -0.989 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.702 -2.371 5.230 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.068 -0.758 8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.771 -2.240 7.098 1.00 0.00 H new ATOM 734 N ASP A 52 -7.475 -1.030 3.036 1.00 0.00 N ATOM 735 CA ASP A 52 -6.946 -1.426 1.736 1.00 0.00 C ATOM 736 C ASP A 52 -5.886 -2.513 1.889 1.00 0.00 C ATOM 737 O ASP A 52 -4.877 -2.319 2.568 1.00 0.00 O ATOM 738 CB ASP A 52 -6.353 -0.216 1.013 1.00 0.00 C ATOM 739 CG ASP A 52 -7.380 0.517 0.173 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.462 -0.055 -0.076 1.00 0.00 O ATOM 741 OD2 ASP A 52 -7.102 1.664 -0.236 1.00 0.00 O ATOM 0 H ASP A 52 -6.990 -0.243 3.467 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.768 -1.826 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.931 0.471 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.533 -0.544 0.374 1.00 0.00 H new ATOM 746 N LEU A 53 -6.123 -3.656 1.255 1.00 0.00 N ATOM 747 CA LEU A 53 -5.190 -4.775 1.321 1.00 0.00 C ATOM 748 C LEU A 53 -4.251 -4.773 0.118 1.00 0.00 C ATOM 749 O LEU A 53 -4.696 -4.810 -1.029 1.00 0.00 O ATOM 750 CB LEU A 53 -5.954 -6.099 1.384 1.00 0.00 C ATOM 751 CG LEU A 53 -5.236 -7.255 2.081 1.00 0.00 C ATOM 752 CD1 LEU A 53 -6.241 -8.190 2.736 1.00 0.00 C ATOM 753 CD2 LEU A 53 -4.364 -8.015 1.091 1.00 0.00 C ATOM 0 H LEU A 53 -6.953 -3.832 0.689 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.592 -4.664 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.901 -5.925 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.193 -6.407 0.366 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.594 -6.843 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.712 -9.007 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.823 -7.639 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.909 -8.596 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.860 -8.834 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.986 -8.416 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.620 -7.340 0.668 1.00 0.00 H new ATOM 765 N VAL A 54 -2.951 -4.732 0.389 1.00 0.00 N ATOM 766 CA VAL A 54 -1.949 -4.728 -0.670 1.00 0.00 C ATOM 767 C VAL A 54 -1.328 -6.110 -0.843 1.00 0.00 C ATOM 768 O VAL A 54 -0.832 -6.704 0.114 1.00 0.00 O ATOM 769 CB VAL A 54 -0.832 -3.708 -0.383 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.068 -3.544 -1.599 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.426 -2.371 0.034 1.00 0.00 C ATOM 0 H VAL A 54 -2.567 -4.701 1.333 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.461 -4.444 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.225 -4.083 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.851 -2.819 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.521 -4.503 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.523 -3.192 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.622 -1.662 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.058 -1.988 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.024 -2.504 0.936 1.00 0.00 H new ATOM 781 N VAL A 55 -1.358 -6.616 -2.072 1.00 0.00 N ATOM 782 CA VAL A 55 -0.796 -7.928 -2.372 1.00 0.00 C ATOM 783 C VAL A 55 0.579 -7.802 -3.018 1.00 0.00 C ATOM 784 O VAL A 55 1.441 -8.662 -2.838 1.00 0.00 O ATOM 785 CB VAL A 55 -1.718 -8.733 -3.307 1.00 0.00 C ATOM 786 CG1 VAL A 55 -2.912 -9.279 -2.539 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.174 -7.872 -4.475 1.00 0.00 C ATOM 0 H VAL A 55 -1.765 -6.138 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.702 -8.456 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.155 -9.577 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.552 -9.845 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.563 -9.932 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.478 -8.452 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.825 -8.456 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.720 -7.007 