USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 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 35 SER OG : rot -149:sc= -3.8! USER MOD Set 1.2: A 52 SER OG : rot 80:sc= -3.56! USER MOD Single : A 3 GLN : amide:sc=-0.00106 X(o=-0.0011,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.634 USER MOD Single : A 21 SER OG : rot 20:sc= 0.806 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 28 THR OG1 : rot 26:sc= -4.82! USER MOD Single : A 30 SER OG : rot -170:sc= -1.15 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 172:sc= -23.3! (180deg=-24!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.384! C(o=-2.7!,f=-0.38!) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0.0396 (180deg=0.0338) USER MOD Single : A 49 SER OG : rot -137:sc= -7.46! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.027 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -3.07! C(o=-3.1!,f=-7.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 80 TYR OH : rot 175:sc= -0.0741! USER MOD Single : A 82 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.2) USER MOD Single : A 83 MET CE :methyl -120:sc= -23.6! (180deg=-28.6!) USER MOD Single : A 84 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.7!) USER MOD Single : A 85 SER OG : rot -79:sc= 0.823 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -137:sc= -1.69! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -113:sc= -2.03! (180deg=-5.91!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 149:sc= 0.309 USER MOD Single : A 109 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.022) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.031 10.975 -12.871 1.00 0.00 N ATOM 11 CA VAL A 2 -11.130 9.821 -12.600 1.00 0.00 C ATOM 12 C VAL A 2 -11.959 8.526 -12.577 1.00 0.00 C ATOM 13 O VAL A 2 -13.155 8.550 -12.367 1.00 0.00 O ATOM 14 CB VAL A 2 -10.417 10.047 -11.254 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.257 9.493 -10.099 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.051 9.350 -11.270 1.00 0.00 C ATOM 0 HA VAL A 2 -10.376 9.733 -13.382 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.283 11.119 -11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.736 9.662 -9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.222 9.999 -10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.411 8.423 -10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.549 9.512 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.190 8.281 -11.430 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.442 9.761 -12.075 1.00 0.00 H new ATOM 17 N GLN A 3 -11.332 7.399 -12.789 1.00 0.00 N ATOM 18 CA GLN A 3 -12.077 6.102 -12.780 1.00 0.00 C ATOM 19 C GLN A 3 -11.037 5.001 -12.696 1.00 0.00 C ATOM 20 O GLN A 3 -10.234 4.842 -13.590 1.00 0.00 O ATOM 21 CB GLN A 3 -12.884 5.954 -14.072 1.00 0.00 C ATOM 22 CG GLN A 3 -14.356 6.269 -13.797 1.00 0.00 C ATOM 23 CD GLN A 3 -15.200 5.018 -14.052 1.00 0.00 C ATOM 24 OE1 GLN A 3 -15.777 4.465 -13.136 1.00 0.00 O ATOM 25 NE2 GLN A 3 -15.297 4.546 -15.265 1.00 0.00 N ATOM 0 H GLN A 3 -10.331 7.319 -12.969 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.770 6.055 -11.940 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.494 6.627 -14.835 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.785 4.940 -14.460 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.482 6.602 -12.767 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.691 7.084 -14.439 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.813 5.010 -16.033 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.857 3.713 -15.445 1.00 0.00 H new ATOM 26 N LEU A 4 -10.972 4.285 -11.608 1.00 0.00 N ATOM 27 CA LEU A 4 -9.889 3.283 -11.509 1.00 0.00 C ATOM 28 C LEU A 4 -10.175 2.169 -10.504 1.00 0.00 C ATOM 29 O LEU A 4 -11.239 2.085 -9.924 1.00 0.00 O ATOM 30 CB LEU A 4 -8.632 4.008 -11.075 1.00 0.00 C ATOM 31 CG LEU A 4 -8.942 5.158 -10.103 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.573 6.357 -10.812 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.847 4.697 -8.953 1.00 0.00 C ATOM 0 H LEU A 4 -11.603 4.349 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.789 2.808 -12.485 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.952 3.302 -10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.119 4.402 -11.952 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.985 5.474 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.774 7.144 -10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.888 6.732 -11.573 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.507 6.051 -11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.045 5.537 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.789 4.325 -9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.352 3.901 -8.397 1.00 0.00 H new ATOM 34 N VAL A 5 -9.197 1.308 -10.298 1.00 0.00 N ATOM 35 CA VAL A 5 -9.370 0.176 -9.325 1.00 0.00 C ATOM 36 C VAL A 5 -8.155 -0.772 -9.371 1.00 0.00 C ATOM 37 O VAL A 5 -7.895 -1.412 -10.368 1.00 0.00 O ATOM 38 CB VAL A 5 -10.638 -0.620 -9.663 1.00 0.00 C ATOM 39 CG1 VAL A 5 -11.789 -0.144 -8.779 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.010 -0.420 -11.137 1.00 0.00 C ATOM 0 H VAL A 5 -8.289 1.342 -10.762 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.456 0.600 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.451 -1.679 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.690 -0.709 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.531 -0.299 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.968 0.917 -8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.911 -0.989 -11.365 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.192 0.638 -11.326 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.192 -0.766 -11.769 1.00 0.00 H new ATOM 41 N GLU A 6 -7.421 -0.871 -8.288 1.00 0.00 N ATOM 42 CA GLU A 6 -6.225 -1.780 -8.244 1.00 0.00 C ATOM 43 C GLU A 6 -6.520 -3.087 -8.989 1.00 0.00 C ATOM 44 O GLU A 6 -7.660 -3.428 -9.236 1.00 0.00 O ATOM 45 CB GLU A 6 -5.890 -2.101 -6.785 1.00 0.00 C ATOM 46 CG GLU A 6 -7.040 -2.893 -6.160 1.00 0.00 C ATOM 47 CD GLU A 6 -8.219 -1.957 -5.894 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.202 -1.290 -4.872 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.118 -1.920 -6.719 1.00 0.00 O ATOM 0 H GLU A 6 -7.599 -0.358 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.383 -1.280 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.966 -2.677 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.724 -1.179 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.345 -3.699 -6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.713 -3.356 -5.229 1.00 0.00 H new ATOM 50 N SER A 7 -5.497 -3.833 -9.347 1.00 0.00 N ATOM 51 CA SER A 7 -5.733 -5.115 -10.068 1.00 0.00 C ATOM 52 C SER A 7 -4.394 -5.804 -10.339 1.00 0.00 C ATOM 53 O SER A 7 -3.377 -5.161 -10.510 1.00 0.00 O ATOM 54 CB SER A 7 -6.436 -4.834 -11.396 1.00 0.00 C ATOM 55 OG SER A 7 -6.723 -6.065 -12.045 1.00 0.00 O ATOM 0 H SER A 7 -4.518 -3.606 -9.170 1.00 0.00 H new ATOM 0 HA SER A 7 -6.359 -5.763 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.357 -4.278 -11.222 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.804 -4.214 -12.031 1.00 0.00 H new ATOM 0 HG SER A 7 -7.175 -5.888 -12.896 1.00 0.00 H new ATOM 56 N GLY A 8 -4.386 -7.110 -10.381 1.00 0.00 N ATOM 57 CA GLY A 8 -3.113 -7.838 -10.643 1.00 0.00 C ATOM 58 C GLY A 8 -3.188 -9.239 -10.034 1.00 0.00 C ATOM 59 O GLY A 8 -3.979 -10.065 -10.445 1.00 0.00 O ATOM 0 H GLY A 8 -5.205 -7.702 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.936 -7.906 -11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.274 -7.289 -10.215 1.00 0.00 H new ATOM 60 N GLY A 9 -2.367 -9.514 -9.057 1.00 0.00 N ATOM 61 CA GLY A 9 -2.388 -10.861 -8.422 1.00 0.00 C ATOM 62 C GLY A 9 -1.182 -11.669 -8.905 1.00 0.00 C ATOM 63 O GLY A 9 -1.284 -12.844 -9.195 1.00 0.00 O ATOM 0 H GLY A 9 -1.683 -8.863 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.364 -10.764 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.312 -11.380 -8.675 1.00 0.00 H new ATOM 64 N GLY A 10 -0.040 -11.045 -8.994 1.00 0.00 N ATOM 65 CA GLY A 10 1.174 -11.776 -9.457 1.00 0.00 C ATOM 66 C GLY A 10 1.721 -12.632 -8.312 1.00 0.00 C ATOM 67 O GLY A 10 0.997 -13.029 -7.419 1.00 0.00 O ATOM 0 H GLY A 10 0.105 -10.061 -8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.928 -12.407 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.933 -11.068 -9.791 1.00 0.00 H new ATOM 68 N LEU A 11 2.996 -12.917 -8.325 1.00 0.00 N ATOM 69 CA LEU A 11 3.586 -13.740 -7.232 1.00 0.00 C ATOM 70 C LEU A 11 4.633 -12.908 -6.491 1.00 0.00 C ATOM 71 O LEU A 11 5.249 -12.029 -7.058 1.00 0.00 O ATOM 72 CB LEU A 11 4.234 -14.991 -7.818 1.00 0.00 C ATOM 73 CG LEU A 11 3.169 -15.819 -8.542 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.787 -16.494 -9.768 1.00 0.00 C ATOM 75 CD2 LEU A 11 2.624 -16.889 -7.593 1.00 0.00 C ATOM 0 H LEU A 11 3.653 -12.615 -9.045 1.00 0.00 H new ATOM 0 HA LEU A 11 2.803 -14.044 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.028 -14.713 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.694 -15.582 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 11 2.357 -15.165 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.027 -17.083 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.175 -15.733 -10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.600 -17.148 -9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.866 -17.479 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.437 -17.541 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.181 -16.410 -6.720 1.00 0.00 H new ATOM 76 N VAL A 12 4.828 -13.162 -5.226 1.00 0.00 N ATOM 77 CA VAL A 12 5.817 -12.357 -4.451 1.00 0.00 C ATOM 78 C VAL A 12 6.848 -13.259 -3.776 1.00 0.00 C ATOM 79 O VAL A 12 7.090 -13.149 -2.591 1.00 0.00 O ATOM 80 CB VAL A 12 5.081 -11.564 -3.372 1.00 0.00 C ATOM 81 CG1 VAL A 12 4.657 -10.208 -3.929 1.00 0.00 C ATOM 82 CG2 VAL A 12 3.842 -12.344 -2.928 1.00 0.00 C ATOM 0 H VAL A 12 4.348 -13.889 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 12 6.331 -11.687 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 12 5.743 -11.411 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.132 -9.645 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.540 -9.653 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.995 -10.356 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.314 -11.781 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.182 -12.496 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.145 -13.311 -2.527 1.00 0.00 H new ATOM 83 N GLN A 13 7.470 -14.133 -4.509 1.00 0.00 N ATOM 84 CA GLN A 13 8.500 -15.012 -3.888 1.00 0.00 C ATOM 85 C GLN A 13 9.423 -14.144 -3.023 1.00 0.00 C ATOM 86 O GLN A 13 9.340 -12.932 -3.065 1.00 0.00 O ATOM 87 CB GLN A 13 9.317 -15.688 -4.994 1.00 0.00 C ATOM 88 CG GLN A 13 8.924 -17.163 -5.103 1.00 0.00 C ATOM 89 CD GLN A 13 9.884 -17.886 -6.055 1.00 0.00 C ATOM 90 OE1 GLN A 13 10.666 -17.192 -6.839 1.00 0.00 O flip ATOM 91 NE2 GLN A 13 9.921 -19.101 -6.089 1.00 0.00 N flip ATOM 0 H GLN A 13 7.313 -14.279 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 13 8.026 -15.777 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.144 -15.185 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.382 -15.601 -4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.952 -17.630 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.901 -17.250 -5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.313 -19.647 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.560 -19.574 -6.727 1.00 0.00 H new ATOM 92 N PRO A 14 10.285 -14.781 -2.276 1.00 0.00 N ATOM 93 CA PRO A 14 11.241 -14.075 -1.404 1.00 0.00 C ATOM 94 C PRO A 14 12.240 -13.290 -2.247 1.00 0.00 C ATOM 95 O PRO A 14 13.055 -13.852 -2.952 1.00 0.00 O ATOM 96 CB PRO A 14 11.916 -15.206 -0.612 1.00 0.00 C ATOM 97 CG PRO A 14 11.698 -16.487 -1.441 1.00 0.00 C ATOM 98 CD PRO A 14 10.404 -16.249 -2.237 1.00 0.00 C ATOM 0 HA PRO A 14 10.774 -13.342 -0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.978 -15.006 -0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.478 -15.304 0.381 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.540 -16.670 -2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.606 -17.361 -0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.466 -16.673 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.544 -16.708 -1.750 1.00 0.00 H new ATOM 99 N GLY A 15 12.159 -11.989 -2.203 1.00 0.00 N ATOM 100 CA GLY A 15 13.081 -11.165 -3.028 1.00 0.00 C ATOM 101 C GLY A 15 12.699 -11.379 -4.488 1.00 0.00 C ATOM 102 O GLY A 15 13.519 -11.315 -5.382 1.00 0.00 O ATOM 0 H GLY A 15 11.496 -11.464 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.999 -10.112 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.117 -11.458 -2.855 1.00 0.00 H new ATOM 103 N GLY A 16 11.447 -11.662 -4.719 1.00 0.00 N ATOM 104 CA GLY A 16 10.971 -11.921 -6.101 1.00 0.00 C ATOM 105 C GLY A 16 10.626 -10.611 -6.807 1.00 0.00 C ATOM 106 O GLY A 16 11.455 -9.738 -6.977 1.00 0.00 O ATOM 