USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 828 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 69 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 76 ASN : amide:sc= -2.56 K(o=-2.6,f=-3.2!) USER MOD Set 2.1: A 42 MET CE :methyl 147:sc= -0.134 (180deg=0) USER MOD Set 2.2: A 56 ASN : amide:sc= -2.2 X(o=-2.3,f=-2.4!) USER MOD Set 3.1: A 13 GLN : amide:sc= -2.03! K(o=-2.2!,f=-0.23) USER MOD Set 3.2: A 115 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 10 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 33:sc= 0.496 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -174:sc= -2.76 (180deg=-2.95) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -4.26! K(o=-4.3!,f=-1.5) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=-0.069) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 41:sc= 0.399 USER MOD Single : A 80 SER OG : rot 150:sc= -0.0647 USER MOD Single : A 82 SER OG : rot -55:sc= -0.161 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 93 THR OG1 : rot -35:sc= 0.568 USER MOD Single : A 94 TYR OH : rot -50:sc= 0.57 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.871 USER MOD Single : A 98 LYS NZ :NH3+ -109:sc= 1.15 (180deg=-0.883) USER MOD Single : A 101 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0508) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 161:sc= 0.322 (180deg=0.17) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -6.668 26.764 -4.251 1.00 0.00 N ATOM 67 CA GLU A 8 -7.095 25.991 -3.091 1.00 0.00 C ATOM 68 C GLU A 8 -6.455 24.606 -3.094 1.00 0.00 C ATOM 69 O GLU A 8 -6.493 23.894 -4.099 1.00 0.00 O ATOM 70 CB GLU A 8 -8.619 25.861 -3.070 1.00 0.00 C ATOM 71 CG GLU A 8 -9.138 24.963 -1.959 1.00 0.00 C ATOM 72 CD GLU A 8 -10.641 25.064 -1.781 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.190 26.166 -1.991 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.267 24.041 -1.433 1.00 0.00 O ATOM 0 HA GLU A 8 -6.770 26.520 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.058 26.852 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.955 25.469 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.870 23.929 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.646 25.228 -1.023 1.00 0.00 H new ATOM 81 N LEU A 9 -5.866 24.230 -1.964 1.00 0.00 N ATOM 82 CA LEU A 9 -5.216 22.931 -1.836 1.00 0.00 C ATOM 83 C LEU A 9 -6.126 21.815 -2.339 1.00 0.00 C ATOM 84 O LEU A 9 -7.347 21.964 -2.372 1.00 0.00 O ATOM 85 CB LEU A 9 -4.833 22.672 -0.377 1.00 0.00 C ATOM 86 CG LEU A 9 -4.519 21.221 -0.013 1.00 0.00 C ATOM 87 CD1 LEU A 9 -3.594 21.161 1.193 1.00 0.00 C ATOM 88 CD2 LEU A 9 -5.802 20.449 0.258 1.00 0.00 C ATOM 0 H LEU A 9 -5.825 24.806 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.313 22.942 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.962 23.282 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.649 23.017 0.259 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.011 20.757 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.382 20.120 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.662 21.677 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.075 21.643 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.559 19.418 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.338 20.913 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.430 20.462 -0.633 1.00 0.00 H new ATOM 100 N GLN A 10 -5.522 20.697 -2.729 1.00 0.00 N ATOM 101 CA GLN A 10 -6.279 19.555 -3.230 1.00 0.00 C ATOM 102 C GLN A 10 -5.440 18.283 -3.183 1.00 0.00 C ATOM 103 O GLN A 10 -4.210 18.337 -3.199 1.00 0.00 O ATOM 104 CB GLN A 10 -6.750 19.817 -4.661 1.00 0.00 C ATOM 105 CG GLN A 10 -7.184 18.560 -5.399 1.00 0.00 C ATOM 106 CD GLN A 10 -8.455 17.960 -4.831 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.428 18.670 -4.572 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.454 16.647 -4.636 1.00 0.00 N ATOM 0 H GLN A 10 -4.512 20.557 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.149 19.418 -2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.583 20.520 -4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.944 20.295 -5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.337 18.796 -6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.385 17.821 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.625 16.098 -4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.282 16.187 -4.257 1.00 0.00 H new ATOM 117 N VAL A 11 -6.112 17.138 -3.124 1.00 0.00 N ATOM 118 CA VAL A 11 -5.428 15.851 -3.075 1.00 0.00 C ATOM 119 C VAL A 11 -5.159 15.318 -4.478 1.00 0.00 C ATOM 120 O VAL A 11 -6.061 15.261 -5.315 1.00 0.00 O ATOM 121 CB VAL A 11 -6.248 14.809 -2.291 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.486 13.497 -2.189 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.600 15.339 -0.910 1.00 0.00 C ATOM 0 H VAL A 11 -7.130 17.075 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.480 16.016 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.176 14.621 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.081 12.773 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.289 13.112 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.541 13.664 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.179 14.590 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.685 15.556 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.189 16.251 -1.009 1.00 0.00 H new ATOM 133 N ILE A 12 -3.913 14.929 -4.728 1.00 0.00 N ATOM 134 CA ILE A 12 -3.526 14.399 -6.030 1.00 0.00 C ATOM 135 C ILE A 12 -3.074 12.947 -5.920 1.00 0.00 C ATOM 136 O ILE A 12 -1.935 12.668 -5.547 1.00 0.00 O ATOM 137 CB ILE A 12 -2.394 15.231 -6.662 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.835 16.685 -6.835 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.981 14.634 -7.999 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.875 16.876 -7.917 1.00 0.00 C ATOM 0 H ILE A 12 -3.155 14.971 -4.047 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.408 14.455 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.532 15.210 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.235 17.050 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.963 17.295 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.180 15.233 -8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.630 13.613 -7.849 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.836 14.628 -8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.141 17.931 -7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.471 16.542 -8.873 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.763 16.293 -7.675 1.00 0.00 H new ATOM 152 N GLN A 13 -3.975 12.027 -6.248 1.00 0.00 N ATOM 153 CA GLN A 13 -3.668 10.602 -6.187 1.00 0.00 C ATOM 154 C GLN A 13 -3.466 10.029 -7.586 1.00 0.00 C ATOM 155 O GLN A 13 -4.415 9.634 -8.264 1.00 0.00 O ATOM 156 CB GLN A 13 -4.789 9.848 -5.470 1.00 0.00 C ATOM 157 CG GLN A 13 -4.782 10.037 -3.962 1.00 0.00 C ATOM 158 CD GLN A 13 -5.322 8.830 -3.220 1.00 0.00 C ATOM 159 OE1 GLN A 13 -4.717 8.356 -2.258 1.00 0.00 O ATOM 160 NE2 GLN A 13 -6.468 8.326 -3.664 1.00 0.00 N ATOM 0 H GLN A 13 -4.923 12.242 -6.558 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.741 10.479 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.749 10.180 -5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.702 8.785 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.763 10.237 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.379 10.913 -3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.936 8.751 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.880 7.514 -3.204 1.00 0.00 H new ATOM 169 N PRO A 14 -2.201 9.981 -8.029 1.00 0.00 N ATOM 170 CA PRO A 14 -1.845 9.457 -9.351 1.00 0.00 C ATOM 171 C PRO A 14 -2.040 7.948 -9.448 1.00 0.00 C ATOM 172 O PRO A 14 -2.616 7.448 -10.414 1.00 0.00 O ATOM 173 CB PRO A 14 -0.363 9.815 -9.488 1.00 0.00 C ATOM 174 CG PRO A 14 0.133 9.914 -8.086 1.00 0.00 C ATOM 175 CD PRO A 14 -1.021 10.434 -7.274 1.00 0.00 C ATOM 0 HA PRO A 14 -2.473 9.876 -10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.179 9.052 -10.047 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.231 10.756 -10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.462 8.942 -7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.989 10.585 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.013 10.031 -6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.993 11.520 -7.186 1.00 0.00 H new ATOM 183 N GLU A 15 -1.556 7.227 -8.441 1.00 0.00 N ATOM 184 CA GLU A 15 -1.677 5.774 -8.415 1.00 0.00 C ATOM 185 C GLU A 15 -3.122 5.353 -8.165 1.00 0.00 C ATOM 186 O GLU A 15 -3.495 5.005 -7.044 1.00 0.00 O ATOM 187 CB GLU A 15 -0.768 5.184 -7.334 1.00 0.00 C ATOM 188 CG GLU A 15 0.659 4.950 -7.800 1.00 0.00 C ATOM 189 CD GLU A 15 1.376 3.897 -6.978 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.971 3.672 -5.818 1.00 0.00 O ATOM 191 OE2 GLU A 15 2.342 3.297 -7.495 1.00 0.00 O ATOM 0 H GLU A 15 -1.077 7.625 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.368 5.392 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.755 5.856 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.190 4.238 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.650 4.645 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.213 5.887 -7.746 1.00 0.00 H new ATOM 198 N LYS A 16 -3.933 5.389 -9.217 1.00 0.00 N ATOM 199 CA LYS A 16 -5.337 5.011 -9.115 1.00 0.00 C ATOM 200 C LYS A 16 -5.509 3.792 -8.213 1.00 0.00 C ATOM 201 O LYS A 16 -6.440 3.728 -7.411 1.00 0.00 O ATOM 202 CB LYS A 16 -5.910 4.716 -10.503 1.00 0.00 C ATOM 203 CG LYS A 16 -5.195 3.591 -11.229 1.00 0.00 C ATOM 204 CD LYS A 16 -5.382 3.691 -12.734 1.00 0.00 C ATOM 205 CE LYS A 16 -4.617 2.598 -13.465 1.00 0.00 C ATOM 206 NZ LYS A 16 -5.299 1.278 -13.360 1.00 0.00 N ATOM 0 H LYS A 16 -3.641 5.677 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.881 5.847 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.965 4.461 -10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.856 5.620 -11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.132 3.621 -10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.574 2.631 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.442 3.618 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.043 4.667 -13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.511 2.869 -14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.611 2.521 -13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.746 0.560 -13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.378 1.007 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.250 1.344 -13.777 1.00 0.00 H new ATOM 220 N SER A 17 -4.603 2.829 -8.350 1.00 0.00 N ATOM 221 CA SER A 17 -4.656 1.611 -7.550 1.00 0.00 C ATOM 222 C SER A 17 -3.260 1.023 -7.362 1.00 0.00 C ATOM 223 O SER A 17 -2.443 1.029 -8.283 1.00 0.00 O ATOM 224 CB SER A 17 -5.571 0.580 -8.212 1.00 0.00 C ATOM 225 OG SER A 17 -5.075 0.198 -9.483 1.00 0.00 O ATOM 0 H SER A 17 -3.824 2.869 -9.007 1.00 0.00 H new ATOM 0 HA SER A 17 -5.059 1.867 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.656 -0.299 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.573 0.995 -8.319 1.00 0.00 H new ATOM 0 HG SER A 17 -5.677 -0.463 -9.884 1.00 0.00 H new ATOM 231 N VAL A 18 -2.995 0.516 -6.163 1.00 0.00 N ATOM 232 CA VAL A 18 -1.699 -0.077 -5.853 1.00 0.00 C ATOM 233 C VAL A 18 -1.748 -1.596 -5.970 1.00 0.00 C ATOM 234 O VAL A 18 -2.808 -2.206 -5.831 1.00 0.00 O ATOM 235 CB VAL A 18 -1.233 0.303 -4.435 1.00 0.00 C ATOM 236 CG1 VAL A 18 -0.003 -0.502 -4.044 1.00 0.00 C ATOM 237 CG2 VAL A 18 -0.954 1.796 -4.348 1.00 0.00 C ATOM 0 H VAL A 18 -3.660 0.504 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.988 0.318 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.032 0.065 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.312 -0.220 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.242 -1.565 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.804 -0.298 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.626 2.047 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.173 2.062 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.863 2.350 -4.582 1.00 0.00 H new ATOM 247 N SER A 19 -0.593 -2.202 -6.227 1.00 0.00 N ATOM 248 CA SER A 19 -0.504 -3.650 -6.367 1.00 0.00 C ATOM 249 C SER A 19 0.674 -4.202 -5.569 1.00 0.00 C ATOM 250 O SER A 19 1.817 -3.789 -5.763 1.00 0.00 O ATOM 251 CB SER A 19 -0.360 -4.034 -7.841 1.00 0.00 C ATOM 252 OG SER A 19 -0.930 -5.307 -8.094 1.00 0.00 O ATOM 0 H SER A 19 0.294 -1.712 -6.342 1.00 0.00 H new ATOM 0 HA SER A 19 -1.423 -4.085 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.846 -3.284 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.695 -4.043 -8.117 1.00 0.00 H new ATOM 0 HG SER A 19 -0.827 -5.529 -9.043 1.00 0.00 H new ATOM 258 N VAL A 