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.305 -7.535 -5.039 1.00 0.00 H new ATOM 797 N ALA A 56 0.777 -6.725 -3.770 1.00 0.00 N ATOM 798 CA ALA A 56 2.049 -6.485 -4.441 1.00 0.00 C ATOM 799 C ALA A 56 2.449 -5.016 -4.350 1.00 0.00 C ATOM 800 O ALA A 56 1.606 -4.145 -4.134 1.00 0.00 O ATOM 801 CB ALA A 56 1.969 -6.923 -5.896 1.00 0.00 C ATOM 0 H ALA A 56 0.073 -6.004 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 56 2.815 -7.075 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.926 -6.738 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.737 -7.987 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.187 -6.358 -6.404 1.00 0.00 H new ATOM 807 N VAL A 57 3.740 -4.748 -4.516 1.00 0.00 N ATOM 808 CA VAL A 57 4.252 -3.384 -4.453 1.00 0.00 C ATOM 809 C VAL A 57 5.350 -3.161 -5.487 1.00 0.00 C ATOM 810 O VAL A 57 6.401 -3.797 -5.437 1.00 0.00 O ATOM 811 CB VAL A 57 4.805 -3.055 -3.054 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.595 -1.756 -3.083 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.674 -2.979 -2.039 1.00 0.00 C ATOM 0 H VAL A 57 4.451 -5.457 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 57 3.414 -2.722 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 57 5.481 -3.855 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.978 -1.540 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.429 -1.853 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.946 -0.942 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.083 -2.746 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.972 -2.199 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.156 -3.937 -1.999 1.00 0.00 H new ATOM 823 N ASN A 58 5.098 -2.251 -6.423 1.00 0.00 N ATOM 824 CA ASN A 58 6.066 -1.944 -7.470 1.00 0.00 C ATOM 825 C ASN A 58 6.308 -3.158 -8.361 1.00 0.00 C ATOM 826 O ASN A 58 7.428 -3.398 -8.810 1.00 0.00 O ATOM 827 CB ASN A 58 7.386 -1.478 -6.852 1.00 0.00 C ATOM 828 CG ASN A 58 7.432 0.024 -6.649 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.507 0.741 -7.030 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.512 0.506 -6.045 1.00 0.00 N ATOM 0 H ASN A 58 4.233 -1.714 -6.478 1.00 0.00 H new ATOM 0 HA ASN A 58 5.657 -1.142 -8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.531 -1.976 -5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.212 -1.780 -7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.599 1.509 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.254 -0.127 -5.746 1.00 0.00 H new ATOM 837 N GLY A 59 5.249 -3.922 -8.613 1.00 0.00 N ATOM 838 CA GLY A 59 5.367 -5.102 -9.449 1.00 0.00 C ATOM 839 C GLY A 59 6.099 -6.233 -8.755 1.00 0.00 C ATOM 840 O GLY A 59 6.970 -6.874 -9.344 1.00 0.00 O ATOM 0 H GLY A 59 4.311 -3.744 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.372 -5.440 -9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.894 -4.842 -10.367 1.00 0.00 H new ATOM 844 N LYS A 60 5.747 -6.480 -7.498 1.00 0.00 N ATOM 845 CA LYS A 60 6.376 -7.542 -6.721 1.00 0.00 C ATOM 846 C LYS A 60 5.438 -8.044 -5.628 1.00 0.00 C ATOM 847 O LYS A 60 4.740 -7.259 -4.986 1.00 0.00 O ATOM 848 CB LYS A 60 7.681 -7.041 -6.098 1.00 0.00 C ATOM 849 CG LYS A 60 8.657 -6.467 -7.110 1.00 0.00 C ATOM 850 CD LYS A 60 10.058 -6.356 -6.533 1.00 0.00 C ATOM 851 CE LYS A 60 10.239 -5.064 -5.752 1.00 0.00 C ATOM 852 NZ LYS A 60 11.669 -4.654 -5.679 1.00 0.00 N ATOM 0 H LYS A 60 5.029 -5.959 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 60 6.597 -8.370 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.450 -6.277 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.161 -7.865 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.677 -7.100 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.315 -5.482 -7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.252 -7.207 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.789 -6.400 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.658 -4.271 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.846 -5.192 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.749 -3.769 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.220 -5.399 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.038 -4.507 -6.640 1.00 0.00 H new ATOM 866 N SER A 61 5.429 -9.357 -5.420 1.00 0.00 N ATOM 867 CA SER A 61 4.576 -9.965 -4.405 1.00 0.00 C ATOM 868 C SER A 61 5.125 -9.704 -3.006 1.00 0.00 C ATOM 869 O SER A 61 6.177 -10.225 -2.633 1.00 0.00 O ATOM 870 CB SER A 61 4.454 -11.471 -4.646 1.00 0.00 C ATOM 871 OG SER A 61 4.122 -11.746 -5.996 1.00 0.00 O ATOM 0 H SER A 61 6.003 -10.020 -5.941 1.00 0.00 H new ATOM 0 HA SER A 61 3.587 -9.512 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.394 -11.960 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.691 -11.887 -3.988 1.00 0.00 H new ATOM 0 HG SER A 61 4.052 -12.715 -6.125 1.00 0.00 H new ATOM 877 N VAL A 62 4.406 -8.894 -2.236 1.00 0.00 N ATOM 878 CA VAL A 62 4.820 -8.564 -0.877 1.00 0.00 C ATOM 879 C VAL A 62 4.065 -9.405 0.147 1.00 0.00 C ATOM 880 O VAL A 62 4.592 -9.724 1.212 1.00 0.00 O ATOM 881 CB VAL A 62 4.593 -7.073 -0.568 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.229 -6.202 -1.641 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.107 -6.776 -0.439 1.00 0.00 C ATOM 0 H VAL A 62 3.534 -8.454 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 62 5.885 -8.783 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 62 5.070 -6.840 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.058 -5.152 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.301 -6.396 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.784 -6.434 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.965 -5.718 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.604 -7.024 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.685 -7.373 0.370 1.00 0.00 H new ATOM 893 N GLU A 63 2.828 -9.760 -0.184 1.00 0.00 N ATOM 894 CA GLU A 63 2.000 -10.564 0.707 1.00 0.00 C ATOM 895 C GLU A 63 2.824 -11.663 1.372 1.00 0.00 C ATOM 896 O GLU A 63 2.661 -11.944 2.559 1.00 0.00 O ATOM 897 CB GLU A 63 0.832 -11.183 -0.064 1.00 0.00 C ATOM 898 CG GLU A 63 1.219 -12.410 -0.872 1.00 0.00 C ATOM 899 CD GLU A 63 1.385 -13.647 -0.011 1.00 0.00 C ATOM 900 OE1 GLU A 63 1.133 -13.560 1.209 1.00 0.00 O ATOM 901 OE2 GLU A 63 1.767 -14.703 -0.557 1.00 0.00 O ATOM 0 H GLU A 63 2.377 -9.504 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 63 1.606 -9.909 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.046 -11.455 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.413 -10.434 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.457 -12.598 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.151 -12.213 -1.401 1.00 0.00 H new ATOM 908 N ALA A 64 3.710 -12.280 0.597 1.00 0.00 N ATOM 909 CA ALA A 64 4.561 -13.346 1.110 1.00 0.00 C ATOM 910 C ALA A 64 5.458 -12.840 2.235 1.00 0.00 C ATOM 911 O ALA A 64 5.622 -13.505 3.259 1.00 0.00 O ATOM 912 CB ALA A 64 5.402 -13.937 -0.012 1.00 0.00 C ATOM 0 H ALA A 64 3.857 -12.060 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 64 3.917 -14.126 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.033 -14.732 0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.747 -14.345 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.030 -13.158 -0.445 1.00 0.00 H new ATOM 918 N LEU A 65 6.037 -11.661 2.038 1.00 0.00 N ATOM 919 CA LEU A 65 6.919 -11.066 3.036 1.00 0.00 C ATOM 920 C LEU A 65 6.171 -10.810 4.340 1.00 0.00 C ATOM 921 O LEU A 65 4.978 -11.095 4.450 1.00 0.00 O ATOM 922 CB LEU A 65 7.509 -9.757 2.508 1.00 0.00 C ATOM 923 CG LEU A 65 8.745 -9.888 1.618 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.893 -8.666 0.726 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.994 -10.087 2.465 1.00 0.00 C ATOM 0 H LEU A 65 5.912 -11.098 1.197 1.00 0.00 H new ATOM 0 HA LEU A 65 7.728 -11.768 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.735 -9.234 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.765 -9.127 3.360 1.00 0.00 H new ATOM 0 HG LEU A 65 8.619 -10.764 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.778 -8.778 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.011 -8.568 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.996 -7.774 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.864 -10.178 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.124 -9.231 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.889 -10.994 3.060 1.00 0.00 H new ATOM 937 N ASP A 66 6.878 -10.269 5.326 1.00 0.00 N ATOM 938 CA ASP A 66 6.281 -9.971 6.622 1.00 0.00 C ATOM 939 C ASP A 66 6.107 -8.467 6.808 1.00 0.00 C ATOM 940 O ASP A 66 6.580 -7.672 5.995 1.00 0.00 O ATOM 941 CB ASP A 66 7.144 -10.541 7.749 1.00 0.00 C ATOM 942 CG ASP A 66 8.587 -10.086 7.658 1.00 0.00 C ATOM 943 OD1 ASP A 66 9.362 -10.716 6.908 1.00 0.00 O ATOM 944 OD2 ASP A 66 8.942 -9.101 8.338 1.00 0.00 O ATOM 0 H ASP A 66 7.866 -10.028 5.252 1.00 0.00 H new ATOM 0 HA ASP A 66 5.297 -10.439 6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.730 -10.236 8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.106 -11.630 7.717 1.00 0.00 H new ATOM 949 N HIS A 67 5.426 -8.083 7.883 1.00 0.00 N ATOM 950 CA HIS A 67 5.190 -6.674 8.176 1.00 0.00 C ATOM 951 C HIS A 67 6.380 -5.822 7.743 1.00 0.00 C ATOM 952 O HIS A 67 6.228 -4.870 6.978 1.00 0.00 O ATOM 953 CB HIS A 67 4.924 -6.479 9.669 1.00 0.00 C ATOM 954 CG HIS A 67 4.906 -5.042 10.091 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.852 -4.078 9.993 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.819 -4.449 10.698 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.324 -2.933 10.535 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 4.096 -3.183 10.953 1.00 0.00 N flip ATOM 0 H HIS A 67 5.028 -8.728 8.566 1.00 0.00 H new ATOM 0 HA HIS A 67 4.313 -6.354 7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.967 -6.936 9.922 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.689 -7.007 10.238 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.887 -4.943 10.929 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.830 -1.982 10.608 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.469 -2.513 11.397 1.00 0.00 H new ATOM 967 N ASP A 68 7.562 -6.172 8.238 1.00 0.00 N ATOM 968 CA ASP A 68 8.778 -5.440 7.903 1.00 0.00 C ATOM 969 C ASP A 68 9.080 -5.543 6.412 1.00 0.00 C ATOM 970 O ASP A 68 9.224 -4.532 5.725 1.00 0.00 O ATOM 971 CB ASP A 68 9.960 -5.973 8.714 1.00 0.00 C ATOM 972 CG ASP A 68 11.165 -5.055 8.654 1.00 0.00 C ATOM 973 OD1 ASP A 68 11.109 -3.962 9.256 1.00 0.00 O ATOM 974 OD2 ASP A 68 12.163 -5.430 8.005 1.00 0.00 O ATOM 0 H ASP A 68 7.704 -6.958 8.873 1.00 0.00 H new ATOM 0 HA ASP A 68 8.621 -4.390 8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.656 -6.101 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.239 -6.958 8.340 1.00 0.00 H new ATOM 979 N GLY A 69 9.177 -6.773 5.916 1.00 0.00 N ATOM 980 CA GLY A 69 9.463 -6.986 4.509 1.00 0.00 C ATOM 981 C GLY A 69 8.682 -6.048 3.611 1.00 0.00 C ATOM 982 O GLY A 69 9.266 -5.282 2.844 1.00 0.00 O ATOM 0 H GLY A 69 9.063 -7.626 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.530 -6.848 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.227 -8.017 4.245 1.00 0.00 H new ATOM 986 N VAL A 70 7.357 -6.108 3.703 1.00 0.00 N ATOM 987 CA VAL A 70 6.495 -5.258 2.891 1.00 0.00 C ATOM 988 C VAL A 70 6.837 -3.785 3.083 1.00 0.00 C ATOM 989 O VAL A 70 7.347 -3.131 2.173 1.00 0.00 O ATOM 990 CB VAL A 70 5.009 -5.477 3.232 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.124 -4.629 2.331 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.648 -6.950 3.115 1.00 0.00 C ATOM 0 H VAL A 70 6.858 -6.737 4.332 1.00 0.00 H new ATOM 0 HA VAL A 70 6.666 -5.535 1.851 1.00 0.00 H new ATOM 0 HB VAL A 70 4.840 -5.166 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.078 -4.797 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.367 -3.575 