0 H GLY A 16 10.727 -11.725 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.740 -12.451 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.094 -12.567 -6.074 1.00 0.00 H new ATOM 107 N SER A 17 9.401 -10.485 -7.228 1.00 0.00 N ATOM 108 CA SER A 17 8.959 -9.258 -7.942 1.00 0.00 C ATOM 109 C SER A 17 7.603 -9.559 -8.569 1.00 0.00 C ATOM 110 O SER A 17 7.497 -10.333 -9.500 1.00 0.00 O ATOM 111 CB SER A 17 9.970 -8.899 -9.033 1.00 0.00 C ATOM 112 OG SER A 17 10.512 -7.611 -8.766 1.00 0.00 O ATOM 0 H SER A 17 8.676 -11.192 -7.106 1.00 0.00 H new ATOM 0 HA SER A 17 8.886 -8.416 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.767 -9.642 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.487 -8.907 -10.010 1.00 0.00 H new ATOM 0 HG SER A 17 11.161 -7.379 -9.462 1.00 0.00 H new ATOM 113 N LEU A 18 6.560 -8.988 -8.046 1.00 0.00 N ATOM 114 CA LEU A 18 5.215 -9.277 -8.588 1.00 0.00 C ATOM 115 C LEU A 18 4.754 -8.146 -9.497 1.00 0.00 C ATOM 116 O LEU A 18 5.306 -7.066 -9.487 1.00 0.00 O ATOM 117 CB LEU A 18 4.257 -9.449 -7.421 1.00 0.00 C ATOM 118 CG LEU A 18 3.967 -8.115 -6.754 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.640 -8.229 -6.026 1.00 0.00 C ATOM 120 CD2 LEU A 18 5.063 -7.820 -5.738 1.00 0.00 C ATOM 0 H LEU A 18 6.584 -8.333 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 18 5.241 -10.190 -9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.326 -9.894 -7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.685 -10.138 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 18 3.929 -7.318 -7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.410 -7.282 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.853 -8.470 -6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.703 -9.017 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.863 -6.864 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.085 -8.609 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.027 -7.775 -6.245 1.00 0.00 H new ATOM 121 N ARG A 19 3.757 -8.397 -10.300 1.00 0.00 N ATOM 122 CA ARG A 19 3.276 -7.348 -11.233 1.00 0.00 C ATOM 123 C ARG A 19 1.769 -7.119 -11.066 1.00 0.00 C ATOM 124 O ARG A 19 0.954 -7.855 -11.588 1.00 0.00 O ATOM 125 CB ARG A 19 3.566 -7.803 -12.664 1.00 0.00 C ATOM 126 CG ARG A 19 2.946 -6.822 -13.661 1.00 0.00 C ATOM 127 CD ARG A 19 2.206 -7.602 -14.749 1.00 0.00 C ATOM 128 NE ARG A 19 0.736 -7.505 -14.519 1.00 0.00 N ATOM 129 CZ ARG A 19 -0.032 -6.952 -15.419 1.00 0.00 C ATOM 130 NH1 ARG A 19 0.366 -5.881 -16.050 1.00 0.00 N ATOM 131 NH2 ARG A 19 -1.197 -7.473 -15.690 1.00 0.00 N ATOM 0 H ARG A 19 3.257 -9.284 -10.348 1.00 0.00 H new ATOM 0 HA ARG A 19 3.790 -6.411 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.642 -7.865 -12.824 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.162 -8.802 -12.826 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.258 -6.151 -13.147 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.723 -6.201 -14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.458 -7.204 -15.732 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.518 -8.646 -14.739 1.00 0.00 H new ATOM 0 HE ARG A 19 0.330 -7.871 -13.658 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.278 -5.475 -15.840 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.235 -5.450 -16.753 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.507 -8.312 -15.199 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.798 -7.042 -16.393 1.00 0.00 H new ATOM 132 N LEU A 20 1.400 -6.082 -10.368 1.00 0.00 N ATOM 133 CA LEU A 20 -0.051 -5.761 -10.188 1.00 0.00 C ATOM 134 C LEU A 20 -0.301 -4.406 -10.835 1.00 0.00 C ATOM 135 O LEU A 20 0.330 -4.071 -11.819 1.00 0.00 O ATOM 136 CB LEU A 20 -0.407 -5.710 -8.701 1.00 0.00 C ATOM 137 CG LEU A 20 0.515 -6.638 -7.927 1.00 0.00 C ATOM 138 CD1 LEU A 20 1.866 -5.955 -7.726 1.00 0.00 C ATOM 139 CD2 LEU A 20 -0.115 -6.943 -6.569 1.00 0.00 C ATOM 0 H LEU A 20 2.043 -5.436 -9.910 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.671 -6.529 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.311 -4.690 -8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.446 -6.007 -8.554 1.00 0.00 H new ATOM 0 HG LEU A 20 0.660 -7.566 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.530 -6.618 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.307 -5.729 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.726 -5.030 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.539 -7.608 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.252 -6.014 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.082 -7.424 -6.716 1.00 0.00 H new ATOM 140 N SER A 21 -1.201 -3.612 -10.323 1.00 0.00 N ATOM 141 CA SER A 21 -1.427 -2.300 -10.981 1.00 0.00 C ATOM 142 C SER A 21 -2.599 -1.527 -10.365 1.00 0.00 C ATOM 143 O SER A 21 -3.115 -1.857 -9.315 1.00 0.00 O ATOM 144 CB SER A 21 -1.723 -2.564 -12.450 1.00 0.00 C ATOM 145 OG SER A 21 -2.576 -3.696 -12.561 1.00 0.00 O ATOM 0 H SER A 21 -1.773 -3.808 -9.502 1.00 0.00 H new ATOM 0 HA SER A 21 -0.535 -1.689 -10.848 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.197 -1.692 -12.900 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.795 -2.739 -12.994 1.00 0.00 H new ATOM 0 HG SER A 21 -3.024 -3.853 -11.704 1.00 0.00 H new ATOM 146 N CYS A 22 -2.999 -0.482 -11.043 1.00 0.00 N ATOM 147 CA CYS A 22 -4.117 0.381 -10.590 1.00 0.00 C ATOM 148 C CYS A 22 -4.913 0.814 -11.815 1.00 0.00 C ATOM 149 O CYS A 22 -4.490 1.674 -12.567 1.00 0.00 O ATOM 150 CB CYS A 22 -3.547 1.606 -9.897 1.00 0.00 C ATOM 151 SG CYS A 22 -3.456 1.250 -8.138 1.00 0.00 S ATOM 0 H CYS A 22 -2.577 -0.186 -11.923 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.761 -0.160 -9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.558 1.842 -10.291 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.178 2.476 -10.078 1.00 0.00 H new ATOM 152 N ALA A 23 -6.055 0.218 -12.033 1.00 0.00 N ATOM 153 CA ALA A 23 -6.867 0.604 -13.217 1.00 0.00 C ATOM 154 C ALA A 23 -6.985 2.119 -13.229 1.00 0.00 C ATOM 155 O ALA A 23 -6.811 2.755 -12.215 1.00 0.00 O ATOM 156 CB ALA A 23 -8.261 -0.014 -13.119 1.00 0.00 C ATOM 0 H ALA A 23 -6.456 -0.513 -11.446 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.391 0.247 -14.131 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.849 0.274 -13.991 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.176 -1.100 -13.082 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.754 0.342 -12.215 1.00 0.00 H new ATOM 157 N ALA A 24 -7.280 2.695 -14.362 1.00 0.00 N ATOM 158 CA ALA A 24 -7.404 4.178 -14.445 1.00 0.00 C ATOM 159 C ALA A 24 -7.710 4.575 -15.896 1.00 0.00 C ATOM 160 O ALA A 24 -6.985 4.220 -16.821 1.00 0.00 O ATOM 161 CB ALA A 24 -6.096 4.826 -13.984 1.00 0.00 C ATOM 0 H ALA A 24 -7.441 2.199 -15.239 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.213 4.521 -13.800 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.186 5.911 -14.045 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.890 4.536 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.280 4.493 -14.625 1.00 0.00 H new ATOM 162 N SER A 25 -8.783 5.299 -16.109 1.00 0.00 N ATOM 163 CA SER A 25 -9.142 5.700 -17.501 1.00 0.00 C ATOM 164 C SER A 25 -9.601 7.157 -17.528 1.00 0.00 C ATOM 165 O SER A 25 -8.970 7.997 -18.139 1.00 0.00 O ATOM 166 CB SER A 25 -10.272 4.806 -18.011 1.00 0.00 C ATOM 167 OG SER A 25 -11.052 5.528 -18.956 1.00 0.00 O ATOM 0 H SER A 25 -9.420 5.626 -15.383 1.00 0.00 H new ATOM 0 HA SER A 25 -8.265 5.590 -18.139 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.861 3.908 -18.472 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.897 4.480 -17.180 1.00 0.00 H new ATOM 0 HG SER A 25 -11.777 4.957 -19.286 1.00 0.00 H new ATOM 168 N GLY A 26 -10.696 7.468 -16.876 1.00 0.00 N ATOM 169 CA GLY A 26 -11.190 8.881 -16.869 1.00 0.00 C ATOM 170 C GLY A 26 -9.994 9.819 -16.731 1.00 0.00 C ATOM 171 O GLY A 26 -9.991 10.930 -17.224 1.00 0.00 O ATOM 0 H GLY A 26 -11.267 6.807 -16.350 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.734 9.095 -17.789 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.886 9.033 -16.044 1.00 0.00 H new ATOM 172 N PHE A 27 -8.968 9.359 -16.074 1.00 0.00 N ATOM 173 CA PHE A 27 -7.745 10.184 -15.901 1.00 0.00 C ATOM 174 C PHE A 27 -6.531 9.302 -16.219 1.00 0.00 C ATOM 175 O PHE A 27 -6.668 8.127 -16.498 1.00 0.00 O ATOM 176 CB PHE A 27 -7.687 10.699 -14.448 1.00 0.00 C ATOM 177 CG PHE A 27 -6.778 9.825 -13.612 1.00 0.00 C ATOM 178 CD1 PHE A 27 -7.208 8.561 -13.190 1.00 0.00 C ATOM 179 CD2 PHE A 27 -5.498 10.276 -13.281 1.00 0.00 C ATOM 180 CE1 PHE A 27 -6.356 7.754 -12.431 1.00 0.00 C ATOM 181 CE2 PHE A 27 -4.645 9.471 -12.531 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.073 8.205 -12.102 1.00 0.00 C ATOM 0 H PHE A 27 -8.926 8.435 -15.645 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.751 11.045 -16.569 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.326 11.727 -14.435 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.689 10.707 -14.019 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.196 8.211 -13.450 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.169 11.252 -13.608 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.688 6.782 -12.098 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.655 9.820 -12.279 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.413 7.580 -11.519 1.00 0.00 H new ATOM 183 N THR A 28 -5.347 9.840 -16.157 1.00 0.00 N ATOM 184 CA THR A 28 -4.153 8.997 -16.433 1.00 0.00 C ATOM 185 C THR A 28 -3.687 8.369 -15.113 1.00 0.00 C ATOM 186 O THR A 28 -4.395 7.585 -14.515 1.00 0.00 O ATOM 187 CB THR A 28 -3.037 9.845 -17.054 1.00 0.00 C ATOM 188 OG1 THR A 28 -2.889 11.050 -16.316 1.00 0.00 O ATOM 189 CG2 THR A 28 -3.392 10.174 -18.505 1.00 0.00 C ATOM 0 H THR A 28 -5.155 10.816 -15.930 1.00 0.00 H new ATOM 0 HA THR A 28 -4.407 8.210 -17.143 1.00 0.00 H new ATOM 0 HB THR A 28 -2.101 9.287 -17.028 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.195 10.910 -15.396 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.598 10.777 -18.946 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.502 9.249 -19.071 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.329 10.731 -18.533 1.00 0.00 H new ATOM 190 N PHE A 29 -2.507 8.694 -14.650 1.00 0.00 N ATOM 191 CA PHE A 29 -2.015 8.101 -13.370 1.00 0.00 C ATOM 192 C PHE A 29 -0.887 8.979 -12.845 1.00 0.00 C ATOM 193 O PHE A 29 -0.816 9.304 -11.675 1.00 0.00 O ATOM 194 CB PHE A 29 -1.469 6.696 -13.621 1.00 0.00 C ATOM 195 CG PHE A 29 -2.157 6.113 -14.820 1.00 0.00 C ATOM 196 CD1 PHE A 29 -1.757 6.487 -16.109 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.218 5.223 -14.646 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.419 5.962 -17.213 1.00 0.00 C ATOM 199 CE2 PHE A 29 -3.871 4.704 -15.753 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.471 5.071 -17.032 1.00 0.00 C ATOM 0 H PHE A 29 -1.864 9.344 -15.102 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.832 8.044 -12.651 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.392 6.734 -13.786 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.635 6.066 -12.748 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.939 7.179 -16.245 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.529 4.939 -13.651 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.116 6.246 -18.210 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.691 4.014 -15.621 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.981 4.661 -17.892 1.00 0.00 H new ATOM 201 N SER A 30 -0.013 9.375 -13.725 1.00 0.00 N ATOM 202 CA SER A 30 1.120 10.250 -13.328 1.00 0.00 C ATOM 203 C SER A 30 0.760 11.685 -13.690 1.00 0.00 C ATOM 204 O SER A 30 1.155 12.625 -13.029 1.00 0.00 O ATOM 205 CB SER A 30 2.384 9.833 -14.084 1.00 0.00 C ATOM 206 OG SER A 30 3.509 9.956 -13.223 1.00 0.00 O ATOM 0 H SER A 30 -0.037 9.126 -14.714 1.00 0.00 H new ATOM 0 HA SER A 30 1.306 10.163 -12.257 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.290 8.805 -14.434 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.517 10.459 -14.966 1.00 0.00 H new ATOM 0 HG SER A 30 4.332 9.844 -13.743 1.00 0.00 H new ATOM 207 N SER A 31 -0.006 11.860 -14.734 1.00 0.00 N ATOM 208 CA SER A 31 -0.408 13.235 -15.125 1.00 0.00 C ATOM 209 C SER A 31 -1.030 13.916 -13.906 1.00 0.00 C ATOM 210 O SER A 31 -0.672 15.021 -13.551 1.00 0.00 O ATOM 211 CB SER A 31 -1.421 13.175 -16.268 1.00 0.00 C ATOM 212 OG SER A 31 -1.271 14.324 -17.091 1.00 0.00 O ATOM 0 H SER A 31 -0.367 11.113 -15.327 1.00 0.00 H new ATOM 0 HA SER A 31 0.460 13.800 -15.465 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.269 12.270 -16.856 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.434 13.129 -15.869 1.00 0.00 H new ATOM 0 HG SER A 31 -1.918 14.287 -17.826 1.00 0.00 H new ATOM 213 N TYR A 32 -1.945 13.255 -13.243 1.00 0.00 N ATOM 214 CA TYR A 32 -2.559 13.866 -12.032 1.00 0.00 C ATOM 215 C TYR A 32 -2.045 13.130 -10.793 1.00 0.00 C ATOM 216 O TYR A 32 -2.562 13.286 -9.704 1.00 0.00 O ATOM 217 CB TYR A 32 -4.081 13.755 -12.114 1.00 0.00 C ATOM 218 CG TYR A 32 -4.529 14.066 -13.519 