20 0.385 -5.137 -4.670 1.00 0.00 N ATOM 259 CA VAL A 20 1.419 -5.747 -3.842 1.00 0.00 C ATOM 260 C VAL A 20 1.099 -7.209 -3.551 1.00 0.00 C ATOM 261 O VAL A 20 0.124 -7.756 -4.066 1.00 0.00 O ATOM 262 CB VAL A 20 1.587 -4.994 -2.509 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.593 -3.863 -2.658 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.246 -4.466 -2.023 1.00 0.00 C ATOM 0 H VAL A 20 -0.557 -5.489 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 20 2.351 -5.687 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 20 1.969 -5.691 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.699 -3.342 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.558 -4.272 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.244 -3.163 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.383 -3.937 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.167 -3.783 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.441 -5.299 -1.875 1.00 0.00 H new ATOM 274 N ALA A 21 1.926 -7.836 -2.721 1.00 0.00 N ATOM 275 CA ALA A 21 1.729 -9.234 -2.359 1.00 0.00 C ATOM 276 C ALA A 21 1.752 -9.417 -0.845 1.00 0.00 C ATOM 277 O ALA A 21 2.506 -8.746 -0.140 1.00 0.00 O ATOM 278 CB ALA A 21 2.792 -10.104 -3.013 1.00 0.00 C ATOM 0 H ALA A 21 2.738 -7.398 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 21 0.749 -9.543 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.632 -11.145 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.727 -10.005 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.779 -9.786 -2.678 1.00 0.00 H new ATOM 284 N ALA A 22 0.921 -10.329 -0.351 1.00 0.00 N ATOM 285 CA ALA A 22 0.847 -10.601 1.079 1.00 0.00 C ATOM 286 C ALA A 22 2.240 -10.692 1.693 1.00 0.00 C ATOM 287 O ALA A 22 2.968 -11.657 1.466 1.00 0.00 O ATOM 288 CB ALA A 22 0.072 -11.886 1.333 1.00 0.00 C ATOM 0 H ALA A 22 0.289 -10.892 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 22 0.322 -9.773 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.025 -12.077 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.939 -11.786 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.574 -12.718 0.839 1.00 0.00 H new ATOM 294 N GLY A 23 2.605 -9.678 2.473 1.00 0.00 N ATOM 295 CA GLY A 23 3.911 -9.663 3.107 1.00 0.00 C ATOM 296 C GLY A 23 4.865 -8.690 2.445 1.00 0.00 C ATOM 297 O GLY A 23 6.052 -8.659 2.768 1.00 0.00 O ATOM 0 H GLY A 23 2.020 -8.868 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.798 -9.398 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.339 -10.665 3.075 1.00 0.00 H new ATOM 301 N GLU A 24 4.346 -7.894 1.515 1.00 0.00 N ATOM 302 CA GLU A 24 5.163 -6.917 0.804 1.00 0.00 C ATOM 303 C GLU A 24 4.906 -5.507 1.331 1.00 0.00 C ATOM 304 O GLU A 24 4.146 -5.317 2.280 1.00 0.00 O ATOM 305 CB GLU A 24 4.874 -6.973 -0.697 1.00 0.00 C ATOM 306 CG GLU A 24 5.345 -8.256 -1.360 1.00 0.00 C ATOM 307 CD GLU A 24 6.856 -8.365 -1.412 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.494 -7.490 -2.034 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.401 -9.326 -0.829 1.00 0.00 O ATOM 0 H GLU A 24 3.365 -7.906 1.237 1.00 0.00 H new ATOM 0 HA GLU A 24 6.211 -7.165 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.801 -6.864 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.356 -6.125 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.941 -9.111 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.946 -8.305 -2.373 1.00 0.00 H new ATOM 316 N SER A 25 5.546 -4.523 0.707 1.00 0.00 N ATOM 317 CA SER A 25 5.391 -3.132 1.115 1.00 0.00 C ATOM 318 C SER A 25 4.652 -2.332 0.047 1.00 0.00 C ATOM 319 O SER A 25 5.150 -2.149 -1.063 1.00 0.00 O ATOM 320 CB SER A 25 6.760 -2.502 1.384 1.00 0.00 C ATOM 321 OG SER A 25 7.585 -2.566 0.234 1.00 0.00 O ATOM 0 H SER A 25 6.176 -4.663 -0.083 1.00 0.00 H new ATOM 0 HA SER A 25 4.802 -3.111 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.632 -1.463 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.245 -3.018 2.213 1.00 0.00 H new ATOM 0 HG SER A 25 7.030 -2.497 -0.571 1.00 0.00 H new ATOM 327 N ALA A 26 3.459 -1.858 0.392 1.00 0.00 N ATOM 328 CA ALA A 26 2.650 -1.077 -0.535 1.00 0.00 C ATOM 329 C ALA A 26 2.882 0.418 -0.340 1.00 0.00 C ATOM 330 O ALA A 26 2.957 0.903 0.790 1.00 0.00 O ATOM 331 CB ALA A 26 1.176 -1.411 -0.362 1.00 0.00 C ATOM 0 H ALA A 26 3.032 -2.002 1.307 1.00 0.00 H new ATOM 0 HA ALA A 26 2.953 -1.337 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.584 -0.820 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.018 -2.471 -0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.868 -1.181 0.658 1.00 0.00 H new ATOM 337 N THR A 27 2.995 1.145 -1.447 1.00 0.00 N ATOM 338 CA THR A 27 3.220 2.584 -1.398 1.00 0.00 C ATOM 339 C THR A 27 1.990 3.349 -1.875 1.00 0.00 C ATOM 340 O THR A 27 1.601 3.255 -3.040 1.00 0.00 O ATOM 341 CB THR A 27 4.430 2.993 -2.258 1.00 0.00 C ATOM 342 OG1 THR A 27 5.565 2.187 -1.921 1.00 0.00 O ATOM 343 CG2 THR A 27 4.767 4.462 -2.053 1.00 0.00 C ATOM 0 H THR A 27 2.934 0.760 -2.390 1.00 0.00 H new ATOM 0 HA THR A 27 3.421 2.837 -0.357 1.00 0.00 H new ATOM 0 HB THR A 27 4.173 2.838 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.330 2.452 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.625 4.728 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.911 5.075 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.007 4.637 -1.004 1.00 0.00 H new ATOM 351 N LEU A 28 1.383 4.107 -0.969 1.00 0.00 N ATOM 352 CA LEU A 28 0.197 4.890 -1.297 1.00 0.00 C ATOM 353 C LEU A 28 0.575 6.319 -1.673 1.00 0.00 C ATOM 354 O LEU A 28 0.629 7.203 -0.818 1.00 0.00 O ATOM 355 CB LEU A 28 -0.774 4.902 -0.115 1.00 0.00 C ATOM 356 CG LEU A 28 -1.175 3.534 0.437 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.835 3.680 1.799 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.104 2.818 -0.533 1.00 0.00 C ATOM 0 H LEU A 28 1.693 4.196 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.289 4.424 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.325 5.480 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.679 5.428 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.273 2.934 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.113 2.696 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.138 4.150 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.727 4.299 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.379 1.846 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.003 3.416 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.596 2.679 -1.487 1.00 0.00 H new ATOM 370 N ARG A 29 0.834 6.539 -2.958 1.00 0.00 N ATOM 371 CA ARG A 29 1.206 7.861 -3.448 1.00 0.00 C ATOM 372 C ARG A 29 0.161 8.900 -3.054 1.00 0.00 C ATOM 373 O ARG A 29 -1.042 8.642 -3.117 1.00 0.00 O ATOM 374 CB ARG A 29 1.370 7.837 -4.968 1.00 0.00 C ATOM 375 CG ARG A 29 2.629 7.123 -5.434 1.00 0.00 C ATOM 376 CD ARG A 29 3.834 8.050 -5.416 1.00 0.00 C ATOM 377 NE ARG A 29 3.733 9.099 -6.427 1.00 0.00 N ATOM 378 CZ ARG A 29 4.770 9.810 -6.855 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.981 9.585 -6.363 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.598 10.748 -7.778 1.00 0.00 N ATOM 0 H ARG A 29 0.793 5.818 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 29 2.157 8.136 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.501 7.350 -5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.385 8.862 -5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.820 6.264 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.479 6.739 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.927 8.505 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.741 7.469 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 29 2.815 9.297 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.118 8.864 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.776 10.133 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.669 10.924 -8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.395 11.293 -8.106 1.00 0.00 H new ATOM 394 N CYS A 30 0.627 10.076 -2.647 1.00 0.00 N ATOM 395 CA CYS A 30 -0.266 11.155 -2.242 1.00 0.00 C ATOM 396 C CYS A 30 0.490 12.476 -2.137 1.00 0.00 C ATOM 397 O CYS A 30 1.547 12.550 -1.511 1.00 0.00 O ATOM 398 CB CYS A 30 -0.926 10.823 -0.902 1.00 0.00 C ATOM 399 SG CYS A 30 -2.096 12.090 -0.316 1.00 0.00 S ATOM 0 H CYS A 30 1.619 10.306 -2.589 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.039 11.259 -3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.452 9.873 -0.994 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.149 10.686 -0.150 1.00 0.00 H new ATOM 404 N ALA A 31 -0.061 13.517 -2.753 1.00 0.00 N ATOM 405 CA ALA A 31 0.560 14.836 -2.726 1.00 0.00 C ATOM 406 C ALA A 31 -0.485 15.937 -2.871 1.00 0.00 C ATOM 407 O ALA A 31 -1.414 15.823 -3.670 1.00 0.00 O ATOM 408 CB ALA A 31 1.605 14.950 -3.826 1.00 0.00 C ATOM 0 H ALA A 31 -0.935 13.473 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 31 1.050 14.960 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.060 15.940 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.374 14.192 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.130 14.800 -4.796 1.00 0.00 H new ATOM 414 N MET A 32 -0.327 17.003 -2.092 1.00 0.00 N ATOM 415 CA MET A 32 -1.257 18.125 -2.135 1.00 0.00 C ATOM 416 C MET A 32 -0.717 19.246 -3.018 1.00 0.00 C ATOM 417 O MET A 32 0.484 19.516 -3.031 1.00 0.00 O ATOM 418 CB MET A 32 -1.518 18.653 -0.723 1.00 0.00 C ATOM 419 CG MET A 32 -1.940 17.574 0.261 1.00 0.00 C ATOM 420 SD MET A 32 -3.383 16.649 -0.299 1.00 0.00 S ATOM 421 CE MET A 32 -3.062 15.046 0.433 1.00 0.00 C ATOM 0 H MET A 32 0.436 17.113 -1.424 1.00 0.00 H new ATOM 0 HA MET A 32 -2.195 17.771 -2.562 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.615 19.138 -0.353 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.295 19.417 -0.767 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.110 16.885 0.417 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.159 18.033 1.225 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.811 14.333 0.090 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.071 14.702 0.136 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.108 15.126 1.519 1.00 0.00 H new ATOM 431 N THR A 33 -1.612 19.895 -3.756 1.00 0.00 N ATOM 432 CA THR A 33 -1.225 20.985 -4.642 1.00 0.00 C ATOM 433 C THR A 33 -0.703 22.179 -3.851 1.00 0.00 C ATOM 434 O THR A 33 -0.249 23.168 -4.427 1.00 0.00 O ATOM 435 CB THR A 33 -2.406 21.442 -5.520 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.281 22.286 -4.763 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.180 20.245 -6.050 1.00 0.00 C ATOM 0 H THR A 33 -2.610 19.684 -3.757 1.00 0.00 H new ATOM 0 HA THR A 33 -0.431 20.603 -5.284 1.00 0.00 H new ATOM 0 HB THR A 33 -2.007 22.000 -6.367 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.028 22.574 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.009 20.592 -6.667 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.518 19.620 -6.650 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.569 19.664 -5.214 1.00 0.00 H new ATOM 445 N SER A 34 -0.770 22.080 -2.527 1.00 0.00 N ATOM 446 CA SER A 34 -0.307 23.154 -1.656 1.00 0.00 C ATOM 447 C SER A 34 -0.386 22.737 -0.190 1.00 0.00 C ATOM 448 O SER A 34 -1.006 21.728 0.148 1.00 0.00 O ATOM 449 CB SER A 34 -1.138 24.418 -1.884 1.00 0.00 C ATOM 450 OG SER A 34 -0.385 25.583 -1.591 1.00 0.00 O ATOM 0 H SER A 34 -1.140 21.267 -2.034 1.00 0.00 H new ATOM 0 HA SER A 34 0.734 23.363 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.478 24.452 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.029 24.390 -1.257 1.00 0.00 H new ATOM 0 HG SER A 34 -0.938 26.377 -1.746 1.00 0.00 H new ATOM 456 N LEU A 35 0.246 23.521 0.676 1.00 0.00 N ATOM 457 CA LEU A 35 0.248 23.235 2.107 1.00 0.00 C ATOM 458 C LEU A 35 -0.802 24.071 2.831 1.00 0.00 C ATOM 459 O LEU A 35 -1.072 23.858 4.013 1.00 0.00 O ATOM 460 CB LEU A 35 1.631 23.508 2.699 1.00 0.00 C ATOM 461 CG LEU A 35 2.798 22.762 2.051 1.00 0.00 C ATOM 462 CD1 LEU A 35 4.110 23.479 2.328 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.857 21.326 2.553 1.00 0.00 C ATOM 0 H LEU A 35 0.764 24.360 0.413 1.00 0.00 H new ATOM 0 HA LEU A 35 0.003 22.182 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.828 24.578 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.607 23.254 3.759 1.00 0.00 H new ATOM 0 HG LEU A 35 2.639 22.743 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.929 22.933 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.066 24.489 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.277 23.530 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.693 20.810 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.992 21.324 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.927 20.815 2.303 1.00 0.00 H new ATOM 475 N ILE A 36 -1.393 25.021 2.113 1.00 