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.292 -4.906 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.595 -7.087 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.831 -7.290 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.259 -7.530 3.806 1.00 0.00 H new ATOM 1002 N VAL A 71 6.554 -3.268 4.275 1.00 0.00 N ATOM 1003 CA VAL A 71 6.833 -1.871 4.588 1.00 0.00 C ATOM 1004 C VAL A 71 8.214 -1.462 4.089 1.00 0.00 C ATOM 1005 O VAL A 71 8.465 -0.287 3.823 1.00 0.00 O ATOM 1006 CB VAL A 71 6.748 -1.608 6.103 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.304 -0.232 6.438 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.312 -1.745 6.587 1.00 0.00 C ATOM 0 H VAL A 71 6.132 -3.795 5.039 1.00 0.00 H new ATOM 0 HA VAL A 71 6.075 -1.275 4.080 1.00 0.00 H new ATOM 0 HB VAL A 71 7.354 -2.353 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.236 -0.064 7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.347 -0.176 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.728 0.531 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.270 -1.556 7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.682 -1.024 6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.954 -2.754 6.382 1.00 0.00 H new ATOM 1018 N GLU A 72 9.107 -2.439 3.964 1.00 0.00 N ATOM 1019 CA GLU A 72 10.463 -2.180 3.497 1.00 0.00 C ATOM 1020 C GLU A 72 10.475 -1.877 2.002 1.00 0.00 C ATOM 1021 O GLU A 72 11.109 -0.921 1.556 1.00 0.00 O ATOM 1022 CB GLU A 72 11.367 -3.378 3.794 1.00 0.00 C ATOM 1023 CG GLU A 72 12.846 -3.034 3.820 1.00 0.00 C ATOM 1024 CD GLU A 72 13.165 -1.901 4.776 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.327 -2.171 5.984 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.252 -0.743 4.315 1.00 0.00 O ATOM 0 H GLU A 72 8.915 -3.417 4.180 1.00 0.00 H new ATOM 0 HA GLU A 72 10.843 -1.308 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.085 -3.805 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.195 -4.147 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.416 -3.918 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.169 -2.759 2.816 1.00 0.00 H new ATOM 1033 N MET A 73 9.770 -2.700 1.232 1.00 0.00 N ATOM 1034 CA MET A 73 9.699 -2.521 -0.214 1.00 0.00 C ATOM 1035 C MET A 73 9.361 -1.076 -0.566 1.00 0.00 C ATOM 1036 O MET A 73 9.994 -0.476 -1.435 1.00 0.00 O ATOM 1037 CB MET A 73 8.654 -3.463 -0.815 1.00 0.00 C ATOM 1038 CG MET A 73 9.010 -4.934 -0.676 1.00 0.00 C ATOM 1039 SD MET A 73 10.189 -5.484 -1.925 1.00 0.00 S ATOM 1040 CE MET A 73 9.363 -6.947 -2.548 1.00 0.00 C ATOM 0 H MET A 73 9.240 -3.497 1.585 1.00 0.00 H new ATOM 0 HA MET A 73 10.676 -2.760 -0.634 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.694 -3.283 -0.332 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.528 -3.226 -1.872 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.428 -5.111 0.315 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.102 -5.532 -0.751 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.107 -7.681 -2.857 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.737 -7.373 -1.764 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.742 -6.678 -3.403 1.00 0.00 H new ATOM 1050 N ILE A 74 8.361 -0.524 0.113 1.00 0.00 N ATOM 1051 CA ILE A 74 7.941 0.850 -0.129 1.00 0.00 C ATOM 1052 C ILE A 74 9.101 1.821 0.060 1.00 0.00 C ATOM 1053 O ILE A 74 9.250 2.781 -0.696 1.00 0.00 O ATOM 1054 CB ILE A 74 6.787 1.259 0.805 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.564 0.372 0.560 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.435 2.725 0.602 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.563 -0.897 1.383 1.00 0.00 C ATOM 0 H ILE A 74 7.827 -1.008 0.835 1.00 0.00 H new ATOM 0 HA ILE A 74 7.596 0.897 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 74 7.109 1.123 1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.662 0.941 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.521 0.110 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.618 