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.322 13.133 -14.541 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.151 15.288 -13.802 1.00 0.00 C ATOM 221 CE1 TYR A 32 -4.738 13.422 -15.847 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.566 15.578 -15.107 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.359 14.644 -16.130 1.00 0.00 C ATOM 224 OH TYR A 32 -5.770 14.929 -17.417 1.00 0.00 O ATOM 0 H TYR A 32 -2.289 12.326 -13.487 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.288 14.920 -11.969 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.399 12.751 -11.832 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.546 14.446 -11.411 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.842 12.191 -14.323 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.311 16.008 -13.013 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.579 12.702 -16.636 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.045 16.521 -15.325 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.183 15.818 -17.439 1.00 0.00 H new ATOM 225 N ALA A 33 -1.020 12.338 -10.955 1.00 0.00 N ATOM 226 CA ALA A 33 -0.448 11.594 -9.797 1.00 0.00 C ATOM 227 C ALA A 33 -1.475 10.594 -9.255 1.00 0.00 C ATOM 228 O ALA A 33 -2.605 10.546 -9.698 1.00 0.00 O ATOM 229 CB ALA A 33 -0.061 12.588 -8.703 1.00 0.00 C ATOM 0 H ALA A 33 -0.551 12.174 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 33 0.436 11.045 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.358 12.049 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.681 13.286 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.945 13.139 -8.383 1.00 0.00 H new ATOM 230 N MET A 34 -1.083 9.788 -8.301 1.00 0.00 N ATOM 231 CA MET A 34 -2.016 8.785 -7.730 1.00 0.00 C ATOM 232 C MET A 34 -1.185 7.836 -6.867 1.00 0.00 C ATOM 233 O MET A 34 -0.042 7.576 -7.163 1.00 0.00 O ATOM 234 CB MET A 34 -2.709 8.030 -8.876 1.00 0.00 C ATOM 235 CG MET A 34 -2.998 6.586 -8.467 1.00 0.00 C ATOM 236 SD MET A 34 -1.530 5.576 -8.767 1.00 0.00 S ATOM 237 CE MET A 34 -2.394 4.000 -8.949 1.00 0.00 C ATOM 0 H MET A 34 -0.148 9.786 -7.894 1.00 0.00 H new ATOM 0 HA MET A 34 -2.791 9.253 -7.123 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.639 8.533 -9.140 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.076 8.043 -9.763 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.274 6.543 -7.414 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.843 6.197 -9.035 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.692 3.237 -9.284 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.819 3.705 -7.990 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.193 4.106 -9.683 1.00 0.00 H new ATOM 238 N SER A 35 -1.732 7.321 -5.806 1.00 0.00 N ATOM 239 CA SER A 35 -0.929 6.407 -4.941 1.00 0.00 C ATOM 240 C SER A 35 -1.663 5.092 -4.776 1.00 0.00 C ATOM 241 O SER A 35 -2.821 4.995 -5.123 1.00 0.00 O ATOM 242 CB SER A 35 -0.738 7.057 -3.574 1.00 0.00 C ATOM 243 OG SER A 35 -0.040 8.284 -3.732 1.00 0.00 O ATOM 0 H SER A 35 -2.690 7.488 -5.499 1.00 0.00 H new ATOM 0 HA SER A 35 0.042 6.223 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.705 7.233 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.181 6.390 -2.916 1.00 0.00 H new ATOM 0 HG SER A 35 0.502 8.457 -2.934 1.00 0.00 H new ATOM 244 N TRP A 36 -1.041 4.055 -4.263 1.00 0.00 N ATOM 245 CA TRP A 36 -1.847 2.826 -4.157 1.00 0.00 C ATOM 246 C TRP A 36 -1.191 1.659 -3.402 1.00 0.00 C ATOM 247 O TRP A 36 0.026 1.575 -3.201 1.00 0.00 O ATOM 248 CB TRP A 36 -2.249 2.425 -5.565 1.00 0.00 C ATOM 249 CG TRP A 36 -1.288 1.504 -6.191 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.133 1.850 -6.800 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.432 0.072 -6.337 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.435 0.718 -7.314 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.324 -0.416 -7.046 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.416 -0.843 -5.910 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.200 -1.777 -7.336 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.289 -2.203 -6.192 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.185 -2.670 -6.905 1.00 0.00 C ATOM 0 H TRP A 36 -0.076 4.014 -3.937 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.713 3.057 -3.537 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.232 1.954 -5.537 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.342 3.320 -6.180 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.272 2.849 -6.869 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.313 0.706 -7.833 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.275 -0.488 -5.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.653 -2.138 -7.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.047 -2.896 -5.858 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.091 -3.723 -7.124 1.00 0.00 H new ATOM 258 N VAL A 37 -2.082 0.775 -2.984 1.00 0.00 N ATOM 259 CA VAL A 37 -1.764 -0.456 -2.203 1.00 0.00 C ATOM 260 C VAL A 37 -2.235 -0.224 -0.751 1.00 0.00 C ATOM 261 O VAL A 37 -2.838 0.779 -0.513 1.00 0.00 O ATOM 262 CB VAL A 37 -0.271 -0.787 -2.294 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.015 -2.117 -1.624 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.143 -0.909 -3.755 1.00 0.00 C ATOM 0 H VAL A 37 -3.079 0.877 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.285 -1.322 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 37 0.297 0.006 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.046 -2.357 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.314 -2.061 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.593 -2.894 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.206 -1.144 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.432 -1.704 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.049 0.034 -4.267 1.00 0.00 H new ATOM 265 N ARG A 38 -2.004 -1.147 0.192 1.00 0.00 N ATOM 266 CA ARG A 38 -2.443 -0.985 1.632 1.00 0.00 C ATOM 267 C ARG A 38 -3.358 -2.130 2.098 1.00 0.00 C ATOM 268 O ARG A 38 -4.541 -1.939 2.293 1.00 0.00 O ATOM 269 CB ARG A 38 -3.163 0.345 1.918 1.00 0.00 C ATOM 270 CG ARG A 38 -2.144 1.381 2.411 1.00 0.00 C ATOM 271 CD ARG A 38 -1.486 2.091 1.224 1.00 0.00 C ATOM 272 NE ARG A 38 -2.483 2.976 0.556 1.00 0.00 N ATOM 273 CZ ARG A 38 -2.180 4.218 0.301 1.00 0.00 C ATOM 274 NH1 ARG A 38 -1.520 4.924 1.180 1.00 0.00 N ATOM 275 NH2 ARG A 38 -2.538 4.758 -0.832 1.00 0.00 N ATOM 0 H ARG A 38 -1.517 -2.024 0.008 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.508 -1.000 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.657 0.705 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.939 0.197 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.639 2.112 3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.382 0.891 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.634 2.679 1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.103 1.357 0.515 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.400 2.610 0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.241 4.503 2.067 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.283 5.896 0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.055 4.208 -1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.301 5.730 -1.031 1.00 0.00 H new ATOM 276 N GLN A 39 -2.810 -3.298 2.346 1.00 0.00 N ATOM 277 CA GLN A 39 -3.638 -4.425 2.869 1.00 0.00 C ATOM 278 C GLN A 39 -2.786 -5.695 2.923 1.00 0.00 C ATOM 279 O GLN A 39 -1.663 -5.712 2.460 1.00 0.00 O ATOM 280 CB GLN A 39 -4.858 -4.645 1.983 1.00 0.00 C ATOM 281 CG GLN A 39 -6.048 -5.032 2.864 1.00 0.00 C ATOM 282 CD GLN A 39 -6.756 -3.765 3.346 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.449 -3.265 4.511 1.00 0.00 O flip ATOM 284 NE2 GLN A 39 -7.593 -3.222 2.653 1.00 0.00 N flip ATOM 0 H GLN A 39 -1.823 -3.516 2.207 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.986 -4.179 3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.084 -3.739 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.658 -5.430 1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.742 -5.658 2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.707 -5.619 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.833 -3.613 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.056 -2.375 2.982 1.00 0.00 H new ATOM 285 N ALA A 40 -3.291 -6.755 3.497 1.00 0.00 N ATOM 286 CA ALA A 40 -2.477 -7.998 3.582 1.00 0.00 C ATOM 287 C ALA A 40 -3.247 -9.075 4.369 1.00 0.00 C ATOM 288 O ALA A 40 -4.328 -8.823 4.861 1.00 0.00 O ATOM 289 CB ALA A 40 -1.172 -7.657 4.299 1.00 0.00 C ATOM 0 H ALA A 40 -4.223 -6.812 3.907 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.269 -8.386 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.554 -8.552 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.636 -6.893 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.393 -7.282 5.298 1.00 0.00 H new ATOM 290 N PRO A 41 -2.658 -10.247 4.463 1.00 0.00 N ATOM 291 CA PRO A 41 -3.258 -11.394 5.185 1.00 0.00 C ATOM 292 C PRO A 41 -3.094 -11.203 6.691 1.00 0.00 C ATOM 293 O PRO A 41 -2.159 -11.704 7.286 1.00 0.00 O ATOM 294 CB PRO A 41 -2.417 -12.585 4.722 1.00 0.00 C ATOM 295 CG PRO A 41 -1.067 -11.997 4.252 1.00 0.00 C ATOM 296 CD PRO A 41 -1.342 -10.537 3.863 1.00 0.00 C ATOM 0 HA PRO A 41 -4.323 -11.515 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.271 -13.298 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.912 -13.121 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.321 -12.054 5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.673 -12.557 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.572 -9.870 4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.360 -10.409 2.781 1.00 0.00 H new ATOM 297 N GLY A 42 -3.964 -10.461 7.316 1.00 0.00 N ATOM 298 CA GLY A 42 -3.807 -10.230 8.780 1.00 0.00 C ATOM 299 C GLY A 42 -2.380 -9.766 9.038 1.00 0.00 C ATOM 300 O GLY A 42 -1.878 -9.825 10.142 1.00 0.00 O ATOM 0 H GLY A 42 -4.769 -10.008 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.519 -9.480 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.015 -11.146 9.334 1.00 0.00 H new ATOM 301 N LYS A 43 -1.736 -9.273 8.017 1.00 0.00 N ATOM 302 CA LYS A 43 -0.358 -8.764 8.173 1.00 0.00 C ATOM 303 C LYS A 43 -0.465 -7.244 8.215 1.00 0.00 C ATOM 304 O LYS A 43 0.468 -6.526 7.917 1.00 0.00 O ATOM 305 CB LYS A 43 0.491 -9.216 6.972 1.00 0.00 C ATOM 306 CG LYS A 43 1.856 -8.522 7.012 1.00 0.00 C ATOM 307 CD LYS A 43 2.860 -9.312 6.169 1.00 0.00 C ATOM 308 CE LYS A 43 4.283 -8.983 6.625 1.00 0.00 C ATOM 309 NZ LYS A 43 4.959 -8.148 5.592 1.00 0.00 N ATOM 0 H LYS A 43 -2.116 -9.203 7.073 1.00 0.00 H new ATOM 0 HA LYS A 43 0.118 -9.142 9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.622 -10.298 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.022 -8.976 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.769 -7.504 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.208 -8.449 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.673 -10.381 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.739 -9.065 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.257 -8.452 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.845 -9.903 6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.880 -7.827 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.103 -8.711 4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.367 -7.322 5.371 1.00 0.00 H new ATOM 310 N GLU A 44 -1.628 -6.757 8.574 1.00 0.00 N ATOM 311 CA GLU A 44 -1.846 -5.292 8.628 1.00 0.00 C ATOM 312 C GLU A 44 -1.681 -4.738 7.212 1.00 0.00 C ATOM 313 O GLU A 44 -1.300 -5.454 6.308 1.00 0.00 O ATOM 314 CB GLU A 44 -0.846 -4.679 9.623 1.00 0.00 C ATOM 315 CG GLU A 44 0.229 -3.852 8.906 1.00 0.00 C ATOM 316 CD GLU A 44 1.263 -3.368 9.924 1.00 0.00 C ATOM 317 OE1 GLU A 44 0.950 -2.452 10.669 1.00 0.00 O ATOM 318 OE2 GLU A 44 2.351 -3.920 9.944 1.00 0.00 O ATOM 0 H GLU A 44 -2.437 -7.322 8.832 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.847 -5.040 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.379 -4.047 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.371 -5.474 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.714 -4.454 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.228 -3.000 8.403 1.00 0.00 H new ATOM 319 N ARG A 45 -1.982 -3.491 6.996 1.00 0.00 N ATOM 320 CA ARG A 45 -1.849 -2.943 5.616 1.00 0.00 C ATOM 321 C ARG A 45 -0.476 -3.263 5.062 1.00 0.00 C ATOM 322 O ARG A 45 0.323 -3.953 5.661 1.00 0.00 O ATOM 323 CB ARG A 45 -1.973 -1.428 5.605 1.00 0.00 C ATOM 324 CG ARG A 45 -3.359 -1.016 5.122 1.00 0.00 C ATOM 325 CD ARG A 45 -3.707 0.352 5.706 1.00 0.00 C ATOM 326 NE ARG A 45 -5.141 0.374 6.105 1.00 0.00 N ATOM 327 CZ ARG A 45 -5.890 1.396 5.791 1.00 0.00 C ATOM 328 NH1 ARG A 45 -5.780 2.515 6.454 1.00 0.00 N ATOM 329 NH2 ARG A 45 -6.749 1.298 4.815 1.00 0.00 N ATOM 0 H ARG A 45 -2.310 -2.833 7.703 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.642 -3.394 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.797 -1.034 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.211 -0.998 