0.00 N ATOM 476 CA ILE A 36 -2.416 25.886 2.687 1.00 0.00 C ATOM 477 C ILE A 36 -3.803 25.509 2.179 1.00 0.00 C ATOM 478 O ILE A 36 -4.009 25.254 0.993 1.00 0.00 O ATOM 479 CB ILE A 36 -2.147 27.368 2.361 1.00 0.00 C ATOM 480 CG1 ILE A 36 -0.756 27.776 2.849 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.215 28.250 2.990 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.497 27.427 4.298 1.00 0.00 C ATOM 0 H ILE A 36 -1.181 25.211 1.134 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.378 25.747 3.767 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.185 27.500 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.005 27.290 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.634 28.851 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.012 29.294 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.193 27.972 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.206 28.117 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.508 27.745 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.226 27.934 4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.587 26.349 4.434 1.00 0.00 H new ATOM 494 N PRO A 37 -4.780 25.474 3.098 1.00 0.00 N ATOM 495 CA PRO A 37 -4.547 25.775 4.513 1.00 0.00 C ATOM 496 C PRO A 37 -3.721 24.697 5.207 1.00 0.00 C ATOM 497 O PRO A 37 -3.799 23.520 4.857 1.00 0.00 O ATOM 498 CB PRO A 37 -5.959 25.830 5.102 1.00 0.00 C ATOM 499 CG PRO A 37 -6.779 24.975 4.198 1.00 0.00 C ATOM 500 CD PRO A 37 -6.187 25.137 2.825 1.00 0.00 C ATOM 0 HA PRO A 37 -3.980 26.696 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.976 25.455 6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.337 26.852 5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.750 23.932 4.515 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.824 25.284 4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.275 24.222 2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.687 25.925 2.262 1.00 0.00 H new ATOM 508 N VAL A 38 -2.931 25.107 6.195 1.00 0.00 N ATOM 509 CA VAL A 38 -2.092 24.175 6.939 1.00 0.00 C ATOM 510 C VAL A 38 -2.922 23.043 7.534 1.00 0.00 C ATOM 511 O VAL A 38 -4.079 23.236 7.905 1.00 0.00 O ATOM 512 CB VAL A 38 -1.330 24.888 8.072 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.289 25.325 9.169 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.242 23.985 8.632 1.00 0.00 C ATOM 0 H VAL A 38 -2.855 26.078 6.498 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.373 23.762 6.231 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.855 25.779 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.732 25.827 9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.028 26.011 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.795 24.451 9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.286 24.505 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.692 23.074 9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.461 23.728 7.840 1.00 0.00 H new ATOM 524 N GLY A 39 -2.322 21.860 7.623 1.00 0.00 N ATOM 525 CA GLY A 39 -3.021 20.714 8.175 1.00 0.00 C ATOM 526 C GLY A 39 -2.247 19.423 7.997 1.00 0.00 C ATOM 527 O GLY A 39 -1.535 19.232 7.011 1.00 0.00 O ATOM 0 H GLY A 39 -1.365 21.675 7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.205 20.881 9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.995 20.620 7.694 1.00 0.00 H new ATOM 531 N PRO A 40 -2.382 18.509 8.969 1.00 0.00 N ATOM 532 CA PRO A 40 -1.696 17.213 8.938 1.00 0.00 C ATOM 533 C PRO A 40 -2.250 16.290 7.858 1.00 0.00 C ATOM 534 O PRO A 40 -3.068 16.702 7.036 1.00 0.00 O ATOM 535 CB PRO A 40 -1.969 16.634 10.328 1.00 0.00 C ATOM 536 CG PRO A 40 -3.232 17.289 10.770 1.00 0.00 C ATOM 537 CD PRO A 40 -3.214 18.669 10.173 1.00 0.00 C ATOM 0 HA PRO A 40 -0.636 17.318 8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.077 15.550 10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.150 16.849 11.014 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.102 16.728 10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.288 17.335 11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.218 19.013 9.925 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.788 19.399 10.861 1.00 0.00 H new ATOM 545 N ILE A 41 -1.799 15.040 7.867 1.00 0.00 N ATOM 546 CA ILE A 41 -2.251 14.058 6.889 1.00 0.00 C ATOM 547 C ILE A 41 -2.645 12.749 7.566 1.00 0.00 C ATOM 548 O ILE A 41 -1.887 12.200 8.365 1.00 0.00 O ATOM 549 CB ILE A 41 -1.165 13.772 5.835 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.759 15.065 5.126 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.661 12.743 4.830 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.829 15.613 4.207 1.00 0.00 C ATOM 0 H ILE A 41 -1.121 14.683 8.541 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.123 14.484 6.393 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.288 13.366 6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.514 15.818 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.147 14.884 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.883 12.551 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.905 11.816 5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.551 13.124 4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.472 16.530 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.058 14.877 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.729 15.827 4.783 1.00 0.00 H new ATOM 564 N MET A 42 -3.834 12.255 7.238 1.00 0.00 N ATOM 565 CA MET A 42 -4.328 11.009 7.812 1.00 0.00 C ATOM 566 C MET A 42 -4.920 10.109 6.732 1.00 0.00 C ATOM 567 O MET A 42 -5.751 10.545 5.936 1.00 0.00 O ATOM 568 CB MET A 42 -5.380 11.297 8.885 1.00 0.00 C ATOM 569 CG MET A 42 -4.797 11.851 10.175 1.00 0.00 C ATOM 570 SD MET A 42 -6.060 12.499 11.286 1.00 0.00 S ATOM 571 CE MET A 42 -5.266 13.997 11.865 1.00 0.00 C ATOM 0 H MET A 42 -4.473 12.698 6.578 1.00 0.00 H new ATOM 0 HA MET A 42 -3.485 10.491 8.270 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.106 12.008 8.489 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.922 10.378 9.106 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.239 11.065 10.684 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.087 12.643 9.937 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.021 14.763 12.045 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.731 13.790 12.792 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.563 14.351 11.111 1.00 0.00 H new ATOM 581 N TRP A 43 -4.486 8.854 6.710 1.00 0.00 N ATOM 582 CA TRP A 43 -4.973 7.894 5.726 1.00 0.00 C ATOM 583 C TRP A 43 -6.134 7.082 6.288 1.00 0.00 C ATOM 584 O TRP A 43 -6.127 6.696 7.457 1.00 0.00 O ATOM 585 CB TRP A 43 -3.843 6.960 5.292 1.00 0.00 C ATOM 586 CG TRP A 43 -2.888 7.591 4.325 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.774 8.321 4.631 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.963 7.551 2.896 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.153 8.736 3.478 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.862 8.277 2.400 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.852 6.972 1.987 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.630 8.437 1.037 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.621 7.132 0.634 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.517 7.859 0.169 1.00 0.00 C ATOM 0 H TRP A 43 -3.798 8.477 7.362 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.329 8.449 4.858 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.292 6.633 6.174 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.273 6.068 4.837 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.432 8.539 5.632 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.301 9.296 3.432 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.705 6.409 2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.780 8.997 0.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.303 6.689 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.363 7.965 -0.895 1.00 0.00 H new ATOM 605 N PHE A 44 -7.131 6.824 5.448 1.00 0.00 N ATOM 606 CA PHE A 44 -8.301 6.057 5.862 1.00 0.00 C ATOM 607 C PHE A 44 -8.802 5.173 4.723 1.00 0.00 C ATOM 608 O PHE A 44 -8.964 5.631 3.592 1.00 0.00 O ATOM 609 CB PHE A 44 -9.417 6.997 6.321 1.00 0.00 C ATOM 610 CG PHE A 44 -9.048 7.826 7.518 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.270 7.353 8.801 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.478 9.079 7.360 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.931 8.113 9.904 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.137 9.844 8.459 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.365 9.361 9.733 1.00 0.00 C ATOM 0 H PHE A 44 -7.152 7.135 4.477 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.009 5.417 6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.684 7.660 5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.303 6.408 6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.713 6.378 8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.298 9.462 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.108 7.732 10.899 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.693 10.819 8.322 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.101 9.958 10.593 1.00 0.00 H new ATOM 625 N ARG A 45 -9.044 3.903 5.031 1.00 0.00 N ATOM 626 CA ARG A 45 -9.524 2.953 4.035 1.00 0.00 C ATOM 627 C ARG A 45 -10.971 2.556 4.315 1.00 0.00 C ATOM 628 O ARG A 45 -11.261 1.887 5.306 1.00 0.00 O ATOM 629 CB ARG A 45 -8.637 1.707 4.017 1.00 0.00 C ATOM 630 CG ARG A 45 -9.005 0.712 2.929 1.00 0.00 C ATOM 631 CD ARG A 45 -8.685 -0.714 3.346 1.00 0.00 C ATOM 632 NE ARG A 45 -9.269 -1.049 4.643 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.521 -1.465 4.800 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.316 -1.597 3.747 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.979 -1.750 6.012 1.00 0.00 N ATOM 0 H ARG A 45 -8.915 3.508 5.963 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.480 3.436 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.599 2.012 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.700 1.212 4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.068 0.796 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.464 0.955 2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.059 -1.405 2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.604 -0.845 3.391 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.683 -0.959 5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.967 -1.379 2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.277 -1.917 3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.370 -1.650 6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.940 -2.069 6.132 1.00 0.00 H new ATOM 649 N GLY A 46 -11.875 2.975 3.435 1.00 0.00 N ATOM 650 CA GLY A 46 -13.280 2.654 3.606 1.00 0.00 C ATOM 651 C GLY A 46 -14.138 3.890 3.798 1.00 0.00 C ATOM 652 O GLY A 46 -15.146 3.851 4.502 1.00 0.00 O ATOM 0 H GLY A 46 -11.660 3.531 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.632 2.103 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.397 1.997 4.468 1.00 0.00 H new ATOM 656 N ALA A 47 -13.735 4.990 3.171 1.00 0.00 N ATOM 657 CA ALA A 47 -14.474 6.243 3.275 1.00 0.00 C ATOM 658 C ALA A 47 -15.978 6.000 3.212 1.00 0.00 C ATOM 659 O ALA A 47 -16.447 5.142 2.466 1.00 0.00 O ATOM 660 CB ALA A 47 -14.046 7.202 2.175 1.00 0.00 C ATOM 0 H ALA A 47 -12.901 5.039 2.586 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.245 6.692 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.606 8.133 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.980 7.410 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.245 6.752 1.202 1.00 0.00 H new ATOM 690 N ARG A 51 -14.711 4.129 7.462 1.00 0.00 N ATOM 691 CA ARG A 51 -13.306 4.048 7.079 1.00 0.00 C ATOM 692 C ARG A 51 -12.449 3.582 8.252 1.00 0.00 C ATOM 693 O ARG A 51 -12.873 3.642 9.405 1.00 0.00 O ATOM 694 CB ARG A 51 -12.812 5.407 6.580 1.00 0.00 C ATOM 695 CG ARG A 51 -12.672 6.445 7.682 1.00 0.00 C ATOM 696 CD ARG A 51 -13.988 7.160 7.944 1.00 0.00 C ATOM 697 NE ARG A 51 -13.783 8.498 8.494 1.00 0.00 N ATOM 698 CZ ARG A 51 -14.700 9.150 9.200 1.00 0.00 C ATOM 699 NH1 ARG A 51 -15.878 8.591 9.441 1.00 0.00 N ATOM 700 NH2 ARG A 51 -14.439 10.365 9.667 1.00 0.00 N ATOM 0 HA ARG A 51 -13.216 3.319 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.847 5.276 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.504 5.781 5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.331 5.962 8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.910 7.173 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.553 7.233 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.589 6.571 8.637 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.887 8.956 8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.082 7.658 