2.999 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.306 3.342 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.129 2.886 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.667 -1.476 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.447 -1.488 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.574 -0.643 2.443 1.00 0.00 H new ATOM 1069 N ARG A 75 9.922 1.564 1.073 1.00 0.00 N ATOM 1070 CA ARG A 75 11.071 2.414 1.361 1.00 0.00 C ATOM 1071 C ARG A 75 12.193 2.171 0.356 1.00 0.00 C ATOM 1072 O ARG A 75 12.896 3.100 -0.042 1.00 0.00 O ATOM 1073 CB ARG A 75 11.578 2.158 2.781 1.00 0.00 C ATOM 1074 CG ARG A 75 10.708 2.781 3.861 1.00 0.00 C ATOM 1075 CD ARG A 75 10.900 2.087 5.200 1.00 0.00 C ATOM 1076 NE ARG A 75 10.386 2.886 6.309 1.00 0.00 N ATOM 1077 CZ ARG A 75 11.059 3.883 6.871 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.268 4.203 6.430 1.00 0.00 N ATOM 1079 NH2 ARG A 75 10.524 4.564 7.876 1.00 0.00 N ATOM 0 H ARG A 75 9.813 0.774 1.708 1.00 0.00 H new ATOM 0 HA ARG A 75 10.753 3.453 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.636 1.082 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.591 2.550 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.951 3.839 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.661 2.721 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.394 1.122 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.960 1.889 5.357 1.00 0.00 H new ATOM 0 HE ARG A 75 9.459 2.666 6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.683 3.683 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.783 4.969 6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.594 4.322 8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.043 5.330 8.306 1.00 0.00 H new ATOM 1093 N LYS A 76 12.356 0.916 -0.049 1.00 0.00 N ATOM 1094 CA LYS A 76 13.392 0.550 -1.007 1.00 0.00 C ATOM 1095 C LYS A 76 13.158 1.235 -2.350 1.00 0.00 C ATOM 1096 O LYS A 76 14.101 1.505 -3.092 1.00 0.00 O ATOM 1097 CB LYS A 76 13.426 -0.969 -1.196 1.00 0.00 C ATOM 1098 CG LYS A 76 13.856 -1.727 0.048 1.00 0.00 C ATOM 1099 CD LYS A 76 14.273 -3.150 -0.283 1.00 0.00 C ATOM 1100 CE LYS A 76 15.137 -3.748 0.816 1.00 0.00 C ATOM 1101 NZ LYS A 76 15.528 -5.152 0.513 1.00 0.00 N ATOM 0 H LYS A 76 11.783 0.135 0.272 1.00 0.00 H new ATOM 0 HA LYS A 76 14.352 0.883 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.436 -1.312 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.107 -1.210 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.686 -1.205 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.036 -1.745 0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.385 -3.766 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.822 -3.160 -1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.033 -3.141 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.595 -3.718 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.116 -5.523 1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.674 -5.737 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.068 -5.178 -0.376 1.00 0.00 H new ATOM 1115 N GLY A 77 11.894 1.514 -2.655 1.00 0.00 N ATOM 1116 CA GLY A 77 11.560 2.167 -3.907 1.00 0.00 C ATOM 1117 C GLY A 77 11.757 3.669 -3.849 1.00 0.00 C ATOM 1118 O GLY A 77 10.897 4.432 -4.288 1.00 0.00 O ATOM 0 H GLY A 77 11.096 1.299 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.177 1.753 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.523 1.949 -4.161 1.00 0.00 H new ATOM 1122 N GLY A 78 12.892 4.095 -3.303 1.00 0.00 N ATOM 1123 CA GLY A 78 13.176 5.514 -3.197 1.00 0.00 C ATOM 1124 C GLY A 78 12.137 6.255 -2.378 1.00 0.00 C ATOM 1125 O GLY A 78 11.731 5.791 -1.313 1.00 0.00 O ATOM 0 H GLY A 78 13.619 3.483 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.157 5.652 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.223 5.947 -4.196 1.00 0.00 H new ATOM 1129 N ASP A 79 11.708 7.409 -2.876 1.00 0.00 N ATOM 1130 