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.381 -0.976 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.099 -1.755 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.076 0.561 6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.511 1.133 4.971 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.538 -0.409 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.108 2.591 7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.366 3.313 6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.835 0.423 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.335 2.096 4.569 1.00 0.00 H new ATOM 330 N GLU A 46 -0.204 -2.727 3.917 1.00 0.00 N ATOM 331 CA GLU A 46 1.103 -2.937 3.275 1.00 0.00 C ATOM 332 C GLU A 46 1.059 -2.249 1.920 1.00 0.00 C ATOM 333 O GLU A 46 0.540 -2.789 0.966 1.00 0.00 O ATOM 334 CB GLU A 46 1.350 -4.433 3.096 1.00 0.00 C ATOM 335 CG GLU A 46 2.814 -4.669 2.716 1.00 0.00 C ATOM 336 CD GLU A 46 3.639 -4.915 3.981 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.250 -4.415 5.024 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.645 -5.599 3.886 1.00 0.00 O ATOM 0 H GLU A 46 -0.849 -2.139 3.389 1.00 0.00 H new ATOM 0 HA GLU A 46 1.908 -2.527 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.113 -4.964 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.694 -4.830 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.893 -5.525 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.204 -3.806 2.177 1.00 0.00 H new ATOM 339 N ILE A 47 1.581 -1.054 1.837 1.00 0.00 N ATOM 340 CA ILE A 47 1.563 -0.328 0.541 1.00 0.00 C ATOM 341 C ILE A 47 2.618 -0.940 -0.360 1.00 0.00 C ATOM 342 O ILE A 47 3.389 -1.788 0.045 1.00 0.00 O ATOM 343 CB ILE A 47 1.914 1.159 0.757 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.422 1.994 -0.447 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.428 1.314 0.904 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.589 2.377 -1.394 1.00 0.00 C ATOM 0 H ILE A 47 2.017 -0.553 2.611 1.00 0.00 H new ATOM 0 HA ILE A 47 0.570 -0.404 0.097 1.00 0.00 H new ATOM 0 HB ILE A 47 1.424 1.514 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.674 1.427 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.933 2.899 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.673 2.365 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.772 0.733 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.920 0.954 0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.203 2.963 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.324 2.966 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.061 1.471 -1.775 1.00 0.00 H new ATOM 347 N VAL A 48 2.693 -0.480 -1.558 1.00 0.00 N ATOM 348 CA VAL A 48 3.736 -0.975 -2.457 1.00 0.00 C ATOM 349 C VAL A 48 4.302 0.211 -3.218 1.00 0.00 C ATOM 350 O VAL A 48 5.488 0.290 -3.452 1.00 0.00 O ATOM 351 CB VAL A 48 3.192 -2.005 -3.418 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.345 -2.463 -4.293 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.655 -3.198 -2.626 1.00 0.00 C ATOM 0 H VAL A 48 2.071 0.224 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 48 4.517 -1.463 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 48 2.388 -1.587 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.989 -3.210 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.750 -1.610 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.125 -2.898 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.261 -3.945 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.461 -3.637 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.860 -2.864 -1.960 1.00 0.00 H new ATOM 354 N SER A 49 3.495 1.169 -3.590 1.00 0.00 N ATOM 355 CA SER A 49 4.105 2.319 -4.292 1.00 0.00 C ATOM 356 C SER A 49 3.074 3.341 -4.733 1.00 0.00 C ATOM 357 O SER A 49 1.889 3.080 -4.829 1.00 0.00 O ATOM 358 CB SER A 49 4.883 1.832 -5.515 1.00 0.00 C ATOM 359 OG SER A 49 4.585 0.464 -5.752 1.00 0.00 O ATOM 0 H SER A 49 2.486 1.203 -3.444 1.00 0.00 H new ATOM 0 HA SER A 49 4.776 2.805 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.620 2.429 -6.388 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.953 1.959 -5.353 1.00 0.00 H new ATOM 0 HG SER A 49 5.410 -0.018 -5.969 1.00 0.00 H new ATOM 360 N ALA A 50 3.550 4.520 -5.003 1.00 0.00 N ATOM 361 CA ALA A 50 2.646 5.610 -5.456 1.00 0.00 C ATOM 362 C ALA A 50 3.476 6.709 -6.132 1.00 0.00 C ATOM 363 O ALA A 50 4.687 6.640 -6.183 1.00 0.00 O ATOM 364 CB ALA A 50 1.885 6.169 -4.252 1.00 0.00 C ATOM 0 H ALA A 50 4.534 4.778 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 50 1.925 5.224 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.221 6.969 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.297 5.375 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.594 6.563 -3.524 1.00 0.00 H new ATOM 365 N VAL A 51 2.836 7.715 -6.665 1.00 0.00 N ATOM 366 CA VAL A 51 3.583 8.806 -7.348 1.00 0.00 C ATOM 367 C VAL A 51 2.746 10.080 -7.291 1.00 0.00 C ATOM 368 O VAL A 51 1.879 10.300 -8.112 1.00 0.00 O ATOM 369 CB VAL A 51 3.827 8.423 -8.810 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.539 7.855 -9.411 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.251 9.664 -9.601 1.00 0.00 C ATOM 0 H VAL A 51 1.822 7.827 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 51 4.542 8.965 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 51 4.616 7.672 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.713 7.582 -10.452 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.235 6.971 -8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.751 8.606 -9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.425 9.390 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.463 10.415 -9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.168 10.071 -9.175 1.00 0.00 H new ATOM 372 N SER A 52 2.986 10.916 -6.325 1.00 0.00 N ATOM 373 CA SER A 52 2.183 12.165 -6.225 1.00 0.00 C ATOM 374 C SER A 52 3.096 13.376 -6.034 1.00 0.00 C ATOM 375 O SER A 52 4.304 13.275 -6.096 1.00 0.00 O ATOM 376 CB SER A 52 1.229 12.060 -5.040 1.00 0.00 C ATOM 377 OG SER A 52 1.388 10.793 -4.414 1.00 0.00 O ATOM 0 H SER A 52 3.697 10.792 -5.604 1.00 0.00 H new ATOM 0 HA SER A 52 1.618 12.293 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.430 12.858 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.200 12.185 -5.376 1.00 0.00 H new ATOM 0 HG SER A 52 2.177 10.812 -3.833 1.00 0.00 H new ATOM 378 N GLY A 53 2.517 14.524 -5.807 1.00 0.00 N ATOM 379 CA GLY A 53 3.340 15.754 -5.615 1.00 0.00 C ATOM 380 C GLY A 53 4.096 16.056 -6.906 1.00 0.00 C ATOM 381 O GLY A 53 5.305 15.951 -6.967 1.00 0.00 O ATOM 0 H GLY A 53 1.508 14.664 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.701 16.596 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.041 15.612 -4.793 1.00 0.00 H new ATOM 382 N SER A 54 3.393 16.416 -7.946 1.00 0.00 N ATOM 383 CA SER A 54 4.075 16.704 -9.237 1.00 0.00 C ATOM 384 C SER A 54 4.810 15.444 -9.690 1.00 0.00 C ATOM 385 O SER A 54 5.675 15.485 -10.544 1.00 0.00 O ATOM 386 CB SER A 54 5.078 17.843 -9.047 1.00 0.00 C ATOM 387 OG SER A 54 4.415 19.087 -9.232 1.00 0.00 O ATOM 0 H SER A 54 2.379 16.522 -7.956 1.00 0.00 H new ATOM 0 HA SER A 54 3.342 17.000 -9.988 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.515 17.795 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.897 17.745 -9.759 1.00 0.00 H new ATOM 0 HG SER A 54 5.054 19.820 -9.109 1.00 0.00 H new ATOM 388 N GLY A 55 4.470 14.322 -9.117 1.00 0.00 N ATOM 389 CA GLY A 55 5.142 13.049 -9.498 1.00 0.00 C ATOM 390 C GLY A 55 6.393 12.856 -8.638 1.00 0.00 C ATOM 391 O GLY A 55 6.752 11.749 -8.291 1.00 0.00 O ATOM 0 H GLY A 55 3.752 14.233 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.460 12.210 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.413 13.070 -10.554 1.00 0.00 H new ATOM 392 N GLY A 56 7.057 13.925 -8.289 1.00 0.00 N ATOM 393 CA GLY A 56 8.280 13.796 -7.448 1.00 0.00 C ATOM 394 C GLY A 56 8.003 12.809 -6.315 1.00 0.00 C ATOM 395 O GLY A 56 8.755 11.883 -6.085 1.00 0.00 O ATOM 0 H GLY A 56 6.806 14.879 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.118 13.449 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.561 14.767 -7.041 1.00 0.00 H new ATOM 396 N SER A 57 6.920 12.995 -5.607 1.00 0.00 N ATOM 397 CA SER A 57 6.588 12.062 -4.494 1.00 0.00 C ATOM 398 C SER A 57 6.477 10.641 -5.047 1.00 0.00 C ATOM 399 O SER A 57 5.980 10.425 -6.135 1.00 0.00 O ATOM 400 CB SER A 57 5.256 12.465 -3.861 1.00 0.00 C ATOM 401 OG SER A 57 5.349 12.338 -2.449 1.00 0.00 O ATOM 0 H SER A 57 6.252 13.752 -5.752 1.00 0.00 H new ATOM 0 HA SER A 57 7.372 12.105 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.009 13.492 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.453 11.834 -4.242 1.00 0.00 H new ATOM 0 HG SER A 57 4.497 12.597 -2.040 1.00 0.00 H new ATOM 402 N THR A 58 6.925 9.672 -4.300 1.00 0.00 N ATOM 403 CA THR A 58 6.849 8.262 -4.766 1.00 0.00 C ATOM 404 C THR A 58 6.815 7.362 -3.540 1.00 0.00 C ATOM 405 O THR A 58 7.396 7.671 -2.518 1.00 0.00 O ATOM 406 CB THR A 58 8.071 7.931 -5.628 1.00 0.00 C ATOM 407 OG1 THR A 58 9.196 8.659 -5.154 1.00 0.00 O ATOM 408 CG2 THR A 58 7.789 8.310 -7.083 1.00 0.00 C ATOM 0 H THR A 58 7.344 9.799 -3.379 1.00 0.00 H new ATOM 0 HA THR A 58 5.954 8.110 -5.369 1.00 0.00 H new ATOM 0 HB THR A 58 8.280 6.863 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.979 8.446 -5.704 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.659 8.074 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.928 7.749 -7.445 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.579 9.378 -7.147 1.00 0.00 H new ATOM 409 N TYR A 59 6.125 6.266 -3.614 1.00 0.00 N ATOM 410 CA TYR A 59 6.046 5.382 -2.429 1.00 0.00 C ATOM 411 C TYR A 59 6.559 3.991 -2.760 1.00 0.00 C ATOM 412 O TYR A 59 6.591 3.588 -3.910 1.00 0.00 O ATOM 413 CB TYR A 59 4.613 5.321 -1.957 1.00 0.00 C ATOM 414 CG TYR A 59 4.589 5.693 -0.508 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.664 7.039 -0.130 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.504 4.692 0.453 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.650 7.376 1.230 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.490 5.020 1.808 1.00 0.00 C ATOM 419 CZ TYR A 59 4.562 6.366 2.201 1.00 0.00 C ATOM 420 OH TYR A 59 4.548 6.695 3.542 1.00 0.00 O ATOM 0 H TYR A 59 5.616 5.946 -4.438 1.00 0.00 H new ATOM 0 HA TYR A 59 6.674 5.786 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.991 6.004 -2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.206 4.320 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.732 7.812 -0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.449 3.657 0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.707 8.412 1.531 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.424 4.241 2.553 1.00 0.00 H new ATOM 0 HH TYR A 59 4.482 5.878 4.079 1.00 0.00 H new ATOM 421 N TYR A 60 7.003 3.283 -1.742 1.00 0.00 N ATOM 422 CA TYR A 60 7.589 1.920 -1.925 1.00 0.00 C ATOM 423 C TYR A 60 7.298 1.043 -0.701 1.00 0.00 C ATOM 424 O TYR A 60 8.184 0.769 0.083 1.00 0.00 O ATOM 425 CB TYR A 60 9.112 2.049 -2.019 1.00 0.00 C ATOM 426 CG TYR A 60 9.499 2.879 -3.209 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.209 4.243 -3.230 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.155 2.283 -4.284 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.571 5.019 -4.333 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.521 3.051 -5.392 1.00 0.00 C ATOM 431 CZ TYR A 60 10.229 4.423 -5.419 1.00 0.00 C ATOM 432 OH TYR A 60 10.589 5.183 -6.513 1.00 0.00 O ATOM 0 H TYR A 60 6.981 3.604 -0.774 1.00 0.00 H new ATOM 0 HA TYR A 60 7.158 1.477 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.501 2.505 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.562 1.059 -2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.704 4.700 -2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.381 1.227 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.345 6.075 -4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.028 2.589 -6.226 1.00 0.00 H new ATOM 0 HH TYR A 60 11.036 4.614 -7.174 1.00 0.00 H new ATOM 433 N ALA A 61 6.094 0.591 -0.517 1.00 0.00 N ATOM 434 CA ALA A 61 5.816 -0.271 0.672 1.00 0.00 C ATOM 435 C ALA A 61 6.308 0.428 1.939 1.00 0.00 C ATOM 436 O ALA A 61 6.646 1.595 1.929 1.00 0.00 O ATOM 437 CB ALA A 61 6.552 -1.601 0.531 1.00 0.00 C ATOM 0 H ALA A 61 5.296 0.774 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 61 4.742 -0.448 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.346 -2.225 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.212 -2.111 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.624 -1.418 0.462 1.00 0.00 H new ATOM 438 N ASP A 62 6.358 -0.286 3.030 1.00 0.00 N ATOM 439 CA ASP A 62 6.836 0.320 4.302 1.00 0.00 C ATOM 440 C ASP A 62 8.257 -0.175 4.597 1.00 0.00 C ATOM 441 O ASP A 62 8.882 0.239 5.553 1.00 0.00 O ATOM 442 CB ASP A 62 5.903 -0.094 5.443 1.00 0.00 C ATOM 443 CG ASP A 62 4.450 -0.027 4.965 1.00 0.00 C ATOM 444 OD1 ASP A 62 3.975 1.072 4.727 1.00 0.00 O ATOM 445 OD2 ASP A 62 3.838 -1.075 4.845 