9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.580 9.094 9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.534 10.798 9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.144 10.865 10.209 1.00 0.00 H new ATOM 714 N GLU A 52 -11.241 3.116 7.947 1.00 0.00 N ATOM 715 CA GLU A 52 -10.325 2.639 8.977 1.00 0.00 C ATOM 716 C GLU A 52 -9.018 3.426 8.949 1.00 0.00 C ATOM 717 O GLU A 52 -8.365 3.530 7.910 1.00 0.00 O ATOM 718 CB GLU A 52 -10.040 1.148 8.785 1.00 0.00 C ATOM 719 CG GLU A 52 -8.945 0.616 9.694 1.00 0.00 C ATOM 720 CD GLU A 52 -9.237 0.859 11.162 1.00 0.00 C ATOM 721 OE1 GLU A 52 -10.428 0.995 11.515 1.00 0.00 O ATOM 722 OE2 GLU A 52 -8.276 0.914 11.958 1.00 0.00 O ATOM 0 H GLU A 52 -10.875 3.059 6.997 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.798 2.789 9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.956 0.585 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.757 0.971 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.824 -0.454 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.999 1.089 9.432 1.00 0.00 H new ATOM 729 N LEU A 53 -8.643 3.978 10.098 1.00 0.00 N ATOM 730 CA LEU A 53 -7.415 4.757 10.207 1.00 0.00 C ATOM 731 C LEU A 53 -6.200 3.913 9.831 1.00 0.00 C ATOM 732 O LEU A 53 -5.929 2.886 10.454 1.00 0.00 O ATOM 733 CB LEU A 53 -7.254 5.296 11.630 1.00 0.00 C ATOM 734 CG LEU A 53 -6.014 6.152 11.887 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.070 7.433 11.068 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.883 6.470 13.369 1.00 0.00 C ATOM 0 H LEU A 53 -9.172 3.900 10.967 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.482 5.595 9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.136 5.887 11.875 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.236 4.450 12.318 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.135 5.586 11.578 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.179 8.029 11.264 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.115 7.185 10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.957 8.003 11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.995 7.080 13.533 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.765 7.016 13.703 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.795 5.542 13.934 1.00 0.00 H new ATOM 748 N ILE A 54 -5.473 4.355 8.811 1.00 0.00 N ATOM 749 CA ILE A 54 -4.286 3.643 8.354 1.00 0.00 C ATOM 750 C ILE A 54 -3.021 4.233 8.968 1.00 0.00 C ATOM 751 O ILE A 54 -2.139 3.503 9.421 1.00 0.00 O ATOM 752 CB ILE A 54 -4.164 3.678 6.819 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.354 2.966 6.174 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.855 3.041 6.378 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.723 1.667 6.857 1.00 0.00 C ATOM 0 H ILE A 54 -5.685 5.203 8.285 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.395 2.608 8.677 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.168 4.718 6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.217 3.632 6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.123 2.764 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.783 3.073 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.019 3.589 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.824 2.004 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.575 1.217 6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.875 0.983 6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.986 1.864 7.896 1.00 0.00 H new ATOM 767 N TYR A 55 -2.939 5.559 8.981 1.00 0.00 N ATOM 768 CA TYR A 55 -1.782 6.248 9.538 1.00 0.00 C ATOM 769 C TYR A 55 -2.159 7.647 10.016 1.00 0.00 C ATOM 770 O TYR A 55 -3.236 8.152 9.704 1.00 0.00 O ATOM 771 CB TYR A 55 -0.664 6.336 8.497 1.00 0.00 C ATOM 772 CG TYR A 55 0.522 7.157 8.950 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.335 6.724 9.991 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.829 8.367 8.339 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.419 7.471 10.409 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.912 9.119 8.750 1.00 0.00 C ATOM 777 CZ TYR A 55 2.704 8.668 9.785 1.00 0.00 C ATOM 778 OH TYR A 55 3.783 9.415 10.198 1.00 0.00 O ATOM 0 H TYR A 55 -3.661 6.178 8.612 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.427 5.675 10.394 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.326 5.329 8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.066 6.768 7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.115 5.787 10.481 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.210 8.725 7.529 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.040 7.120 11.220 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.138 10.056 8.263 1.00 0.00 H new ATOM 0 HH TYR A 55 3.845 10.228 9.655 1.00 0.00 H new ATOM 788 N ASN A 56 -1.261 8.267 10.776 1.00 0.00 N ATOM 789 CA ASN A 56 -1.498 9.608 11.298 1.00 0.00 C ATOM 790 C ASN A 56 -0.187 10.374 11.444 1.00 0.00 C ATOM 791 O ASN A 56 0.745 9.908 12.098 1.00 0.00 O ATOM 792 CB ASN A 56 -2.212 9.533 12.650 1.00 0.00 C ATOM 793 CG ASN A 56 -2.390 10.898 13.286 1.00 0.00 C ATOM 794 OD1 ASN A 56 -2.325 11.039 14.507 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.616 11.911 12.458 1.00 0.00 N ATOM 0 H ASN A 56 -0.364 7.862 11.044 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.132 10.140 10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.188 9.067 12.517 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.642 8.893 13.324 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.744 12.853 12.828 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.662 11.747 11.452 1.00 0.00 H new ATOM 802 N GLN A 57 -0.125 11.552 10.831 1.00 0.00 N ATOM 803 CA GLN A 57 1.072 12.382 10.893 1.00 0.00 C ATOM 804 C GLN A 57 1.158 13.114 12.229 1.00 0.00 C ATOM 805 O GLN A 57 2.195 13.097 12.892 1.00 0.00 O ATOM 806 CB GLN A 57 1.077 13.392 9.744 1.00 0.00 C ATOM 807 CG GLN A 57 2.419 14.080 9.545 1.00 0.00 C ATOM 808 CD GLN A 57 2.366 15.167 8.490 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.391 15.915 8.401 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.417 15.262 7.684 1.00 0.00 N ATOM 0 H GLN A 57 -0.889 11.952 10.286 1.00 0.00 H new ATOM 0 HA GLN A 57 1.941 11.731 10.799 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.799 12.882 8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.315 14.148 9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.745 14.512 10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.165 13.338 9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.203 14.621 7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.438 15.976 6.956 1.00 0.00 H new ATOM 819 N LYS A 58 0.062 13.756 12.618 1.00 0.00 N ATOM 820 CA LYS A 58 0.012 14.493 13.875 1.00 0.00 C ATOM 821 C LYS A 58 0.746 13.737 14.979 1.00 0.00 C ATOM 822 O LYS A 58 1.727 14.231 15.534 1.00 0.00 O ATOM 823 CB LYS A 58 -1.441 14.737 14.290 1.00 0.00 C ATOM 824 CG LYS A 58 -1.582 15.390 15.654 1.00 0.00 C ATOM 825 CD LYS A 58 -1.012 16.798 15.660 1.00 0.00 C ATOM 826 CE LYS A 58 -2.035 17.816 15.181 1.00 0.00 C ATOM 827 NZ LYS A 58 -1.488 19.201 15.194 1.00 0.00 N ATOM 0 H LYS A 58 -0.804 13.781 12.080 1.00 0.00 H new ATOM 0 HA LYS A 58 0.507 15.452 13.724 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.922 15.368 13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.973 13.786 14.295 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.634 15.421 15.936 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.069 14.786 16.402 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.686 17.055 16.668 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.131 16.838 15.020 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.355 17.561 14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.919 17.769 15.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.216 19.865 14.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.206 19.454 16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.659 19.253 14.568 1.00 0.00 H new ATOM 841 N GLU A 59 0.265 12.537 15.289 1.00 0.00 N ATOM 842 CA GLU A 59 0.878 11.715 16.326 1.00 0.00 C ATOM 843 C GLU A 59 0.690 10.231 16.024 1.00 0.00 C ATOM 844 O GLU A 59 0.000 9.861 15.075 1.00 0.00 O ATOM 845 CB GLU A 59 0.278 12.048 17.693 1.00 0.00 C ATOM 846 CG GLU A 59 -1.241 12.001 17.720 1.00 0.00 C ATOM 847 CD GLU A 59 -1.809 12.264 19.101 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.263 13.134 19.811 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.799 11.600 19.471 1.00 0.00 O ATOM 0 H GLU A 59 -0.546 12.113 14.838 1.00 0.00 H new ATOM 0 HA GLU A 59 1.946 11.933 16.343 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.668 11.348 18.432 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.608 13.043 17.992 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.636 12.739 17.022 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.577 11.024 17.373 1.00 0.00 H new ATOM 856 N GLY A 60 1.310 9.384 16.840 1.00 0.00 N ATOM 857 CA GLY A 60 1.201 7.950 16.644 1.00 0.00 C ATOM 858 C GLY A 60 2.416 7.364 15.955 1.00 0.00 C ATOM 859 O GLY A 60 2.674 7.651 14.785 1.00 0.00 O ATOM 0 H GLY A 60 1.886 9.665 17.633 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.066 7.464 17.610 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.312 7.734 16.051 1.00 0.00 H new ATOM 863 N HIS A 61 3.168 6.542 16.680 1.00 0.00 N ATOM 864 CA HIS A 61 4.365 5.916 16.131 1.00 0.00 C ATOM 865 C HIS A 61 4.016 4.619 15.407 1.00 0.00 C ATOM 866 O HIS A 61 3.801 3.583 16.036 1.00 0.00 O ATOM 867 CB HIS A 61 5.376 5.636 17.243 1.00 0.00 C ATOM 868 CG HIS A 61 6.393 4.597 16.881 1.00 0.00 C ATOM 869 ND1 HIS A 61 6.460 3.364 17.495 1.00 0.00 N ATOM 870 CD2 HIS A 61 7.386 4.613 15.961 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.452 2.667 16.969 1.00 0.00 C ATOM 872 NE2 HIS A 61 8.029 3.402 16.036 1.00 0.00 N ATOM 0 H HIS A 61 2.969 6.294 17.649 1.00 0.00 H new ATOM 0 HA HIS A 61 4.808 6.605 15.412 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.890 6.563 17.497 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.841 5.313 18.136 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.627 5.426 15.293 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.742 1.666 17.254 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.824 3.116 15.464 1.00 0.00 H new ATOM 881 N PHE A 62 3.959 4.684 14.081 1.00 0.00 N ATOM 882 CA PHE A 62 3.634 3.516 13.271 1.00 0.00 C ATOM 883 C PHE A 62 4.891 2.924 12.641 1.00 0.00 C ATOM 884 O PHE A 62 5.519 3.521 11.767 1.00 0.00 O ATOM 885 CB PHE A 62 2.630 3.890 12.178 1.00 0.00 C ATOM 886 CG PHE A 62 1.307 4.355 12.714 1.00 0.00 C ATOM 887 CD1 PHE A 62 1.147 5.653 13.173 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.222 3.495 12.759 1.00 0.00 C ATOM 889 CE1 PHE A 62 -0.070 6.084 13.666 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.998 3.920 13.250 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.143 5.216 13.706 1.00 0.00 C ATOM 0 H PHE A 62 4.134 5.534 13.544 1.00 0.00 H new ATOM 0 HA PHE A 62 3.188 2.766 13.924 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.058 4.676 11.556 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.468 3.026 11.533 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.983 6.336 13.145 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.331 2.480 12.406 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.182 7.098 14.019 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.837 3.240 13.277 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.094 5.550 14.093 1.00 0.00 H new ATOM 901 N PRO A 63 5.269 1.720 13.096 1.00 0.00 N ATOM 902 CA PRO A 63 6.454 1.019 12.592 1.00 0.00 C ATOM 903 C PRO A 63 6.272 0.530 11.159 1.00 0.00 C ATOM 904 O PRO A 63 7.188 0.622 10.341 1.00 0.00 O ATOM 905 CB PRO A 63 6.598 -0.168 13.548 1.00 0.00 C ATOM 906 CG PRO A 63 5.223 -0.403 14.069 1.00 0.00 C ATOM 907 CD PRO A 63 4.568 0.949 14.137 1.00 0.00 C ATOM 0 HA PRO A 63 7.329 1.668 12.562 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.982 -1.048 13.032 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.295 0.056 14.356 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.667 -1.073 13.414 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.253 -0.872 15.053 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.498 0.888 13.939 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.685 1.403 15.121 1.00 0.00 H new ATOM 915 N ARG A 64 5.086 0.010 10.862 1.00 0.00 N ATOM 916 CA ARG A 64 4.785 -0.495 9.528 1.00 0.00 C ATOM 917 C ARG A 64 4.850 0.627 8.495 1.00 0.00 C ATOM 918 O ARG A 64 5.382 0.446 7.400 1.00 0.00 O ATOM 919 CB ARG A 64 3.400 -1.144 9.505 1.00 0.00 C ATOM 920 CG ARG A 64 3.368 -2.532 10.124 1.00 0.00 C ATOM 921 CD ARG A 64 1.943 -3.040 10.277 1.00 0.00 C ATOM 922 NE ARG A 64 1.206 -2.993 9.017 1.00 0.00 N ATOM 923 CZ ARG