CA ASP A 79 10.710 8.216 -2.183 1.00 0.00 C ATOM 1131 C ASP A 79 9.303 7.861 -2.652 1.00 0.00 C ATOM 1132 O ASP A 79 8.361 7.840 -1.860 1.00 0.00 O ATOM 1133 CB ASP A 79 10.977 9.704 -2.413 1.00 0.00 C ATOM 1134 CG ASP A 79 12.187 10.201 -1.646 1.00 0.00 C ATOM 1135 OD1 ASP A 79 13.040 9.365 -1.279 1.00 0.00 O ATOM 1136 OD2 ASP A 79 12.282 11.424 -1.413 1.00 0.00 O ATOM 0 H ASP A 79 12.035 7.807 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 79 10.783 8.002 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.127 9.883 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.100 10.278 -2.114 1.00 0.00 H new ATOM 1141 N GLN A 80 9.168 7.583 -3.945 1.00 0.00 N ATOM 1142 CA GLN A 80 7.875 7.231 -4.520 1.00 0.00 C ATOM 1143 C GLN A 80 7.831 5.754 -4.895 1.00 0.00 C ATOM 1144 O GLN A 80 8.835 5.178 -5.316 1.00 0.00 O ATOM 1145 CB GLN A 80 7.589 8.091 -5.752 1.00 0.00 C ATOM 1146 CG GLN A 80 8.418 7.709 -6.967 1.00 0.00 C ATOM 1147 CD GLN A 80 8.366 8.755 -8.062 1.00 0.00 C ATOM 1148 OE1 GLN A 80 8.883 9.862 -7.905 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.739 8.411 -9.181 1.00 0.00 N ATOM 0 H GLN A 80 9.938 7.595 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 80 7.108 7.420 -3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.532 8.010 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.779 9.136 -5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.454 7.559 -6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.060 6.758 -7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.325 7.483 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.672 9.075 -9.953 1.00 0.00 H new ATOM 1158 N THR A 81 6.660 5.143 -4.741 1.00 0.00 N ATOM 1159 CA THR A 81 6.485 3.733 -5.062 1.00 0.00 C ATOM 1160 C THR A 81 5.023 3.412 -5.352 1.00 0.00 C ATOM 1161 O THR A 81 4.123 3.884 -4.657 1.00 0.00 O ATOM 1162 CB THR A 81 6.979 2.830 -3.916 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.799 1.453 -4.265 1.00 0.00 O ATOM 1164 CG2 THR A 81 6.231 3.134 -2.627 1.00 0.00 C ATOM 0 H THR A 81 5.818 5.604 -4.395 1.00 0.00 H new ATOM 0 HA THR A 81 7.081 3.536 -5.953 1.00 0.00 H new ATOM 0 HB THR A 81 8.039 3.028 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.117 0.885 -3.532 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.597 2.484 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.394 4.175 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.165 2.961 -2.775 1.00 0.00 H new ATOM 1172 N THR A 82 4.792 2.605 -6.383 1.00 0.00 N ATOM 1173 CA THR A 82 3.439 2.221 -6.765 1.00 0.00 C ATOM 1174 C THR A 82 2.948 1.039 -5.937 1.00 0.00 C ATOM 1175 O THR A 82 3.723 0.148 -5.587 1.00 0.00 O ATOM 1176 CB THR A 82 3.359 1.855 -8.259 1.00 0.00 C ATOM 1177 OG1 THR A 82 3.920 2.908 -9.052 1.00 0.00 O ATOM 1178 CG2 THR A 82 1.918 1.609 -8.680 1.00 0.00 C ATOM 0 H THR A 82 5.525 2.205 -6.968 1.00 0.00 H new ATOM 0 HA THR A 82 2.801 3.084 -6.575 1.00 0.00 H new ATOM 0 HB THR A 82 3.928 0.939 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.867 2.667 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.887 1.352 -9.739 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.503 0.788 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.330 2.510 -8.508 1.00 0.00 H new ATOM 1186 N LEU A 83 1.656 1.036 -5.626 1.00 0.00 N ATOM 1187 CA LEU A 83 1.061 -0.038 -4.839 1.00 0.00 C ATOM 1188 C LEU A 83 -0.102 -0.682 -5.588 1.00 0.00 C ATOM 1189 O LEU A 83 -0.682 -0.079 -6.492 1.00 0.00 O ATOM 1190 CB LEU A 83 0.579 0.498 -3.490 1.00 0.00 C ATOM 1191 CG LEU A 83 1.360 1.684 -2.922 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.752 2.141 -1.605 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.825 1.318 -2.736 1.00 0.00 C ATOM 0 H LEU A 83 1.001 1.765 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 83 1.825 -0.797 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.466 0.791 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.614 -0.315 