1.00 0.00 O ATOM 0 H ASP A 62 6.087 -1.267 3.094 1.00 0.00 H new ATOM 0 HA ASP A 62 6.840 1.406 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.142 -1.105 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.046 0.564 6.300 1.00 0.00 H new ATOM 446 N SER A 63 8.770 -1.062 3.784 1.00 0.00 N ATOM 447 CA SER A 63 10.148 -1.587 4.016 1.00 0.00 C ATOM 448 C SER A 63 10.808 -1.910 2.678 1.00 0.00 C ATOM 449 O SER A 63 11.819 -2.583 2.623 1.00 0.00 O ATOM 450 CB SER A 63 10.074 -2.872 4.834 1.00 0.00 C ATOM 451 OG SER A 63 8.787 -2.983 5.429 1.00 0.00 O ATOM 0 H SER A 63 8.293 -1.446 2.968 1.00 0.00 H new ATOM 0 HA SER A 63 10.727 -0.832 4.548 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.266 -3.734 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.844 -2.869 5.606 1.00 0.00 H new ATOM 0 HG SER A 63 8.739 -3.810 5.953 1.00 0.00 H new ATOM 452 N VAL A 64 10.243 -1.453 1.599 1.00 0.00 N ATOM 453 CA VAL A 64 10.838 -1.755 0.273 1.00 0.00 C ATOM 454 C VAL A 64 11.290 -0.449 -0.383 1.00 0.00 C ATOM 455 O VAL A 64 11.323 -0.324 -1.592 1.00 0.00 O ATOM 456 CB VAL A 64 9.802 -2.454 -0.613 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.521 -3.401 -1.573 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.832 -3.266 0.251 1.00 0.00 C ATOM 0 H VAL A 64 9.396 -0.884 1.578 1.00 0.00 H new ATOM 0 HA VAL A 64 11.696 -2.415 0.398 1.00 0.00 H new ATOM 0 HB VAL A 64 9.245 -1.701 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.789 -3.902 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.211 -2.832 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.076 -4.145 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.100 -3.759 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.387 -4.017 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.318 -2.600 0.945 1.00 0.00 H new ATOM 459 N LYS A 65 11.638 0.524 0.414 1.00 0.00 N ATOM 460 CA LYS A 65 12.092 1.829 -0.146 1.00 0.00 C ATOM 461 C LYS A 65 13.188 1.588 -1.187 1.00 0.00 C ATOM 462 O LYS A 65 14.254 1.097 -0.875 1.00 0.00 O ATOM 463 CB LYS A 65 12.652 2.696 0.985 1.00 0.00 C ATOM 464 CG LYS A 65 13.801 1.956 1.673 1.00 0.00 C ATOM 465 CD LYS A 65 13.561 1.926 3.184 1.00 0.00 C ATOM 466 CE LYS A 65 12.895 0.604 3.570 1.00 0.00 C ATOM 467 NZ LYS A 65 13.340 0.200 4.934 1.00 0.00 N ATOM 0 H LYS A 65 11.627 0.471 1.433 1.00 0.00 H new ATOM 0 HA LYS A 65 11.249 2.335 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.004 3.648 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.867 2.923 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.876 0.940 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.748 2.450 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.506 2.038 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.929 2.763 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.811 0.711 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.154 -0.170 2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.887 -0.699 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.373 0.081 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.071 0.935 5.619 1.00 0.00 H new ATOM 468 N GLY A 66 12.934 1.928 -2.421 1.00 0.00 N ATOM 469 CA GLY A 66 13.966 1.718 -3.479 1.00 0.00 C ATOM 470 C GLY A 66 13.836 0.304 -4.055 1.00 0.00 C ATOM 471 O GLY A 66 14.066 0.079 -5.226 1.00 0.00 O ATOM 0 H GLY A 66 12.059 2.341 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.844 2.456 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.963 1.861 -3.062 1.00 0.00 H new ATOM 472 N ARG A 67 13.471 -0.649 -3.241 1.00 0.00 N ATOM 473 CA ARG A 67 13.327 -2.045 -3.741 1.00 0.00 C ATOM 474 C ARG A 67 11.930 -2.231 -4.331 1.00 0.00 C ATOM 475 O ARG A 67 11.545 -3.320 -4.706 1.00 0.00 O ATOM 476 CB ARG A 67 13.521 -3.021 -2.580 1.00 0.00 C ATOM 477 CG ARG A 67 15.011 -3.150 -2.263 1.00 0.00 C ATOM 478 CD ARG A 67 15.187 -3.511 -0.788 1.00 0.00 C ATOM 479 NE ARG A 67 15.443 -4.974 -0.662 1.00 0.00 N ATOM 480 CZ ARG A 67 15.371 -5.548 0.508 1.00 0.00 C ATOM 481 NH1 ARG A 67 15.415 -4.826 1.592 1.00 0.00 N ATOM 482 NH2 ARG A 67 15.253 -6.845 0.592 1.00 0.00 N ATOM 0 H ARG A 67 13.266 -0.520 -2.250 1.00 0.00 H new ATOM 0 HA ARG A 67 14.076 -2.237 -4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.981 -2.669 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.108 -3.996 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.463 -3.916 -2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.523 -2.213 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.017 -2.948 -0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.294 -3.238 -0.226 1.00 0.00 H new ATOM 0 HE ARG A 67 15.674 -5.525 -1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.506 -3.812 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.359 -5.275 2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.217 -7.410 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.197 -7.294 1.506 1.00 0.00 H new ATOM 483 N PHE A 68 11.168 -1.176 -4.421 1.00 0.00 N ATOM 484 CA PHE A 68 9.799 -1.291 -4.990 1.00 0.00 C ATOM 485 C PHE A 68 9.702 -0.327 -6.169 1.00 0.00 C ATOM 486 O PHE A 68 10.449 0.623 -6.250 1.00 0.00 O ATOM 487 CB PHE A 68 8.773 -0.915 -3.913 1.00 0.00 C ATOM 488 CG PHE A 68 8.098 -2.151 -3.344 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.607 -3.434 -3.592 1.00 0.00 C ATOM 490 CD2 PHE A 68 6.942 -2.005 -2.567 1.00 0.00 C ATOM 491 CE1 PHE A 68 7.961 -4.556 -3.063 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.299 -3.130 -2.040 1.00 0.00 C ATOM 493 CZ PHE A 68 6.807 -4.405 -2.290 1.00 0.00 C ATOM 0 H PHE A 68 11.437 -0.238 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 68 9.598 -2.309 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.267 -0.366 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.021 -0.250 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.497 -3.556 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.545 -1.019 -2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.356 -5.543 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.409 -3.011 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.309 -5.274 -1.887 1.00 0.00 H new ATOM 494 N THR A 69 8.825 -0.559 -7.105 1.00 0.00 N ATOM 495 CA THR A 69 8.765 0.376 -8.266 1.00 0.00 C ATOM 496 C THR A 69 7.320 0.672 -8.672 1.00 0.00 C ATOM 497 O THR A 69 6.533 -0.221 -8.924 1.00 0.00 O ATOM 498 CB THR A 69 9.493 -0.257 -9.447 1.00 0.00 C ATOM 499 OG1 THR A 69 9.663 0.711 -10.473 1.00 0.00 O ATOM 500 CG2 THR A 69 8.663 -1.424 -9.969 1.00 0.00 C ATOM 0 H THR A 69 8.162 -1.334 -7.120 1.00 0.00 H new ATOM 0 HA THR A 69 9.237 1.315 -7.976 1.00 0.00 H new ATOM 0 HB THR A 69 10.473 -0.616 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.132 0.305 -11.231 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.174 -1.885 -10.814 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.534 -2.162 -9.177 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.686 -1.061 -10.289 1.00 0.00 H new ATOM 501 N ILE A 70 6.983 1.930 -8.772 1.00 0.00 N ATOM 502 CA ILE A 70 5.607 2.317 -9.202 1.00 0.00 C ATOM 503 C ILE A 70 5.559 2.308 -10.729 1.00 0.00 C ATOM 504 O ILE A 70 5.646 3.337 -11.368 1.00 0.00 O ATOM 505 CB ILE A 70 5.294 3.718 -8.690 1.00 0.00 C ATOM 506 CG1 ILE A 70 4.004 4.234 -9.337 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.450 4.633 -9.060 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.933 3.142 -9.297 1.00 0.00 C ATOM 0 H ILE A 70 7.606 2.712 -8.573 1.00 0.00 H new ATOM 0 HA ILE A 70 4.874 1.617 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 70 5.160 3.697 -7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.652 5.121 -8.811 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.196 4.530 -10.368 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.245 5.642 -8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.367 4.264 -8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.568 4.650 -10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.018 3.513 -9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.285 2.267 -9.843 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.732 2.867 -8.262 1.00 0.00 H new ATOM 509 N SER A 71 5.425 1.152 -11.324 1.00 0.00 N ATOM 510 CA SER A 71 5.377 1.086 -12.812 1.00 0.00 C ATOM 511 C SER A 71 4.057 1.683 -13.281 1.00 0.00 C ATOM 512 O SER A 71 3.052 1.575 -12.610 1.00 0.00 O ATOM 513 CB SER A 71 5.472 -0.371 -13.265 1.00 0.00 C ATOM 514 OG SER A 71 6.769 -0.616 -13.794 1.00 0.00 O ATOM 0 H SER A 71 5.347 0.255 -10.845 1.00 0.00 H new ATOM 0 HA SER A 71 6.211 1.644 -13.238 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.277 -1.038 -12.425 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.714 -0.579 -14.020 1.00 0.00 H new ATOM 0 HG SER A 71 6.833 -1.550 -14.084 1.00 0.00 H new ATOM 515 N ARG A 72 4.028 2.311 -14.422 1.00 0.00 N ATOM 516 CA ARG A 72 2.738 2.893 -14.872 1.00 0.00 C ATOM 517 C ARG A 72 2.598 2.833 -16.391 1.00 0.00 C ATOM 518 O ARG A 72 3.562 2.681 -17.116 1.00 0.00 O ATOM 519 CB ARG A 72 2.610 4.353 -14.419 1.00 0.00 C ATOM 520 CG ARG A 72 3.117 4.518 -12.984 1.00 0.00 C ATOM 521 CD ARG A 72 2.292 5.599 -12.281 1.00 0.00 C ATOM 522 NE ARG A 72 2.592 6.932 -12.881 1.00 0.00 N ATOM 523 CZ ARG A 72 3.799 7.207 -13.303 1.00 0.00 C ATOM 524 NH1 ARG A 72 4.751 7.456 -12.446 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.050 7.231 -14.583 1.00 0.00 N ATOM 0 H ARG A 72 4.822 2.444 -15.049 1.00 0.00 H new ATOM 0 HA ARG A 72 1.945 2.298 -14.419 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.179 4.998 -15.088 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.569 4.669 -14.481 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.036 3.574 -12.446 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.172 4.793 -12.987 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.229 5.378 -12.376 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.521 5.609 -11.215 1.00 0.00 H new ATOM 0 HE ARG A 72 1.853 7.631 -12.962 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.554 7.436 -11.445 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.692 7.670 -12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.306 7.036 -15.252 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.991 7.445 -14.914 1.00 0.00 H new ATOM 526 N ASP A 73 1.388 2.966 -16.873 1.00 0.00 N ATOM 527 CA ASP A 73 1.154 2.933 -18.339 1.00 0.00 C ATOM 528 C ASP A 73 0.114 4.003 -18.711 1.00 0.00 C ATOM 529 O ASP A 73 -1.081 3.872 -18.449 1.00 0.00 O ATOM 530 CB ASP A 73 0.679 1.543 -18.748 1.00 0.00 C ATOM 531 CG ASP A 73 1.872 0.586 -18.740 1.00 0.00 C ATOM 532 OD1 ASP A 73 2.603 0.591 -17.763 1.00 0.00 O ATOM 533 OD2 ASP A 73 2.035 -0.135 -19.710 1.00 0.00 O ATOM 0 H ASP A 73 0.550 3.097 -16.306 1.00 0.00 H new ATOM 0 HA ASP A 73 2.080 3.149 -18.871 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.090 1.191 -18.061 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.229 1.576 -19.740 1.00 0.00 H new ATOM 534 N ASN A 74 0.603 5.071 -19.293 1.00 0.00 N ATOM 535 CA ASN A 74 -0.240 6.237 -19.699 1.00 0.00 C ATOM 536 C ASN A 74 -1.436 5.825 -20.572 1.00 0.00 C ATOM 537 O ASN A 74 -2.545 5.670 -20.104 1.00 0.00 O ATOM 538 CB ASN A 74 0.633 7.177 -20.523 1.00 0.00 C ATOM 539 CG ASN A 74 1.341 8.169 -19.599 1.00 0.00 C ATOM 540 OD1 ASN A 74 1.294 9.362 -19.821 1.00 0.00 O ATOM 541 ND2 ASN A 74 2.002 7.725 -18.565 1.00 0.00 N ATOM 0 H ASN A 74 1.593 5.185 -19.511 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.628 6.704 -18.794 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.368 6.604 -21.088 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.022 7.714 -21.248 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.478 8.380 -17.945 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.042 6.723 -18.377 1.00 0.00 H new ATOM 542 N SER A 75 -1.221 5.692 -21.858 1.00 0.00 N ATOM 543 CA SER A 75 -2.339 5.342 -22.794 1.00 0.00 C ATOM 544 C SER A 75 -2.829 3.901 -22.596 1.00 0.00 C ATOM 545 O SER A 75 -3.466 3.340 -23.467 1.00 0.00 O ATOM 546 CB SER A 75 -1.856 5.507 -24.236 1.00 0.00 C ATOM 547 OG SER A 75 -2.855 6.177 -24.994 1.00 0.00 O ATOM 0 H SER A 75 -0.312 5.812 -22.305 1.00 0.00 H new ATOM 0 HA SER A 75 -3.172 6.013 -22.581 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.926 6.075 -24.257 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.644 4.532 -24.674 1.00 0.00 H new ATOM 0 HG SER A 75 -2.547 6.285 -25.918 1.00 0.00 H new ATOM 548 N LYS A 76 -2.563 3.297 -21.476 1.00 0.00 N ATOM 549 CA LYS A 76 -3.037 1.910 -21.251 1.00 0.00 C ATOM 550 C LYS A 76 -4.211 1.948 -20.274 1.00 0.00 C ATOM 551 O LYS A 76 -4.915 0.974 -20.095 1.00 0.00 O ATOM 552 CB LYS A 76 -1.903 1.084 -20.652 1.00 0.00 C ATOM 553 CG LYS A 76 -0.782 0.918 -21.690 1.00 0.00 C ATOM 554 CD LYS A 76 -0.056 2.255 -21.916 1.00 0.00 C ATOM 555 CE LYS A 76 -0.285 2.723 -23.353 1.00 0.00 C ATOM 556 NZ LYS A 76 0.976 2.564 -24.131 1.00 0.00 N ATOM 0 H LYS A 76 -2.036 3.706 -20.705 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.352 1.462 -22.193 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.516 1.574 -19.759 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.275 0.107 -20.344 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.072 0.165 -21.350 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.200 0.560 -22.631 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.425 3.004 -21.215 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.011 2.138 -21.726 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.085 2.143 -23.813 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.602 3.766 -23.