A 64 0.101 -3.693 8.784 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.392 -4.489 9.722 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.512 -3.596 7.612 1.00 0.00 N ATOM 0 H ARG A 64 4.317 -0.073 11.527 1.00 0.00 H new ATOM 0 HA ARG A 64 5.534 -1.245 9.273 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.698 -0.502 10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.055 -1.207 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.937 -3.223 9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.854 -2.508 11.099 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.962 -4.065 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.423 -2.440 11.024 1.00 0.00 H new ATOM 0 HE ARG A 64 1.559 -2.389 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.077 -4.565 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.240 -5.026 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.135 -2.984 6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.360 -4.134 7.434 1.00 0.00 H new ATOM 939 N VAL A 65 4.304 1.785 8.852 1.00 0.00 N ATOM 940 CA VAL A 65 4.301 2.936 7.957 1.00 0.00 C ATOM 941 C VAL A 65 5.668 3.609 7.922 1.00 0.00 C ATOM 942 O VAL A 65 6.123 4.170 8.919 1.00 0.00 O ATOM 943 CB VAL A 65 3.242 3.972 8.379 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.230 5.148 7.415 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.867 3.325 8.461 1.00 0.00 C ATOM 0 H VAL A 65 3.858 1.951 9.754 1.00 0.00 H new ATOM 0 HA VAL A 65 4.058 2.563 6.962 1.00 0.00 H new ATOM 0 HB VAL A 65 3.502 4.348 9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.476 5.869 7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.210 5.626 7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.996 4.793 6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.131 4.071 8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.597 2.920 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.887 2.520 9.196 1.00 0.00 H new ATOM 955 N THR A 66 6.321 3.550 6.765 1.00 0.00 N ATOM 956 CA THR A 66 7.637 4.153 6.599 1.00 0.00 C ATOM 957 C THR A 66 7.573 5.370 5.683 1.00 0.00 C ATOM 958 O THR A 66 7.412 5.240 4.469 1.00 0.00 O ATOM 959 CB THR A 66 8.649 3.144 6.022 1.00 0.00 C ATOM 960 OG1 THR A 66 8.783 2.026 6.906 1.00 0.00 O ATOM 961 CG2 THR A 66 10.006 3.798 5.813 1.00 0.00 C ATOM 0 H THR A 66 5.959 3.090 5.929 1.00 0.00 H new ATOM 0 HA THR A 66 7.969 4.464 7.590 1.00 0.00 H new ATOM 0 HB THR A 66 8.277 2.801 5.057 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.426 1.388 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.704 3.066 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.905 4.631 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.383 4.166 6.767 1.00 0.00 H new ATOM 969 N THR A 67 7.700 6.555 6.272 1.00 0.00 N ATOM 970 CA THR A 67 7.656 7.796 5.510 1.00 0.00 C ATOM 971 C THR A 67 8.619 7.751 4.329 1.00 0.00 C ATOM 972 O THR A 67 9.836 7.788 4.505 1.00 0.00 O ATOM 973 CB THR A 67 8.002 9.011 6.392 1.00 0.00 C ATOM 974 OG1 THR A 67 9.234 8.778 7.085 1.00 0.00 O ATOM 975 CG2 THR A 67 6.893 9.283 7.397 1.00 0.00 C ATOM 0 H THR A 67 7.834 6.681 7.275 1.00 0.00 H new ATOM 0 HA THR A 67 6.636 7.903 5.141 1.00 0.00 H new ATOM 0 HB THR A 67 8.108 9.883 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.873 8.348 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.160 10.145 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.963 9.488 6.866 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.760 8.411 8.037 1.00 0.00 H new ATOM 983 N VAL A 68 8.065 7.670 3.123 1.00 0.00 N ATOM 984 CA VAL A 68 8.875 7.621 1.911 1.00 0.00 C ATOM 985 C VAL A 68 9.792 8.835 1.814 1.00 0.00 C ATOM 986 O VAL A 68 10.991 8.702 1.570 1.00 0.00 O ATOM 987 CB VAL A 68 7.994 7.555 0.650 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.852 7.613 -0.605 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.138 6.297 0.663 1.00 0.00 C ATOM 0 H VAL A 68 7.059 7.637 2.959 1.00 0.00 H new ATOM 0 HA VAL A 68 9.480 6.716 1.970 1.00 0.00 H new ATOM 0 HB VAL A 68 7.329 8.419 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.212 7.565 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.417 8.545 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.543 6.770 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.522 6.267 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.783 5.419 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.495 6.303 1.543 1.00 0.00 H new ATOM 999 N SER A 69 9.220 10.019 2.007 1.00 0.00 N ATOM 1000 CA SER A 69 9.986 11.258 1.938 1.00 0.00 C ATOM 1001 C SER A 69 10.115 11.895 3.319 1.00 0.00 C ATOM 1002 O SER A 69 9.266 11.696 4.187 1.00 0.00 O ATOM 1003 CB SER A 69 9.321 12.240 0.971 1.00 0.00 C ATOM 1004 OG SER A 69 10.113 13.403 0.800 1.00 0.00 O ATOM 0 H SER A 69 8.229 10.147 2.212 1.00 0.00 H new ATOM 0 HA SER A 69 10.985 11.019 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.166 11.757 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.338 12.518 1.350 1.00 0.00 H new ATOM 0 HG SER A 69 9.667 14.014 0.176 1.00 0.00 H new ATOM 1010 N GLU A 70 11.184 12.661 3.512 1.00 0.00 N ATOM 1011 CA GLU A 70 11.426 13.326 4.788 1.00 0.00 C ATOM 1012 C GLU A 70 10.419 14.450 5.014 1.00 0.00 C ATOM 1013 O GLU A 70 10.566 15.548 4.476 1.00 0.00 O ATOM 1014 CB GLU A 70 12.849 13.884 4.835 1.00 0.00 C ATOM 1015 CG GLU A 70 13.223 14.485 6.180 1.00 0.00 C ATOM 1016 CD GLU A 70 14.714 14.433 6.448 1.00 0.00 C ATOM 1017 OE1 GLU A 70 15.360 13.455 6.017 1.00 0.00 O ATOM 1018 OE2 GLU A 70 15.235 15.369 7.090 1.00 0.00 O ATOM 0 H GLU A 70 11.896 12.837 2.803 1.00 0.00 H new ATOM 0 HA GLU A 70 11.306 12.589 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.551 13.086 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.957 14.646 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.887 15.521 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.697 13.951 6.971 1.00 0.00 H new ATOM 1025 N LEU A 71 9.396 14.167 5.813 1.00 0.00 N ATOM 1026 CA LEU A 71 8.363 15.153 6.111 1.00 0.00 C ATOM 1027 C LEU A 71 8.957 16.368 6.817 1.00 0.00 C ATOM 1028 O LEU A 71 8.621 17.510 6.502 1.00 0.00 O ATOM 1029 CB LEU A 71 7.269 14.529 6.979 1.00 0.00 C ATOM 1030 CG LEU A 71 6.552 13.316 6.385 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.634 12.680 7.418 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.766 13.716 5.145 1.00 0.00 C ATOM 0 H LEU A 71 9.260 13.263 6.266 1.00 0.00 H new ATOM 0 HA LEU A 71 7.926 15.481 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.712 14.234 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.525 15.295 7.197 1.00 0.00 H new ATOM 0 HG LEU A 71 7.302 12.581 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.132 11.818 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.222 12.357 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.889 13.408 7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.262 12.840 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.025 14.470 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.447 14.125 4.399 1.00 0.00 H new ATOM 1118 N ASN A 76 7.136 20.131 2.990 1.00 0.00 N ATOM 1119 CA ASN A 76 7.126 18.784 2.432 1.00 0.00 C ATOM 1120 C ASN A 76 5.728 18.402 1.956 1.00 0.00 C ATOM 1121 O ASN A 76 4.921 17.876 2.724 1.00 0.00 O ATOM 1122 CB ASN A 76 7.616 17.775 3.472 1.00 0.00 C ATOM 1123 CG ASN A 76 8.306 16.581 2.840 1.00 0.00 C ATOM 1124 OD1 ASN A 76 9.502 16.623 2.551 1.00 0.00 O ATOM 1125 ND2 ASN A 76 7.553 15.510 2.623 1.00 0.00 N ATOM 0 HA ASN A 76 7.799 18.768 1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.305 18.269 4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.770 17.430 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.962 14.676 2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.566 15.520 2.879 1.00 0.00 H new ATOM 1132 N LEU A 77 5.447 18.669 0.686 1.00 0.00 N ATOM 1133 CA LEU A 77 4.146 18.353 0.106 1.00 0.00 C ATOM 1134 C LEU A 77 3.948 16.844 0.004 1.00 0.00 C ATOM 1135 O LEU A 77 2.914 16.315 0.414 1.00 0.00 O ATOM 1136 CB LEU A 77 4.014 18.991 -1.278 1.00 0.00 C ATOM 1137 CG LEU A 77 3.442 20.409 -1.311 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.471 20.963 -2.727 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.024 20.425 -0.759 1.00 0.00 C ATOM 0 H LEU A 77 6.103 19.104 0.037 1.00 0.00 H new ATOM 0 HA LEU A 77 3.375 18.759 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.999 19.007 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.381 18.351 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 77 4.063 21.046 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.060 21.973 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.500 20.988 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.874 20.326 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.633 21.442 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.391 19.774 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.031 20.070 0.272 1.00 0.00 H new ATOM 1151 N ASP A 78 4.944 16.157 -0.542 1.00 0.00 N ATOM 1152 CA ASP A 78 4.881 14.709 -0.695 1.00 0.00 C ATOM 1153 C ASP A 78 4.399 14.047 0.592 1.00 0.00 C ATOM 1154 O ASP A 78 4.983 14.241 1.658 1.00 0.00 O ATOM 1155 CB ASP A 78 6.252 14.155 -1.085 1.00 0.00 C ATOM 1156 CG ASP A 78 6.253 12.644 -1.209 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.727 11.974 -0.296 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.780 12.131 -2.219 1.00 0.00 O ATOM 0 H ASP A 78 5.806 16.580 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 78 4.168 14.483 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.562 14.594 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.988 14.456 -0.339 1.00 0.00 H new ATOM 1163 N PHE A 79 3.329 13.266 0.486 1.00 0.00 N ATOM 1164 CA PHE A 79 2.767 12.578 1.641 1.00 0.00 C ATOM 1165 C PHE A 79 2.575 11.092 1.349 1.00 0.00 C ATOM 1166 O PHE A 79 1.613 10.477 1.810 1.00 0.00 O ATOM 1167 CB PHE A 79 1.430 13.208 2.037 1.00 0.00 C ATOM 1168 CG PHE A 79 1.561 14.606 2.572 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.317 14.860 3.705 1.00 0.00 C ATOM 1170 CD2 PHE A 79 0.929 15.665 1.941 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.439 16.145 4.199 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.047 16.952 2.431 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.804 17.192 3.561 1.00 0.00 C ATOM 0 H PHE A 79 2.834 13.094 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 79 3.468 12.680 2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.772 13.220 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.952 12.582 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.816 14.045 4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.337 15.483 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.031 16.330 5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.548 17.769 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.899 18.197 3.945 1.00 0.00 H new ATOM 1183 N SER A 80 3.497 10.523 0.580 1.00 0.00 N ATOM 1184 CA SER A 80 3.428 9.111 0.222 1.00 0.00 C ATOM 1185 C SER A 80 4.084 8.246 1.294 1.00 0.00 C ATOM 1186 O SER A 80 5.199 8.524 1.735 1.00 0.00 O ATOM 1187 CB SER A 80 4.107 8.871 -1.128 1.00 0.00 C ATOM 1188 OG SER A 80 3.644 9.791 -2.102 1.00 0.00 O ATOM 0 H SER A 80 4.301 11.018 0.193 1.00 0.00 H new ATOM 0 HA SER A 80 2.377 8.832 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.187 8.966 -1.017 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.909 7.852 -1.462 1.00 0.00 H new ATOM 0 HG SER A 80 4.356 9.964 -2.753 1.00 0.00 H new ATOM 1194 N ILE A 81 3.382 7.196 1.709 1.00 0.00 N ATOM 1195 CA ILE A 81 3.896 6.289 2.728 1.00 0.00 C ATOM 1196 C ILE A 81 4.043 4.874 2.181 1.00 0.00 C ATOM 1197 O ILE A 81 3.570 4.568 1.086 1.00 0.00 O ATOM 1198 CB ILE A 81 2.979 6.256 3.966 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.546 5.907 3.557 1.00 0.00 C ATOM 1200 CG2 ILE A 81 3.018 7.594 4.690 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.734 5.286 4.672 1.00 0.00 C ATOM 0 H ILE A 81 2.457 6.953 1.355 1.00 0.00 H new ATOM 0 HA ILE A 81 4.876 6.666 3.021 1.00 0.00 H new ATOM 0 HB ILE A 81 3.340 5.486 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.044 6.812 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.575 5.218 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.365 7.555 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.038 7.805 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.678 8.382 4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.270 5.065 4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.213 4.364 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.674 5.982 5.509 1.00 0.00 H new ATOM 1213 N SER A 82 4.701 4.013 2.951 1.00 0.00 N ATOM 1214 CA SER A 82 4.912 2.629 2.543 1.00 0.00 C ATOM 1215 C SER A 82 4.600 1.671 3.688 1.00 0.00 C ATOM 1216 O