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 83 1.300 2.508 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.320 2.985 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.282 2.444 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.782 1.322 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.365 2.174 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.905 0.478 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.255 1.039 -3.698 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.438 -1.908 -5.205 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.534 -2.634 -5.838 1.00 0.00 C ATOM 1207 C LEU A 84 -2.507 -3.172 -4.794 1.00 0.00 C ATOM 1208 O LEU A 84 -2.274 -4.222 -4.195 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.988 -3.786 -6.683 1.00 0.00 C ATOM 1210 CG LEU A 84 -2.028 -4.744 -7.265 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.877 -4.039 -8.311 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.351 -5.968 -7.863 1.00 0.00 C ATOM 0 H LEU A 84 0.032 -2.421 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.071 -1.939 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.411 -3.364 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.295 -4.363 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.682 -5.073 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.611 -4.736 -8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.392 -3.195 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.237 -3.680 -9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.107 -6.638 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.673 -5.657 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.787 -6.487 -7.088 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.600 -2.445 -4.581 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.610 -2.850 -3.611 1.00 0.00 C ATOM 1226 C VAL A 85 -5.785 -3.538 -4.297 1.00 0.00 C ATOM 1227 O VAL A 85 -6.094 -3.256 -5.455 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.133 -1.644 -2.808 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.992 -0.955 -2.076 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.856 -0.668 -3.723 1.00 0.00 C ATOM 0 H VAL A 85 -3.808 -1.573 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.130 -3.551 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.844 -2.005 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.380 -0.106 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.522 -1.659 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.255 -0.605 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.219 0.178 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.169 -0.311 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.699 -1.170 -4.197 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.438 -4.442 -3.574 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.581 -5.171 -4.112 1.00 0.00 C ATOM 1242 C LEU A 86 -8.878 -4.713 -3.453 1.00 0.00 C ATOM 1243 O LEU A 86 -8.917 -4.455 -2.250 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.394 -6.675 -3.907 1.00 0.00 C ATOM 1245 CG LEU A 86 -6.705 -7.428 -5.046 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -7.571 -7.413 -6.296 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.339 -6.824 -5.334 1.00 0.00 C ATOM 0 H LEU A 86 -6.195 -4.687 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.644 -4.962 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.816 -6.828 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.374 -7.123 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.565 -8.464 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.065 -7.953 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.526 -7.892 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.743 -6.383 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.863 -7.372 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.456 -5.779 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.717 -6.888 -4.441 1.00 0.00 H new