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.823 2.882 -25.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.727 3.136 -23.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.259 1.563 -24.132 1.00 0.00 H new ATOM 557 N ASN A 77 -4.425 3.072 -19.639 1.00 0.00 N ATOM 558 CA ASN A 77 -5.538 3.189 -18.680 1.00 0.00 C ATOM 559 C ASN A 77 -5.146 2.530 -17.365 1.00 0.00 C ATOM 560 O ASN A 77 -5.994 2.090 -16.621 1.00 0.00 O ATOM 561 CB ASN A 77 -6.791 2.518 -19.250 1.00 0.00 C ATOM 562 CG ASN A 77 -6.930 2.870 -20.732 1.00 0.00 C ATOM 563 OD1 ASN A 77 -6.132 3.612 -21.270 1.00 0.00 O ATOM 564 ND2 ASN A 77 -7.918 2.370 -21.421 1.00 0.00 N ATOM 0 H ASN A 77 -3.864 3.916 -19.753 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.754 4.243 -18.504 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.725 1.437 -19.127 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.674 2.848 -18.703 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.020 2.602 -22.409 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.589 1.747 -20.972 1.00 0.00 H new ATOM 565 N THR A 78 -3.878 2.469 -17.034 1.00 0.00 N ATOM 566 CA THR A 78 -3.537 1.849 -15.726 1.00 0.00 C ATOM 567 C THR A 78 -2.031 1.793 -15.511 1.00 0.00 C ATOM 568 O THR A 78 -1.252 1.807 -16.441 1.00 0.00 O ATOM 569 CB THR A 78 -4.112 0.436 -15.688 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.498 -0.301 -14.640 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.853 -0.254 -17.028 1.00 0.00 C ATOM 0 H THR A 78 -3.095 2.809 -17.592 1.00 0.00 H new ATOM 0 HA THR A 78 -3.965 2.458 -14.930 1.00 0.00 H new ATOM 0 HB THR A 78 -5.186 0.484 -15.509 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.870 -1.207 -14.616 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.263 -1.264 -17.003 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.331 0.312 -17.827 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.780 -0.303 -17.211 1.00 0.00 H new ATOM 572 N LEU A 79 -1.621 1.720 -14.275 1.00 0.00 N ATOM 573 CA LEU A 79 -0.166 1.648 -13.976 1.00 0.00 C ATOM 574 C LEU A 79 0.127 0.324 -13.267 1.00 0.00 C ATOM 575 O LEU A 79 -0.738 -0.250 -12.660 1.00 0.00 O ATOM 576 CB LEU A 79 0.236 2.829 -13.085 1.00 0.00 C ATOM 577 CG LEU A 79 -0.691 2.898 -11.883 1.00 0.00 C ATOM 578 CD1 LEU A 79 0.007 3.648 -10.746 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.976 3.628 -12.280 1.00 0.00 C ATOM 0 H LEU A 79 -2.233 1.707 -13.459 1.00 0.00 H new ATOM 0 HA LEU A 79 0.409 1.699 -14.901 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.268 2.714 -12.755 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.184 3.759 -13.651 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.938 1.891 -11.547 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.656 3.699 -9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.921 3.122 -10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.254 4.658 -11.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.645 3.680 -11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.733 4.637 -12.613 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.466 3.087 -13.089 1.00 0.00 H new ATOM 580 N TYR A 80 1.324 -0.188 -13.358 1.00 0.00 N ATOM 581 CA TYR A 80 1.611 -1.505 -12.704 1.00 0.00 C ATOM 582 C TYR A 80 2.617 -1.353 -11.561 1.00 0.00 C ATOM 583 O TYR A 80 3.176 -0.301 -11.334 1.00 0.00 O ATOM 584 CB TYR A 80 2.182 -2.465 -13.749 1.00 0.00 C ATOM 585 CG TYR A 80 1.605 -2.148 -15.111 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.262 -1.763 -15.233 1.00 0.00 C ATOM 587 CD2 TYR A 80 2.408 -2.250 -16.253 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.274 -1.484 -16.494 1.00 0.00 C ATOM 589 CE2 TYR A 80 1.871 -1.966 -17.515 1.00 0.00 C ATOM 590 CZ TYR A 80 0.528 -1.586 -17.634 1.00 0.00 C ATOM 591 OH TYR A 80 -0.003 -1.310 -18.877 1.00 0.00 O ATOM 0 H TYR A 80 2.109 0.239 -13.849 1.00 0.00 H new ATOM 0 HA TYR A 80 0.680 -1.894 -12.291 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.268 -2.382 -13.777 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.948 -3.494 -13.476 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.358 -1.682 -14.353 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.442 -2.548 -16.161 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.309 -1.189 -16.587 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.492 -2.040 -18.396 1.00 0.00 H new ATOM 0 HH TYR A 80 0.705 -1.358 -19.553 1.00 0.00 H new ATOM 592 N LEU A 81 2.849 -2.413 -10.836 1.00 0.00 N ATOM 593 CA LEU A 81 3.814 -2.345 -9.703 1.00 0.00 C ATOM 594 C LEU A 81 4.738 -3.553 -9.717 1.00 0.00 C ATOM 595 O LEU A 81 4.292 -4.684 -9.635 1.00 0.00 O ATOM 596 CB LEU A 81 3.068 -2.410 -8.369 1.00 0.00 C ATOM 597 CG LEU A 81 2.593 -1.037 -7.924 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.373 -1.051 -6.405 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.633 0.023 -8.235 1.00 0.00 C ATOM 0 H LEU A 81 2.412 -3.323 -10.980 1.00 0.00 H new ATOM 0 HA LEU A 81 4.371 -1.414 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.212 -3.079 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.722 -2.834 -7.607 1.00 0.00 H new ATOM 0 HG LEU A 81 1.670 -0.806 -8.455 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.032 -0.069 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.621 -1.799 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.310 -1.295 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.269 0.997 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.560 -0.213 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.818 0.048 -9.309 1.00 0.00 H new ATOM 600 N GLN A 82 6.015 -3.328 -9.725 1.00 0.00 N ATOM 601 CA GLN A 82 6.955 -4.470 -9.631 1.00 0.00 C ATOM 602 C GLN A 82 7.434 -4.455 -8.182 1.00 0.00 C ATOM 603 O GLN A 82 8.262 -3.645 -7.803 1.00 0.00 O ATOM 604 CB GLN A 82 8.137 -4.294 -10.589 1.00 0.00 C ATOM 605 CG GLN A 82 7.661 -3.599 -11.867 1.00 0.00 C ATOM 606 CD GLN A 82 6.830 -4.582 -12.693 1.00 0.00 C ATOM 607 OE1 GLN A 82 5.778 -4.237 -13.193 1.00 0.00 O ATOM 608 NE2 GLN A 82 7.262 -5.802 -12.860 1.00 0.00 N ATOM 0 H GLN A 82 6.448 -2.407 -9.792 1.00 0.00 H new ATOM 0 HA GLN A 82 6.480 -5.412 -9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.920 -3.705 -10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.571 -5.265 -10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.066 -2.721 -11.618 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.516 -3.251 -12.446 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.145 -6.092 -12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.716 -6.465 -13.410 1.00 0.00 H new ATOM 609 N MET A 83 6.878 -5.283 -7.338 1.00 0.00 N ATOM 610 CA MET A 83 7.288 -5.217 -5.907 1.00 0.00 C ATOM 611 C MET A 83 8.048 -6.488 -5.488 1.00 0.00 C ATOM 612 O MET A 83 7.557 -7.590 -5.572 1.00 0.00 O ATOM 613 CB MET A 83 6.044 -4.998 -5.008 1.00 0.00 C ATOM 614 CG MET A 83 4.754 -4.913 -5.836 1.00 0.00 C ATOM 615 SD MET A 83 3.345 -5.182 -4.727 1.00 0.00 S ATOM 616 CE MET A 83 2.166 -4.106 -5.576 1.00 0.00 C ATOM 0 H MET A 83 6.175 -5.985 -7.570 1.00 0.00 H new ATOM 0 HA MET A 83 7.965 -4.372 -5.781 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.964 -5.816 -4.292 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.168 -4.081 -4.432 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.676 -3.939 -6.319 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.762 -5.662 -6.628 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.835 -3.321 -4.896 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.645 -3.655 -6.445 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.306 -4.692 -5.900 1.00 0.00 H new ATOM 617 N ASN A 84 9.257 -6.333 -5.025 1.00 0.00 N ATOM 618 CA ASN A 84 10.045 -7.521 -4.589 1.00 0.00 C ATOM 619 C ASN A 84 10.465 -7.337 -3.127 1.00 0.00 C ATOM 620 O ASN A 84 10.075 -6.382 -2.487 1.00 0.00 O ATOM 621 CB ASN A 84 11.290 -7.656 -5.469 1.00 0.00 C ATOM 622 CG ASN A 84 12.193 -6.440 -5.263 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.004 -5.414 -5.888 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.177 -6.511 -4.409 1.00 0.00 N ATOM 0 H ASN A 84 9.734 -5.436 -4.929 1.00 0.00 H new ATOM 0 HA ASN A 84 9.438 -8.421 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.829 -8.569 -5.218 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.001 -7.735 -6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.787 -5.706 -4.266 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.336 -7.371 -3.884 1.00 0.00 H new ATOM 625 N SER A 85 11.257 -8.248 -2.609 1.00 0.00 N ATOM 626 CA SER A 85 11.739 -8.165 -1.186 1.00 0.00 C ATOM 627 C SER A 85 10.903 -9.079 -0.282 1.00 0.00 C ATOM 628 O SER A 85 11.303 -9.392 0.822 1.00 0.00 O ATOM 629 CB SER A 85 11.663 -6.729 -0.662 1.00 0.00 C ATOM 630 OG SER A 85 10.352 -6.476 -0.175 1.00 0.00 O ATOM 0 H SER A 85 11.597 -9.062 -3.121 1.00 0.00 H new ATOM 0 HA SER A 85 12.779 -8.491 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.394 -6.581 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.910 -6.026 -1.457 1.00 0.00 H new ATOM 0 HG SER A 85 9.753 -6.294 -0.929 1.00 0.00 H new ATOM 631 N LEU A 86 9.752 -9.511 -0.730 1.00 0.00 N ATOM 632 CA LEU A 86 8.917 -10.410 0.124 1.00 0.00 C ATOM 633 C LEU A 86 9.769 -11.603 0.583 1.00 0.00 C ATOM 634 O LEU A 86 10.965 -11.626 0.380 1.00 0.00 O ATOM 635 CB LEU A 86 7.709 -10.900 -0.679 1.00 0.00 C ATOM 636 CG LEU A 86 6.619 -9.827 -0.654 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.623 -9.061 -1.979 1.00 0.00 C ATOM 638 CD2 LEU A 86 5.253 -10.488 -0.452 1.00 0.00 C ATOM 0 H LEU A 86 9.356 -9.283 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 86 8.561 -9.866 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.003 -11.113 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.330 -11.830 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 86 6.813 -9.135 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.846 -8.297 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.594 -8.587 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.432 -9.752 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.477 -9.722 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.060 -11.182 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.248 -11.031 0.493 1.00 0.00 H new ATOM 639 N ARG A 87 9.184 -12.591 1.213 1.00 0.00 N ATOM 640 CA ARG A 87 10.020 -13.741 1.677 1.00 0.00 C ATOM 641 C ARG A 87 9.254 -15.065 1.602 1.00 0.00 C ATOM 642 O ARG A 87 9.271 -15.843 2.535 1.00 0.00 O ATOM 643 CB ARG A 87 10.451 -13.494 3.123 1.00 0.00 C ATOM 644 CG ARG A 87 9.284 -13.787 4.074 1.00 0.00 C ATOM 645 CD ARG A 87 8.981 -12.546 4.914 1.00 0.00 C ATOM 646 NE ARG A 87 10.038 -12.378 5.950 1.00 0.00 N ATOM 647 CZ ARG A 87 10.007 -11.347 6.748 1.00 0.00 C ATOM 648 NH1 ARG A 87 9.216 -11.351 7.786 1.00 0.00 N ATOM 649 NH2 ARG A 87 10.766 -10.313 6.508 1.00 0.00 N ATOM 0 H ARG A 87 8.188 -12.653 1.423 1.00 0.00 H new ATOM 0 HA ARG A 87 10.888 -13.815 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.302 -14.129 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.778 -12.461 3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.401 -14.077 3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.533 -14.626 4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.938 -11.663 4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.004 -12.644 5.388 1.00 0.00 H new ATOM 0 HE ARG A 87 10.784 -13.068 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.623 -12.160 7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.191 -10.545 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.384 -10.311 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.742 -9.507 7.132 1.00 0.00 H new ATOM 650 N ALA A 88 8.599 -15.338 0.511 1.00 0.00 N ATOM 651 CA ALA A 88 7.851 -16.627 0.398 1.00 0.00 C ATOM 652 C ALA A 88 7.131 -16.913 1.706 1.00 0.00 C ATOM 653 O ALA A 88 7.168 -18.014 2.218 1.00 0.00 O ATOM 654 CB ALA A 88 8.829 -17.765 0.134 1.00 0.00 C ATOM 0 H ALA A 88 8.547 -14.730 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 88 7.134 -16.549 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.281 -18.704 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.365 -17.575 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.541 -17.831 0.957 1.00 0.00 H new ATOM 655 N GLU A 89 6.501 -15.933 2.267 1.00 0.00 N ATOM 656 CA GLU A 89 5.817 -16.160 3.554 1.00 0.00 C ATOM 657 C GLU A 89 5.165 -14.862 4.007 1.00 0.00 C ATOM 658 O GLU A 89 5.084 -14.570 5.184 1.00 0.00 O ATOM 659 CB GLU A 89 6.868 -16.603 4.564 1.00 0.00 C ATOM 660 CG GLU A 89 6.478 -17.964 5.134 1.00 0.00 C ATOM 661 CD GLU A 89 