SER A 82 5.339 1.598 4.670 1.00 0.00 O ATOM 1217 CB SER A 82 6.355 2.428 2.075 1.00 0.00 C ATOM 1218 OG SER A 82 7.275 2.930 3.028 1.00 0.00 O ATOM 0 H SER A 82 5.097 4.250 3.861 1.00 0.00 H new ATOM 0 HA SER A 82 4.235 2.413 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.542 1.367 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.504 2.932 1.120 1.00 0.00 H new ATOM 0 HG SER A 82 7.065 3.867 3.223 1.00 0.00 H new ATOM 1224 N ILE A 83 3.500 0.938 3.555 1.00 0.00 N ATOM 1225 CA ILE A 83 3.089 -0.016 4.577 1.00 0.00 C ATOM 1226 C ILE A 83 3.709 -1.387 4.330 1.00 0.00 C ATOM 1227 O ILE A 83 3.310 -2.105 3.413 1.00 0.00 O ATOM 1228 CB ILE A 83 1.557 -0.161 4.630 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.902 1.203 4.856 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.154 -1.137 5.725 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.587 1.210 4.590 1.00 0.00 C ATOM 0 H ILE A 83 2.877 0.987 2.749 1.00 0.00 H new ATOM 0 HA ILE A 83 3.442 0.374 5.532 1.00 0.00 H new ATOM 0 HB ILE A 83 1.211 -0.556 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.081 1.517 5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.382 1.939 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.068 -1.228 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.596 -2.113 5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.509 -0.770 6.688 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.984 2.209 4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.773 0.927 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.079 0.499 5.254 1.00 0.00 H new ATOM 1243 N SER A 84 4.687 -1.746 5.156 1.00 0.00 N ATOM 1244 CA SER A 84 5.365 -3.031 5.026 1.00 0.00 C ATOM 1245 C SER A 84 4.538 -4.147 5.656 1.00 0.00 C ATOM 1246 O SER A 84 3.700 -3.900 6.523 1.00 0.00 O ATOM 1247 CB SER A 84 6.746 -2.971 5.682 1.00 0.00 C ATOM 1248 OG SER A 84 7.516 -4.114 5.352 1.00 0.00 O ATOM 0 H SER A 84 5.028 -1.165 5.922 1.00 0.00 H new ATOM 0 HA SER A 84 5.484 -3.246 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.268 -2.071 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.636 -2.903 6.764 1.00 0.00 H new ATOM 0 HG SER A 84 8.395 -4.052 5.781 1.00 0.00 H new ATOM 1254 N ASN A 85 4.780 -5.377 5.214 1.00 0.00 N ATOM 1255 CA ASN A 85 4.058 -6.532 5.733 1.00 0.00 C ATOM 1256 C ASN A 85 2.575 -6.448 5.385 1.00 0.00 C ATOM 1257 O ASN A 85 1.713 -6.623 6.247 1.00 0.00 O ATOM 1258 CB ASN A 85 4.232 -6.629 7.250 1.00 0.00 C ATOM 1259 CG ASN A 85 4.176 -8.061 7.748 1.00 0.00 C ATOM 1260 OD1 ASN A 85 5.099 -8.844 7.525 1.00 0.00 O ATOM 1261 ND2 ASN A 85 3.089 -8.409 8.426 1.00 0.00 N ATOM 0 H ASN A 85 5.471 -5.599 4.497 1.00 0.00 H new ATOM 0 HA ASN A 85 4.472 -7.427 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.187 -6.186 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.453 -6.046 7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.995 -9.359 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.348 -7.727 8.587 1.00 0.00 H new ATOM 1268 N ILE A 86 2.285 -6.181 4.116 1.00 0.00 N ATOM 1269 CA ILE A 86 0.907 -6.075 3.653 1.00 0.00 C ATOM 1270 C ILE A 86 0.138 -7.366 3.918 1.00 0.00 C ATOM 1271 O ILE A 86 0.703 -8.459 3.872 1.00 0.00 O ATOM 1272 CB ILE A 86 0.840 -5.751 2.149 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.274 -4.305 1.898 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.565 -5.989 1.617 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.280 -3.281 2.399 1.00 0.00 C ATOM 0 H ILE A 86 2.986 -6.034 3.390 1.00 0.00 H new ATOM 0 HA ILE A 86 0.449 -5.259 4.212 1.00 0.00 H new ATOM 0 HB ILE A 86 1.524 -6.413 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.235 -4.133 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.425 -4.160 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.596 -5.755 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.839 -7.033 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.269 -5.349 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.652 -2.279 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.676 -3.426 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.147 -3.399 3.474 1.00 0.00 H new ATOM 1287 N THR A 87 -1.156 -7.232 4.194 1.00 0.00 N ATOM 1288 CA THR A 87 -2.003 -8.386 4.465 1.00 0.00 C ATOM 1289 C THR A 87 -3.137 -8.486 3.451 1.00 0.00 C ATOM 1290 O THR A 87 -3.562 -7.493 2.859 1.00 0.00 O ATOM 1291 CB THR A 87 -2.601 -8.324 5.883 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.190 -7.038 6.110 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.533 -8.590 6.933 1.00 0.00 C ATOM 0 H THR A 87 -1.640 -6.335 4.236 1.00 0.00 H new ATOM 0 HA THR A 87 -1.369 -9.269 4.385 1.00 0.00 H new ATOM 0 HB THR A 87 -3.368 -9.094 5.964 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.570 -7.007 7.013 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.979 -8.541 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.106 -9.581 6.775 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.747 -7.839 6.851 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.642 -9.711 3.246 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.736 -9.969 2.304 1.00 0.00 C ATOM 1303 C PRO A 88 -6.064 -9.396 2.787 1.00 0.00 C ATOM 1304 O PRO A 88 -7.100 -9.582 2.150 1.00 0.00 O ATOM 1305 CB PRO A 88 -4.802 -11.497 2.248 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.237 -11.950 3.549 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.185 -10.939 3.917 1.00 0.00 C ATOM 0 HA PRO A 88 -4.560 -9.500 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -5.827 -11.844 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.226 -11.887 1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.012 -12.003 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.806 -12.947 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.117 -10.805 4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.197 -11.243 3.570 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.026 -8.697 3.917 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.226 -8.095 4.484 1.00 0.00 C ATOM 1317 C ALA A 89 -7.136 -6.573 4.467 1.00 0.00 C ATOM 1318 O ALA A 89 -8.122 -5.880 4.723 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.449 -8.597 5.903 1.00 0.00 C ATOM 0 H ALA A 89 -5.177 -8.534 4.458 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.076 -8.390 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.349 -8.139 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.566 -9.681 5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.592 -8.332 6.522 1.00 0.00 H new ATOM 1325 N ASP A 90 -5.949 -6.058 4.165 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.731 -4.617 4.115 1.00 0.00 C ATOM 1327 C ASP A 90 -6.330 -4.021 2.845 1.00 0.00 C ATOM 1328 O ASP A 90 -6.785 -2.877 2.839 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.236 -4.303 4.186 1.00 0.00 C ATOM 1330 CG ASP A 90 -3.556 -4.418 2.835 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -3.959 -5.293 2.041 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -2.621 -3.632 2.573 1.00 0.00 O ATOM 0 H ASP A 90 -5.123 -6.617 3.951 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.229 -4.169 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.098 -3.294 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.757 -4.984 4.890 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.324 -4.803 1.771 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.866 -4.352 0.495 1.00 0.00 C ATOM 1339 C ALA A 91 -8.175 -3.595 0.692 1.00 0.00 C ATOM 1340 O ALA A 91 -8.781 -3.651 1.761 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.075 -5.537 -0.437 1.00 0.00 C ATOM 0 H ALA A 91 -5.950 -5.752 1.759 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.146 -3.670 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.480 -5.186 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.121 -6.035 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.773 -6.239 0.018 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.605 -2.885 -0.347 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.839 -2.125 -0.267 1.00 0.00 C ATOM 1349 C GLY A 92 -9.772 -0.828 -1.048 1.00 0.00 C ATOM 1350 O GLY A 92 -9.798 -0.833 -2.279 1.00 0.00 O ATOM 0 H GLY A 92 -8.121 -2.823 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.661 -2.732 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.060 -1.906 0.778 1.00 0.00 H new ATOM 1354 N THR A 93 -9.689 0.289 -0.331 1.00 0.00 N ATOM 1355 CA THR A 93 -9.622 1.600 -0.964 1.00 0.00 C ATOM 1356 C THR A 93 -9.164 2.666 0.025 1.00 0.00 C ATOM 1357 O THR A 93 -9.912 3.054 0.924 1.00 0.00 O ATOM 1358 CB THR A 93 -10.986 2.011 -1.550 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.550 0.922 -2.289 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.841 3.224 -2.457 1.00 0.00 C ATOM 0 H THR A 93 -9.667 0.311 0.689 1.00 0.00 H new ATOM 0 HA THR A 93 -8.895 1.523 -1.773 1.00 0.00 H new ATOM 0 HB THR A 93 -11.648 2.271 -0.724 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.834 0.424 -2.735 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.817 3.496 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.438 4.060 -1.885 1.00 0.00 H new ATOM 0 HG23 THR A 93 -10.164 2.986 -3.277 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.934 3.135 -0.145 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.376 4.156 0.735 1.00 0.00 C ATOM 1370 C TYR A 94 -7.661 5.554 0.196 1.00 0.00 C ATOM 1371 O TYR A 94 -7.406 5.846 -0.972 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.868 3.955 0.891 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.494 2.617 1.488 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.739 1.435 0.799 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.896 2.534 2.739 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.399 0.210 1.340 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.552 1.314 3.287 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.806 0.155 2.584 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.465 -1.063 3.127 1.00 0.00 O ATOM 0 H TYR A 94 -7.303 2.825 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.852 4.059 1.711 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.394 4.053 -0.086 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.467 4.749 1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.203 1.475 -0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.697 3.439 3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.596 -0.699 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.087 1.268 4.261 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.231 -1.672 3.072 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.192 6.415 1.057 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.514 7.784 0.670 1.00 0.00 C ATOM 1391 C TYR A 95 -7.666 8.785 1.449 1.00 0.00 C ATOM 1392 O TYR A 95 -7.915 9.042 2.627 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.999 8.066 0.903 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.916 7.051 0.258 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.214 5.852 0.893 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.486 7.293 -0.986 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -12.051 4.922 0.307 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.326 6.369 -1.579 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.604 5.185 -0.929 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.440 4.262 -1.515 1.00 0.00 O ATOM 0 H TYR A 95 -8.409 6.189 2.028 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.292 7.896 -0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.192 8.088 1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.237 9.057 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.784 5.643 1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.269 8.219 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.271 3.994 0.814 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.762 6.573 -2.546 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.745 4.601 -2.382 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.664 9.347 0.782 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.779 10.321 1.409 1.00 0.00 C ATOM 1412 C CYS A 96 -6.558 11.551 1.864 1.00 0.00 C ATOM 1413 O CYS A 96 -6.875 12.430 1.063 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.672 10.735 0.437 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.138 11.287 1.248 1.00 0.00 S ATOM 0 H CYS A 96 -6.444 9.144 -0.193 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.329 9.854 2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.442 9.893 -0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.043 11.539 -0.199 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.864 11.606 3.157 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.604 12.728 3.720 1.00 0.00 C ATOM 1422 C VAL A 97 -6.660 13.830 4.188 1.00 0.00 C ATOM 1423 O VAL A 97 -5.785 13.600 5.023 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.483 12.283 4.904 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.173 13.482 5.538 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.503 11.250 4.450 1.00 0.00 C ATOM 0 H VAL A 97 -6.610 10.886 3.834 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.244 13.115 2.927 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.843 11.823 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.789 13.148 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.422 14.184 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.802 13.974 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.116 10.946 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.140 11.682 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.985 10.380 4.047 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.844 15.029 3.645 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.010 16.169 4.007 1.00 0.00 C ATOM 1438 C LYS A 98 -6.657 16.983 5.124 1.00 0.00 C ATOM 1439 O LYS A 98 -7.337 17.976 4.868 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.770 17.060 2.786 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.073 18.369 3.116 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.720 18.132 3.766 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.179 19.402 4.405 1.00 0.00 C ATOM 1444 NZ LYS A 98 -1.691 19.441 4.386 1.00 0.00 N ATOM 0 H LYS A 98 -7.564 15.236 2.952 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.053 15.789 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.171 16.512 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.727 17.277 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.943 18.953 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.701 18.958 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.810 17.353 4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.014 17.770 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.572 20.270 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.531 19.469 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.328 19.310 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.332 18.680 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.372 20.360 4.018 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.439 16.555 6.363 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.000 17.245 7.519 1.00 0.00 C ATOM 1460 C PHE A 99 -6.411 18.646 7.656 1.00 0.00 C ATOM 1461 O PHE A 99 -5.197 18.831 7.570 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.738 16.442 8.795 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.842 15.483 9.138 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.900 14.233 8.545 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.822 15.833 10.053 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.915 13.348 8.859 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.838 14.953 10.371 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.885 13.709 9.772 1.00 0.00 C ATOM 0 H PHE A 99 -5.878 15.734 6.592 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.076 17.336 7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.808 15.886 8.680 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.596 17.132 9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.144 13.946 7.829 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.791 16.805 10.523 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.949 12.376 8.390 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.595 15.237 11.087 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.680 13.020 10.018 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.280 19.628 7.869 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.847 21.013 8.015 1.00 0.00 C ATOM 1480 C ARG A 100 -6.710 21.386 9.488 1.00 0.00 C ATOM 1481 O ARG A 100 -7.577 21.069 10.304 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.838 21.955 7.329 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.141 22.129 8.092 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.088 23.073 7.368 1.00 0.00 C ATOM 1485 NE ARG A 100 -9.890 24.463 7.772 1.00 0.00 N ATOM 1486 CZ ARG A 100 -10.802 25.414 7.604 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -11.969 25.126 7.045 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -10.548 26.655 7.998 1.00 0.00 N ATOM 0 H ARG A 100 -8.288 19.491 7.944 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.872 21.115 7.539 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.369 22.931 7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.059 21.573 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.621 21.159 8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.931 22.516 9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.937 22.983 6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.118 22.780 7.571 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.003 24.717 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -12.168 24.172 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.668 25.858 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.652 26.879 8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.249 27.385 7.869 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.616 22.062 9.823 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.365 22.480 11.197 1.00 0.00 C ATOM 1504 C LYS A 101 -6.490 23.374 11.708 1.00 0.00 C ATOM 1505 O LYS A 101 -6.617 24.526 11.297 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.029 23.221 11.290 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.385 23.145 12.664 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.115 23.975 12.731 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.450 23.868 14.095 1.00 0.00 C ATOM 1510 NZ LYS A 101 -2.265 24.513 15.161 1.00 0.00 N ATOM 0 H LYS A 101 -4.889 22.332 9.161 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.323 21.587 11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.341 22.807 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.185 24.268 11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.090 23.496 13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.155 22.106 12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.421 23.642 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.350 25.018 12.520 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.295 22.818 14.342 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.466 24.335 14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.714 24.555 16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.521 25.477 14.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.130 23.958 15.320 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.306 22.834 12.610 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.409 23.596 13.163 1.00 0.00 C ATOM 1526 C GLY A 102 -8.624 23.318 14.637 1.00 0.00 C ATOM 1527 O GLY A 102 -7.857 22.581 15.256 1.00 0.00 O ATOM 0 H GLY A 102 -7.222 21.882 12.967 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.219 24.660 13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.321 23.359 12.615 1.00 0.00 H new ATOM 1531 N SER A 103 -9.671 23.910 15.203 1.00 0.00 N ATOM 1532 CA SER A 103 -9.983 23.726 16.616 1.00 0.00 C ATOM 1533 C SER A 103 -11.426 23.268 16.799 1.00 0.00 C ATOM 1534 O SER A 103 -12.304 23.555 15.984 1.00 0.00 O ATOM 1535 CB SER A 103 -9.747 25.027 17.385 1.00 0.00 C ATOM 1536 OG SER A 103 -8.363 25.303 17.510 1.00 0.00 O ATOM 0 H SER A 103 -10.318 24.521 14.705 1.00 0.00 H new ATOM 0 HA SER A 103 -9.323 22.954 17.011 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.240 25.852 16.870 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.197 24.954 18.375 1.00 0.00 H new ATOM 0 HG SER A 103 -8.240 26.140 18.004 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.680 22.537 17.895 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.643 22.189 18.871 1.00 0.00 C ATOM 1544 C PRO A 104 -9.637 21.186 18.316 1.00 0.00 C ATOM 1545 O PRO A 104 -8.703 20.782 19.008 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.436 21.568 20.024 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.681 21.050 19.392 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.997 21.994 18.265 1.00 0.00 C ATOM 0 HA PRO A 104 -10.049 23.056 19.161 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.874 20.768 20.505 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.660 22.307 20.793 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.538 20.035 19.022 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.499 21.014 20.112 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.468 21.478 17.429 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.682 22.781 18.580 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.834 20.789 17.064 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.943 19.834 16.415 1.00 0.00 C ATOM 1558 C ASP A 105 -9.035 19.951 14.897 1.00 0.00 C ATOM 1559 O ASP A 105 -9.829 20.731 14.371 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.284 18.409 16.851 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.086 17.482 16.786 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -7.140 17.679 17.576 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -8.095 16.559 15.944 1.00 0.00 O ATOM 0 H ASP A 105 -10.603 21.114 16.478 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.921 20.063 16.718 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -9.671 18.427 17.870 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -10.078 18.017 16.215 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.217 19.171 14.199 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.205 19.187 12.740 1.00 0.00 C ATOM 1570 C ASP A 106 -9.578 18.826 12.182 1.00 0.00 C ATOM 1571 O ASP A 106 -10.417 18.262 12.885 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.152 18.213 12.207 1.00 0.00 C ATOM 1573 CG ASP A 106 -5.814 18.371 12.901 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -5.162 19.417 12.701 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.418 17.448 13.644 1.00 0.00 O ATOM 0 H ASP A 106 -7.554 18.520 14.619 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.954 20.196 12.414 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.507 17.191 12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.024 18.371 11.136 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.801 19.157 10.914 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.072 18.868 10.261 1.00 0.00 C ATOM 1582 C VAL A 107 -10.856 18.321 8.855 1.00 0.00 C ATOM 1583 O VAL A 107 -10.010 18.815 8.110 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.960 20.125 10.181 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.243 19.824 9.421 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.266 20.650 11.575 1.00 0.00 C ATOM 0 H VAL A 107 -9.118 19.625 10.319 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.575 18.114 10.867 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.418 20.899 9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.858 20.723 9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.999 19.498 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.793 19.035 9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.894 21.538 11.500 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.789 19.883 12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.335 20.906 12.080 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.627 17.299 8.498 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.519 16.685 7.180 1.00 0.00 C ATOM 1598 C GLU A 108 -11.825 17.699 6.080 1.00 0.00 C ATOM 1599 O GLU A 108 -12.984 17.920 5.729 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.472 15.493 7.068 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.678 15.009 5.643 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.571 13.786 5.565 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -13.416 12.884 6.414 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -14.424 13.731 4.655 1.00 0.00 O ATOM 0 H GLU A 108 -12.333 16.879 9.103 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.494 16.335 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.084 14.671 7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.437 15.770 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.116 15.812 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.710 14.776 5.199 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.776 18.312 5.542 1.00 0.00 N ATOM 1612 CA PHE A 109 -10.931 19.303 4.483 1.00 0.00 C ATOM 1613 C PHE A 109 -11.183 18.628 3.138 1.00 0.00 C ATOM 1614 O PHE A 109 -12.250 18.779 2.544 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.686 20.188 4.398 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.734 21.184 