6.839 -18.021 6.619 1.00 0.00 C ATOM 662 OE1 GLU A 89 7.124 -16.975 7.180 1.00 0.00 O ATOM 663 OE2 GLU A 89 6.827 -19.108 7.171 1.00 0.00 O ATOM 0 H GLU A 89 6.430 -14.987 1.891 1.00 0.00 H new ATOM 0 HA GLU A 89 5.044 -16.923 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.846 -16.663 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.950 -15.870 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.409 -18.132 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.994 -18.757 4.593 1.00 0.00 H new ATOM 664 N ASP A 90 4.702 -14.075 3.078 1.00 0.00 N ATOM 665 CA ASP A 90 4.058 -12.791 3.456 1.00 0.00 C ATOM 666 C ASP A 90 3.089 -12.346 2.361 1.00 0.00 C ATOM 667 O ASP A 90 3.096 -11.201 1.955 1.00 0.00 O ATOM 668 CB ASP A 90 5.129 -11.716 3.647 1.00 0.00 C ATOM 669 CG ASP A 90 5.939 -11.570 2.358 1.00 0.00 C ATOM 670 OD1 ASP A 90 5.936 -12.502 1.569 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.549 -10.529 2.180 1.00 0.00 O ATOM 0 H ASP A 90 4.742 -14.266 2.077 1.00 0.00 H new ATOM 0 HA ASP A 90 3.508 -12.934 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.663 -10.765 3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.786 -11.985 4.474 1.00 0.00 H new ATOM 672 N THR A 91 2.246 -13.232 1.890 1.00 0.00 N ATOM 673 CA THR A 91 1.261 -12.840 0.838 1.00 0.00 C ATOM 674 C THR A 91 0.697 -11.465 1.218 1.00 0.00 C ATOM 675 O THR A 91 0.696 -11.100 2.376 1.00 0.00 O ATOM 676 CB THR A 91 0.152 -13.893 0.795 1.00 0.00 C ATOM 677 OG1 THR A 91 0.720 -15.154 0.467 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.890 -13.520 -0.258 1.00 0.00 C ATOM 0 H THR A 91 2.198 -14.206 2.188 1.00 0.00 H new ATOM 0 HA THR A 91 1.723 -12.782 -0.148 1.00 0.00 H new ATOM 0 HB THR A 91 -0.332 -13.943 1.770 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.014 -15.833 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.674 -14.277 -0.279 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.327 -12.552 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.414 -13.464 -1.237 1.00 0.00 H new ATOM 679 N ALA A 92 0.262 -10.670 0.276 1.00 0.00 N ATOM 680 CA ALA A 92 -0.228 -9.314 0.670 1.00 0.00 C ATOM 681 C ALA A 92 -1.517 -8.930 -0.057 1.00 0.00 C ATOM 682 O ALA A 92 -1.945 -9.576 -0.994 1.00 0.00 O ATOM 683 CB ALA A 92 0.853 -8.286 0.338 1.00 0.00 C ATOM 0 H ALA A 92 0.224 -10.889 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.443 -9.333 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.508 -7.291 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.763 -8.525 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.060 -8.308 -0.732 1.00 0.00 H new ATOM 684 N VAL A 93 -2.115 -7.850 0.375 1.00 0.00 N ATOM 685 CA VAL A 93 -3.361 -7.351 -0.260 1.00 0.00 C ATOM 686 C VAL A 93 -3.188 -5.838 -0.436 1.00 0.00 C ATOM 687 O VAL A 93 -2.694 -5.173 0.445 1.00 0.00 O ATOM 688 CB VAL A 93 -4.553 -7.667 0.647 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.835 -7.128 0.016 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.673 -9.183 0.816 1.00 0.00 C ATOM 0 H VAL A 93 -1.782 -7.285 1.157 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.546 -7.824 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.402 -7.198 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.682 -7.354 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.753 -6.048 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.987 -7.596 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.521 -9.411 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.824 -9.647 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.760 -9.572 1.266 1.00 0.00 H new ATOM 691 N TYR A 94 -3.534 -5.285 -1.565 1.00 0.00 N ATOM 692 CA TYR A 94 -3.297 -3.819 -1.758 1.00 0.00 C ATOM 693 C TYR A 94 -4.586 -3.086 -2.173 1.00 0.00 C ATOM 694 O TYR A 94 -5.479 -3.662 -2.751 1.00 0.00 O ATOM 695 CB TYR A 94 -2.242 -3.663 -2.858 1.00 0.00 C ATOM 696 CG TYR A 94 -1.061 -4.560 -2.584 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.620 -4.767 -1.272 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.394 -5.166 -3.648 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.487 -5.578 -1.023 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.717 -5.984 -3.400 1.00 0.00 C ATOM 701 CZ TYR A 94 1.158 -6.189 -2.088 1.00 0.00 C ATOM 702 OH TYR A 94 2.253 -6.995 -1.845 1.00 0.00 O ATOM 0 H TYR A 94 -3.963 -5.771 -2.352 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.961 -3.380 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.678 -3.910 -3.826 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.914 -2.625 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.139 -4.297 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.733 -5.006 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.826 -5.734 -0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.233 -6.457 -4.223 1.00 0.00 H new ATOM 0 HH TYR A 94 2.958 -6.794 -2.495 1.00 0.00 H new ATOM 703 N TYR A 95 -4.686 -1.803 -1.888 1.00 0.00 N ATOM 704 CA TYR A 95 -5.912 -1.045 -2.280 1.00 0.00 C ATOM 705 C TYR A 95 -5.496 0.274 -2.928 1.00 0.00 C ATOM 706 O TYR A 95 -4.856 1.100 -2.311 1.00 0.00 O ATOM 707 CB TYR A 95 -6.748 -0.759 -1.040 1.00 0.00 C ATOM 708 CG TYR A 95 -7.469 -2.014 -0.632 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.738 -3.111 -0.176 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.866 -2.085 -0.718 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.400 -4.285 0.197 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.528 -3.261 -0.343 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.794 -4.361 0.115 1.00 0.00 C ATOM 714 OH TYR A 95 -9.446 -5.521 0.483 1.00 0.00 O ATOM 0 H TYR A 95 -3.974 -1.257 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.500 -1.633 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.109 -0.411 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.464 0.037 -1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.661 -3.054 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.431 -1.235 -1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.834 -5.135 0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.605 -3.319 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.412 -5.404 0.366 1.00 0.00 H new ATOM 715 N CYS A 96 -5.835 0.471 -4.174 1.00 0.00 N ATOM 716 CA CYS A 96 -5.422 1.726 -4.861 1.00 0.00 C ATOM 717 C CYS A 96 -6.025 2.957 -4.194 1.00 0.00 C ATOM 718 O CYS A 96 -6.806 2.853 -3.270 1.00 0.00 O ATOM 719 CB CYS A 96 -5.833 1.682 -6.329 1.00 0.00 C ATOM 720 SG CYS A 96 -4.644 2.640 -7.300 1.00 0.00 S ATOM 0 H CYS A 96 -6.377 -0.180 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.337 1.800 -4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.863 0.651 -6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.836 2.090 -6.452 1.00 0.00 H new ATOM 721 N ALA A 97 -5.647 4.135 -4.645 1.00 0.00 N ATOM 722 CA ALA A 97 -6.192 5.367 -3.998 1.00 0.00 C ATOM 723 C ALA A 97 -5.529 6.633 -4.550 1.00 0.00 C ATOM 724 O ALA A 97 -4.424 6.605 -5.040 1.00 0.00 O ATOM 725 CB ALA A 97 -5.878 5.293 -2.506 1.00 0.00 C ATOM 0 H ALA A 97 -4.998 4.291 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.263 5.417 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.265 6.182 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.345 4.405 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.799 5.239 -2.364 1.00 0.00 H new ATOM 726 N ARG A 98 -6.186 7.757 -4.430 1.00 0.00 N ATOM 727 CA ARG A 98 -5.568 9.037 -4.899 1.00 0.00 C ATOM 728 C ARG A 98 -5.098 9.832 -3.679 1.00 0.00 C ATOM 729 O ARG A 98 -5.473 9.537 -2.563 1.00 0.00 O ATOM 730 CB ARG A 98 -6.583 9.881 -5.671 1.00 0.00 C ATOM 731 CG ARG A 98 -5.984 10.248 -7.029 1.00 0.00 C ATOM 732 CD ARG A 98 -7.026 10.044 -8.125 1.00 0.00 C ATOM 733 NE ARG A 98 -7.287 11.339 -8.809 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.412 11.823 -9.646 1.00 0.00 C ATOM 735 NH1 ARG A 98 -5.216 11.303 -9.714 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.734 12.828 -10.413 1.00 0.00 N ATOM 0 H ARG A 98 -7.120 7.846 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.732 8.802 -5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.512 9.326 -5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.829 10.783 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.649 11.285 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.107 9.632 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.673 9.305 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.949 9.655 -7.696 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.151 11.849 -8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.966 10.518 -9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.532 11.682 -10.369 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.668 13.233 -10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.051 13.208 -11.069 1.00 0.00 H new ATOM 737 N LEU A 99 -4.284 10.839 -3.867 1.00 0.00 N ATOM 738 CA LEU A 99 -3.823 11.629 -2.684 1.00 0.00 C ATOM 739 C LEU A 99 -3.369 13.037 -3.095 1.00 0.00 C ATOM 740 O LEU A 99 -2.198 13.318 -3.223 1.00 0.00 O ATOM 741 CB LEU A 99 -2.690 10.884 -1.947 1.00 0.00 C ATOM 742 CG LEU A 99 -1.425 10.691 -2.813 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.738 10.762 -4.313 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.393 11.762 -2.455 1.00 0.00 C ATOM 0 H LEU A 99 -3.923 11.145 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.667 11.739 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.425 11.438 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.055 9.908 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.028 9.698 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.820 10.621 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.451 9.979 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.166 11.736 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.499 11.626 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.814 12.750 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.128 11.674 -1.401 1.00 0.00 H new ATOM 745 N LYS A 100 -4.299 13.932 -3.282 1.00 0.00 N ATOM 746 CA LYS A 100 -3.936 15.328 -3.665 1.00 0.00 C ATOM 747 C LYS A 100 -4.999 16.280 -3.119 1.00 0.00 C ATOM 748 O LYS A 100 -4.755 17.068 -2.228 1.00 0.00 O ATOM 749 CB LYS A 100 -3.898 15.449 -5.191 1.00 0.00 C ATOM 750 CG LYS A 100 -2.676 14.714 -5.738 1.00 0.00 C ATOM 751 CD LYS A 100 -2.881 14.439 -7.226 1.00 0.00 C ATOM 752 CE LYS A 100 -3.886 13.300 -7.400 1.00 0.00 C ATOM 753 NZ LYS A 100 -3.162 11.999 -7.386 1.00 0.00 N ATOM 0 H LYS A 100 -5.299 13.757 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.957 15.578 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.808 15.031 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.862 16.499 -5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.778 15.313 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.529 13.778 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.243 15.337 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.932 14.175 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.625 13.327 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.428 13.418 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.223 11.557 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.164 12.160 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.593 11.370 -6.679 1.00 0.00 H new ATOM 754 N LYS A 101 -6.180 16.192 -3.654 1.00 0.00 N ATOM 755 CA LYS A 101 -7.296 17.059 -3.196 1.00 0.00 C ATOM 756 C LYS A 101 -8.481 16.793 -4.110 1.00 0.00 C ATOM 757 O LYS A 101 -9.226 15.854 -3.910 1.00 0.00 O ATOM 758 CB LYS A 101 -6.892 18.534 -3.266 1.00 0.00 C ATOM 759 CG LYS A 101 -8.091 19.407 -2.890 1.00 0.00 C ATOM 760 CD LYS A 101 -7.979 20.763 -3.588 1.00 0.00 C ATOM 761 CE LYS A 101 -8.703 21.828 -2.759 1.00 0.00 C ATOM 762 NZ LYS A 101 -7.754 22.424 -1.779 1.00 0.00 N ATOM 0 H LYS A 101 -6.424 15.544 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.551 16.837 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.060 18.727 -2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.549 18.781 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.018 18.913 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.128 19.545 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.931 21.034 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.414 20.707 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.102 22.604 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.550 21.384 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.245 23.147 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.393 21.680 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.959 22.862 -2.287 1.00 0.00 H new ATOM 763 N TYR A 102 -8.639 17.560 -5.151 1.00 0.00 N ATOM 764 CA TYR A 102 -9.747 17.265 -6.087 1.00 0.00 C ATOM 765 C TYR A 102 -9.569 15.804 -6.511 1.00 0.00 C ATOM 766 O TYR A 102 -10.487 15.153 -6.959 1.00 0.00 O ATOM 767 CB TYR A 102 -9.663 18.209 -7.303 1.00 0.00 C ATOM 768 CG TYR A 102 -10.024 17.480 -8.583 1.00 0.00 C ATOM 769 CD1 TYR A 102 -9.093 16.623 -9.186 1.00 0.00 C ATOM 770 CD2 TYR A 