3.275 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.491 22.339 3.387 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.022 20.966 2.107 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.538 23.257 2.355 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.064 21.880 1.071 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.823 23.028 1.196 1.00 0.00 C ATOM 0 H PHE A 109 -9.810 18.140 5.821 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.794 19.924 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.564 20.721 5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.808 19.555 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.051 22.524 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.427 20.071 2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.133 24.153 2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.505 21.697 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.857 23.745 0.389 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.191 17.883 2.663 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.302 17.183 1.388 1.00 0.00 C ATOM 1633 C LYS A 110 -10.337 15.673 1.598 1.00 0.00 C ATOM 1634 O LYS A 110 -10.241 15.191 2.727 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.131 17.555 0.475 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.518 17.682 -0.988 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.867 19.116 -1.350 1.00 0.00 C ATOM 1638 CE LYS A 110 -11.187 19.542 -0.727 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.553 20.936 -1.102 1.00 0.00 N ATOM 0 H LYS A 110 -9.300 17.748 3.142 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.235 17.488 0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.704 18.499 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.351 16.799 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.695 17.338 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.370 17.035 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.072 19.781 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.926 19.215 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.976 18.861 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.118 19.464 0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.570 21.083 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.011 21.606 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.334 21.094 -2.106 1.00 0.00 H new ATOM 1653 N SER A 111 -10.474 14.931 0.504 1.00 0.00 N ATOM 1654 CA SER A 111 -10.525 13.475 0.569 1.00 0.00 C ATOM 1655 C SER A 111 -10.003 12.855 -0.724 1.00 0.00 C ATOM 1656 O SER A 111 -10.431 13.221 -1.818 1.00 0.00 O ATOM 1657 CB SER A 111 -11.956 13.004 0.832 1.00 0.00 C ATOM 1658 OG SER A 111 -12.073 11.603 0.657 1.00 0.00 O ATOM 0 H SER A 111 -10.552 15.314 -0.438 1.00 0.00 H new ATOM 0 HA SER A 111 -9.887 13.151 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.250 13.272 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.641 13.516 0.156 1.00 0.00 H new ATOM 0 HG SER A 111 -12.997 11.327 0.833 1.00 0.00 H new ATOM 1664 N GLY A 112 -9.074 11.913 -0.588 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.509 11.257 -1.752 1.00 0.00 C ATOM 1666 C GLY A 112 -9.564 10.590 -2.613 1.00 0.00 C ATOM 1667 O GLY A 112 -10.634 10.229 -2.125 1.00 0.00 O ATOM 0 H GLY A 112 -8.703 11.593 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.967 11.989 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.784 10.510 -1.428 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.263 10.429 -3.897 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.194 9.802 -4.827 1.00 0.00 C ATOM 1673 C ALA A 113 -10.514 8.372 -4.403 1.00 0.00 C ATOM 1674 O ALA A 113 -11.656 7.927 -4.500 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.624 9.821 -6.237 1.00 0.00 C ATOM 0 H ALA A 113 -8.382 10.724 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.122 10.373 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.330 9.350 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.452 10.852 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.681 9.275 -6.256 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.496 7.657 -3.932 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.690 6.285 -3.501 1.00 0.00 C ATOM 1683 C GLY A 114 -8.704 5.330 -4.145 1.00 0.00 C ATOM 1684 O GLY A 114 -9.014 4.689 -5.150 1.00 0.00 O ATOM 0 H GLY A 114 -8.541 8.004 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.589 6.230 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.706 5.972 -3.743 1.00 0.00 H new ATOM 1688 N THR A 115 -7.511 5.236 -3.567 1.00 0.00 N ATOM 1689 CA THR A 115 -6.475 4.355 -4.092 1.00 0.00 C ATOM 1690 C THR A 115 -6.787 2.895 -3.784 1.00 0.00 C ATOM 1691 O THR A 115 -6.631 2.443 -2.650 1.00 0.00 O ATOM 1692 CB THR A 115 -5.092 4.706 -3.512 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.689 6.005 -3.959 1.00 0.00 O ATOM 1694 CG2 THR A 115 -4.053 3.675 -3.928 1.00 0.00 C ATOM 0 H THR A 115 -7.238 5.759 -2.735 1.00 0.00 H new ATOM 0 HA THR A 115 -6.455 4.499 -5.172 1.00 0.00 H new ATOM 0 HB THR A 115 -5.167 4.704 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.810 6.222 -3.585 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.084 3.944 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.348 2.692 -3.561 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.981 3.649 -5.015 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.228 2.161 -4.802 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.562 0.751 -4.638 1.00 0.00 C ATOM 1704 C GLU A 116 -6.299 -0.099 -4.535 1.00 0.00 C ATOM 1705 O GLU A 116 -5.415 -0.024 -5.390 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.421 0.268 -5.808 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.844 -1.186 -5.693 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.657 -1.654 -6.885 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -9.049 -2.033 -7.907 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.903 -1.640 -6.794 1.00 0.00 O ATOM 0 H GLU A 116 -7.362 2.519 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.128 0.643 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.312 0.892 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.865 0.404 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.957 -1.812 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.430 -1.319 -4.784 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.220 -0.905 -3.483 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.065 -1.769 -3.266 1.00 0.00 C ATOM 1719 C LEU A 117 -5.379 -3.208 -3.663 1.00 0.00 C ATOM 1720 O LEU A 117 -6.459 -3.721 -3.370 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.630 -1.716 -1.800 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.494 -2.658 -1.402 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.147 -2.054 -1.767 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.555 -2.969 0.086 1.00 0.00 C ATOM 0 H LEU A 117 -6.942 -0.979 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.250 -1.408 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.326 -0.695 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.496 -1.940 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.612 -3.591 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.350 -2.739 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.104 -1.884 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.020 -1.106 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.739 -3.641 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.463 -2.044 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.507 -3.445 0.319 1.00 0.00 H new ATOM 1736 N SER A 118 -4.428 -3.855 -4.329 1.00 0.00 N ATOM 1737 CA SER A 118 -4.604 -5.234 -4.767 1.00 0.00 C ATOM 1738 C SER A 118 -3.585 -6.151 -4.098 1.00 0.00 C ATOM 1739 O SER A 118 -2.426 -6.216 -4.509 1.00 0.00 O ATOM 1740 CB SER A 118 -4.471 -5.329 -6.288 1.00 0.00 C ATOM 1741 OG SER A 118 -4.781 -6.634 -6.747 1.00 0.00 O ATOM 0 H SER A 118 -3.527 -3.446 -4.577 1.00 0.00 H new ATOM 0 HA SER A 118 -5.604 -5.557 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.137 -4.606 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.455 -5.068 -6.584 1.00 0.00 H new ATOM 0 HG SER A 118 -4.690 -6.668 -7.722 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.026 -6.860 -3.063 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.154 -7.775 -2.336 1.00 0.00 C ATOM 1749 C VAL A 119 -3.015 -9.103 -3.072 1.00 0.00 C ATOM 1750 O VAL A 119 -4.000 -9.803 -3.301 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.681 -8.041 -0.913 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.729 -8.951 -0.152 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.890 -6.731 -0.169 1.00 0.00 C ATOM 0 H VAL A 119 -4.982 -6.818 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.177 -7.296 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.644 -8.546 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.118 -9.127 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.636 -9.901 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.750 -8.477 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.262 -6.938 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.943 -6.196 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.615 -6.119 -0.706 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.783 -9.443 -3.439 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.515 -10.687 -4.150 1.00 0.00 C ATOM 1765 C ARG A 120 -1.032 -11.769 -3.189 1.00 0.00 C ATOM 1766 O ARG A 120 0.032 -11.646 -2.584 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.470 -10.459 -5.244 1.00 0.00 C ATOM 1768 CG ARG A 120 -0.977 -9.618 -6.404 1.00 0.00 C ATOM 1769 CD ARG A 120 -0.185 -9.886 -7.675 1.00 0.00 C ATOM 1770 NE ARG A 120 -0.476 -11.204 -8.232 1.00 0.00 N ATOM 1771 CZ ARG A 120 0.321 -11.832 -9.089 1.00 0.00 C ATOM 1772 NH1 ARG A 120 1.453 -11.265 -9.485 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -0.012 -13.030 -9.553 1.00 0.00 N ATOM 0 H ARG A 120 -0.956 -8.875 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.445 -11.021 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.401 -9.972 -4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.138 -11.425 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.031 -9.834 -6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.907 -8.561 -6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -0.417 -9.120 -8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 120 0.881 -9.810 -7.461 1.00 0.00 H new ATOM 0 HE ARG A 120 -1.339 -11.668 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.713 -10.344 -9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.063 -11.750 -10.143 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.881 -13.470 -9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.601 -13.511 -10.211 1.00 0.00 H new ATOM 1787 N ALA A 121 -1.823 -12.829 -3.053 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.476 -13.933 -2.167 1.00 0.00 C ATOM 1789 C ALA A 121 -0.067 -14.442 -2.451 1.00 0.00 C ATOM 1790 O ALA A 121 0.435 -14.322 -3.569 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.486 -15.061 -2.310 1.00 0.00 C ATOM 0 H ALA A 121 -2.709 -12.946 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.501 -13.566 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.215 -15.879 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.479 -14.695 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.489 -15.419 -3.340 1.00 0.00 H new ATOM 1797 N LYS A 122 0.568 -15.010 -1.431 1.00 0.00 N ATOM 1798 CA LYS A 122 1.920 -15.538 -1.570 1.00 0.00 C ATOM 1799 C LYS A 122 2.124 -16.155 -2.950 1.00 0.00 C ATOM 1800 O LYS A 122 1.220 -16.760 -3.526 1.00 0.00 O ATOM 1801 CB LYS A 122 2.195 -16.585 -0.487 1.00 0.00 C ATOM 1802 CG LYS A 122 2.778 -16.001 0.789 1.00 0.00 C ATOM 1803 CD LYS A 122 2.604 -16.948 1.965 1.00 0.00 C ATOM 1804 CE LYS A 122 3.052 -16.304 3.268 1.00 0.00 C ATOM 1805 NZ LYS A 122 3.056 -17.279 4.395 1.00 0.00 N ATOM 0 H LYS A 122 0.168 -15.116 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 122 2.620 -14.710 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.265 -17.102 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.883 -17.332 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.838 -15.791 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.292 -15.051 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.558 -17.243 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.179 -17.857 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.052 -15.889 3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.390 -15.473 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.367 -16.802 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.097 -17.657 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.707 -18.060 4.176 1.00 0.00 H new