102 -11.285 17.660 -9.163 1.00 0.00 C ATOM 771 CE1 TYR A 102 -9.423 15.951 -10.367 1.00 0.00 C ATOM 772 CE2 TYR A 102 -11.615 16.987 -10.345 1.00 0.00 C ATOM 773 CZ TYR A 102 -10.683 16.132 -10.947 1.00 0.00 C ATOM 774 OH TYR A 102 -11.007 15.468 -12.112 1.00 0.00 O ATOM 0 H TYR A 102 -8.058 18.364 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.723 17.416 -5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.336 19.054 -7.159 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.655 18.615 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.120 16.482 -8.738 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -12.004 18.319 -8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -8.705 15.292 -10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.588 17.127 -10.793 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.920 15.704 -12.380 1.00 0.00 H new ATOM 775 N ALA A 103 -8.368 15.297 -6.364 1.00 0.00 N ATOM 776 CA ALA A 103 -8.078 13.894 -6.740 1.00 0.00 C ATOM 777 C ALA A 103 -7.853 13.064 -5.474 1.00 0.00 C ATOM 778 O ALA A 103 -6.730 12.853 -5.062 1.00 0.00 O ATOM 779 CB ALA A 103 -6.796 13.884 -7.559 1.00 0.00 C ATOM 0 H ALA A 103 -7.570 15.812 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.909 13.477 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.558 12.861 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.930 14.494 -8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.980 14.290 -6.962 1.00 0.00 H new ATOM 780 N PHE A 104 -8.898 12.592 -4.852 1.00 0.00 N ATOM 781 CA PHE A 104 -8.715 11.776 -3.615 1.00 0.00 C ATOM 782 C PHE A 104 -10.080 11.374 -3.055 1.00 0.00 C ATOM 783 O PHE A 104 -10.839 12.210 -2.612 1.00 0.00 O ATOM 784 CB PHE A 104 -7.956 12.594 -2.567 1.00 0.00 C ATOM 785 CG PHE A 104 -7.341 11.673 -1.533 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.671 10.311 -1.513 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.433 12.184 -0.596 1.00 0.00 C ATOM 788 CE1 PHE A 104 -7.095 9.464 -0.562 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.856 11.335 0.355 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.188 9.975 0.372 1.00 0.00 C ATOM 0 H PHE A 104 -9.865 12.734 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.146 10.879 -3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.177 13.184 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.634 13.297 -2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.371 9.915 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.178 13.233 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.350 8.415 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.155 11.729 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.743 9.320 1.107 1.00 0.00 H new ATOM 791 N ASP A 105 -10.373 10.094 -3.075 1.00 0.00 N ATOM 792 CA ASP A 105 -11.676 9.563 -2.554 1.00 0.00 C ATOM 793 C ASP A 105 -12.155 8.437 -3.475 1.00 0.00 C ATOM 794 O ASP A 105 -13.111 7.746 -3.182 1.00 0.00 O ATOM 795 CB ASP A 105 -12.746 10.662 -2.519 1.00 0.00 C ATOM 796 CG ASP A 105 -14.119 10.031 -2.272 1.00 0.00 C ATOM 797 OD1 ASP A 105 -14.177 9.053 -1.545 1.00 0.00 O ATOM 798 OD2 ASP A 105 -15.087 10.537 -2.815 1.00 0.00 O ATOM 0 H ASP A 105 -9.747 9.377 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.521 9.196 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.518 11.381 -1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.750 11.210 -3.461 1.00 0.00 H new ATOM 799 N TYR A 106 -11.503 8.255 -4.592 1.00 0.00 N ATOM 800 CA TYR A 106 -11.921 7.185 -5.539 1.00 0.00 C ATOM 801 C TYR A 106 -11.181 5.887 -5.213 1.00 0.00 C ATOM 802 O TYR A 106 -10.887 5.598 -4.070 1.00 0.00 O ATOM 803 CB TYR A 106 -11.587 7.607 -6.973 1.00 0.00 C ATOM 804 CG TYR A 106 -11.623 9.111 -7.088 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.818 9.756 -7.419 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.460 9.856 -6.867 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.851 11.150 -7.529 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.490 11.248 -6.978 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.688 11.897 -7.308 1.00 0.00 C ATOM 810 OH TYR A 106 -11.722 13.268 -7.420 1.00 0.00 O ATOM 0 H TYR A 106 -10.696 8.804 -4.889 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.995 7.026 -5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.600 7.236 -7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.301 7.163 -7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.715 9.179 -7.590 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.538 9.355 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.774 11.650 -7.784 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.592 11.823 -6.810 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.073 13.663 -6.801 1.00 0.00 H new ATOM 811 N TRP A 107 -10.884 5.100 -6.214 1.00 0.00 N ATOM 812 CA TRP A 107 -10.173 3.815 -5.977 1.00 0.00 C ATOM 813 C TRP A 107 -10.948 2.990 -4.948 1.00 0.00 C ATOM 814 O TRP A 107 -11.814 3.493 -4.259 1.00 0.00 O ATOM 815 CB TRP A 107 -8.764 4.083 -5.464 1.00 0.00 C ATOM 816 CG TRP A 107 -8.115 5.132 -6.307 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.159 6.447 -6.048 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.346 4.990 -7.539 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.430 7.122 -6.999 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.915 6.272 -7.949 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.970 3.890 -8.324 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.143 6.455 -9.099 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.190 4.068 -9.480 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.779 5.347 -9.868 1.00 0.00 C ATOM 0 H TRP A 107 -11.106 5.296 -7.190 1.00 0.00 H new ATOM 0 HA TRP A 107 -10.107 3.263 -6.915 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.800 4.409 -4.424 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.176 3.166 -5.490 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.684 6.904 -5.222 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.288 8.132 -6.999 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.283 2.897 -8.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -5.830 7.446 -9.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.906 3.211 -10.073 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.182 5.478 -10.759 1.00 0.00 H new ATOM 825 N GLY A 108 -10.650 1.727 -4.833 1.00 0.00 N ATOM 826 CA GLY A 108 -11.378 0.885 -3.844 1.00 0.00 C ATOM 827 C GLY A 108 -11.805 -0.432 -4.494 1.00 0.00 C ATOM 828 O GLY A 108 -12.536 -0.452 -5.464 1.00 0.00 O ATOM 0 H GLY A 108 -9.937 1.243 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.739 0.685 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.254 1.418 -3.474 1.00 0.00 H new ATOM 829 N GLN A 109 -11.356 -1.531 -3.957 1.00 0.00 N ATOM 830 CA GLN A 109 -11.728 -2.856 -4.524 1.00 0.00 C ATOM 831 C GLN A 109 -10.921 -3.938 -3.809 1.00 0.00 C ATOM 832 O GLN A 109 -11.449 -4.945 -3.381 1.00 0.00 O ATOM 833 CB GLN A 109 -11.408 -2.887 -6.020 1.00 0.00 C ATOM 834 CG GLN A 109 -12.542 -3.590 -6.771 1.00 0.00 C ATOM 835 CD GLN A 109 -11.953 -4.647 -7.707 1.00 0.00 C ATOM 836 OE1 GLN A 109 -12.436 -5.761 -7.764 1.00 0.00 O ATOM 837 NE2 GLN A 109 -10.922 -4.343 -8.447 1.00 0.00 N ATOM 0 H GLN A 109 -10.742 -1.568 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.795 -3.031 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.283 -1.872 -6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.466 -3.409 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.227 -4.056 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -13.120 -2.864 -7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.517 -3.408 -8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.521 -5.040 -9.074 1.00 0.00 H new ATOM 838 N GLY A 110 -9.641 -3.728 -3.666 1.00 0.00 N ATOM 839 CA GLY A 110 -8.793 -4.732 -2.968 1.00 0.00 C ATOM 840 C GLY A 110 -8.081 -5.618 -3.992 1.00 0.00 C ATOM 841 O GLY A 110 -8.678 -6.102 -4.933 1.00 0.00 O ATOM 0 H GLY A 110 -9.146 -2.902 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.060 -4.227 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.408 -5.345 -2.310 1.00 0.00 H new ATOM 842 N THR A 111 -6.813 -5.852 -3.798 1.00 0.00 N ATOM 843 CA THR A 111 -6.053 -6.720 -4.726 1.00 0.00 C ATOM 844 C THR A 111 -5.109 -7.551 -3.872 1.00 0.00 C ATOM 845 O THR A 111 -5.314 -7.677 -2.681 1.00 0.00 O ATOM 846 CB THR A 111 -5.261 -5.867 -5.720 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.830 -6.682 -6.801 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.048 -5.262 -5.021 1.00 0.00 C ATOM 0 H THR A 111 -6.268 -5.471 -3.024 1.00 0.00 H new ATOM 0 HA THR A 111 -6.722 -7.359 -5.303 1.00 0.00 H new ATOM 0 HB THR A 111 -5.895 -5.066 -6.099 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.324 -6.138 -7.440 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.485 -4.655 -5.730 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.380 -4.637 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.411 -6.061 -4.641 1.00 0.00 H new ATOM 849 N LEU A 112 -4.084 -8.121 -4.432 1.00 0.00 N ATOM 850 CA LEU A 112 -3.188 -8.940 -3.582 1.00 0.00 C ATOM 851 C LEU A 112 -2.109 -9.611 -4.418 1.00 0.00 C ATOM 852 O LEU A 112 -1.873 -9.278 -5.562 1.00 0.00 O ATOM 853 CB LEU A 112 -4.032 -10.044 -2.974 1.00 0.00 C ATOM 854 CG LEU A 112 -4.610 -10.831 -4.144 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.753 -12.075 -4.390 1.00 0.00 C ATOM 856 CD2 LEU A 112 -6.050 -11.243 -3.832 1.00 0.00 C ATOM 0 H LEU A 112 -3.832 -8.058 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.720 -8.301 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.429 -10.687 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.826 -9.630 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.608 -10.207 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.164 -12.640 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.732 -11.773 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.752 -12.699 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.458 -11.805 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.065 -11.866 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.655 -10.352 -3.664 1.00 0.00 H new ATOM 857 N VAL A 113 -1.477 -10.588 -3.834 1.00 0.00 N ATOM 858 CA VAL A 113 -0.425 -11.352 -4.542 1.00 0.00 C ATOM 859 C VAL A 113 0.003 -12.508 -3.659 1.00 0.00 C ATOM 860 O VAL A 113 -0.083 -12.442 -2.448 1.00 0.00 O ATOM 861 CB VAL A 113 0.780 -10.475 -4.854 1.00 0.00 C ATOM 862 CG1 VAL A 113 0.860 -10.325 -6.370 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.620 -9.103 -4.188 1.00 0.00 C ATOM 0 H VAL A 113 -1.652 -10.892 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.826 -11.716 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 113 1.694 -10.927 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.715 -9.700 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.977 -11.308 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.054 -9.860 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.487 -8.484 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.281 -8.619 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.540 -9.230 -3.108 1.00 0.00 H new ATOM 864 N THR A 114 0.444 -13.574 -4.251 1.00 0.00 N ATOM 865 CA THR A 114 0.849 -14.741 -3.437 1.00 0.00 C ATOM 866 C THR A 114 2.306 -15.111 -3.714 1.00 0.00 C ATOM 867 O THR A 114 2.721 -15.240 -4.848 1.00 0.00 O ATOM 868 CB THR A 114 -0.048 -15.919 -3.792 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.364 -15.672 -3.319 1.00 0.00 O ATOM 870 CG2 THR A 114 0.510 -17.165 -3.134 1.00 0.00 C ATOM 0 H THR A 114 0.541 -13.687 -5.260 1.00 0.00 H new ATOM 0 HA THR A 114 0.750 -14.492 -2.380 1.00 0.00 H new ATOM 0 HB THR A 114 -0.081 -16.055 -4.873 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.942 -16.429 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.121 -18.019 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.522 -17.346 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 114 0.531 -17.027 -2.053 1.00 0.00 H new ATOM 871 N VAL A 115 3.082 -15.294 -2.683 1.00 0.00 N ATOM 872 CA VAL A 115 4.509 -15.667 -2.888 1.00 0.00 C ATOM 873 C VAL A 115 4.585 -16.891 -3.794 1.00 0.00 C ATOM 874 O VAL A 115 4.193 -17.980 -3.428 1.00 0.00 O ATOM 875 CB VAL A 115 5.179 -15.993 -1.553 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.839 -14.729 -0.994 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.138 -16.512 -0.556 1.00 0.00 C ATOM 0 H VAL A 115 2.791 -15.202 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 115 5.027 -14.824 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 115 5.935 -16.763 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.317 -14.959 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.588 -14.368 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.082 -13.960 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.625 -16.742 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.375 -15.750 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.673 -17.414 -0.953 1.00 0.00 H new