USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 883 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 89 ASN :FLIP amide:sc= -1.47 F(o=-5.3!,f=-4.2) USER MOD Set 1.2: A 94 TYR OH : rot 0:sc= -2.69 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.412) USER MOD Single : A 31 GLN : amide:sc= -1.57! C(o=-1.6!,f=-1.3!) USER MOD Single : A 34 ASN : amide:sc= -0.708 X(o=-0.71,f=-1) USER MOD Single : A 35 MET CE :methyl 153:sc= -1.77 (180deg=-2.74!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0312 (180deg=-0.279) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc=-0.00609 X(o=-0.0061,f=-0.24) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00863 USER MOD Single : A 57 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 59 SER OG : rot 180:sc=-0.00792 USER MOD Single : A 62 LYS NZ :NH3+ -119:sc=-0.00157 (180deg=-0.0728) USER MOD Single : A 64 LYS NZ :NH3+ -113:sc= -1.45! (180deg=-4.17!) USER MOD Single : A 66 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.027) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 71 MET CE :methyl -112:sc= -0.0741 (180deg=-3.24!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -4.17! C(o=-4.2!,f=-12!) USER MOD Single : A 77 LYS NZ :NH3+ -131:sc= 0.0295 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00491) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.96! C(o=-2!,f=-6.1!) USER MOD Single : A 96 MET CE :methyl -128:sc= -0.299 (180deg=-1.06) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0158) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 57:sc= 0.895 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.849 35.919 20.666 1.00 0.00 N ATOM 2 CA GLY A 1 -9.599 35.174 19.446 1.00 0.00 C ATOM 3 C GLY A 1 -8.682 33.988 19.668 1.00 0.00 C ATOM 4 O GLY A 1 -7.702 33.809 18.946 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.481 36.719 20.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.296 35.296 21.368 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.949 36.277 21.045 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.547 34.825 19.037 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.156 35.838 18.703 1.00 0.00 H new ATOM 8 N SER A 2 -8.999 33.176 20.672 1.00 0.00 N ATOM 9 CA SER A 2 -8.192 32.004 20.991 1.00 0.00 C ATOM 10 C SER A 2 -7.884 31.198 19.734 1.00 0.00 C ATOM 11 O SER A 2 -8.670 31.180 18.786 1.00 0.00 O ATOM 12 CB SER A 2 -8.915 31.123 22.011 1.00 0.00 C ATOM 13 OG SER A 2 -9.120 31.817 23.230 1.00 0.00 O ATOM 0 H SER A 2 -9.809 33.308 21.278 1.00 0.00 H new ATOM 0 HA SER A 2 -7.251 32.348 21.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.875 30.804 21.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.331 30.221 22.196 1.00 0.00 H new ATOM 0 HG SER A 2 -9.585 31.233 23.865 1.00 0.00 H new ATOM 19 N SER A 3 -6.734 30.532 19.732 1.00 0.00 N ATOM 20 CA SER A 3 -6.318 29.726 18.590 1.00 0.00 C ATOM 21 C SER A 3 -5.941 28.314 19.029 1.00 0.00 C ATOM 22 O SER A 3 -5.194 28.130 19.989 1.00 0.00 O ATOM 23 CB SER A 3 -5.135 30.384 17.878 1.00 0.00 C ATOM 24 OG SER A 3 -4.758 29.647 16.728 1.00 0.00 O ATOM 0 H SER A 3 -6.073 30.535 20.509 1.00 0.00 H new ATOM 0 HA SER A 3 -7.158 29.660 17.899 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.400 31.402 17.591 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.289 30.455 18.562 1.00 0.00 H new ATOM 0 HG SER A 3 -4.001 30.089 16.290 1.00 0.00 H new ATOM 30 N GLY A 4 -6.464 27.320 18.318 1.00 0.00 N ATOM 31 CA GLY A 4 -6.172 25.938 18.649 1.00 0.00 C ATOM 32 C GLY A 4 -6.686 24.970 17.602 1.00 0.00 C ATOM 33 O GLY A 4 -7.664 25.254 16.910 1.00 0.00 O ATOM 0 H GLY A 4 -7.085 27.447 17.519 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.095 25.813 18.757 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.619 25.696 19.613 1.00 0.00 H new ATOM 37 N SER A 5 -6.024 23.823 17.483 1.00 0.00 N ATOM 38 CA SER A 5 -6.417 22.812 16.508 1.00 0.00 C ATOM 39 C SER A 5 -7.171 21.670 17.183 1.00 0.00 C ATOM 40 O SER A 5 -6.699 21.095 18.163 1.00 0.00 O ATOM 41 CB SER A 5 -5.184 22.267 15.783 1.00 0.00 C ATOM 42 OG SER A 5 -4.849 23.074 14.668 1.00 0.00 O ATOM 0 H SER A 5 -5.214 23.571 18.049 1.00 0.00 H new ATOM 0 HA SER A 5 -7.080 23.281 15.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.341 22.227 16.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.375 21.246 15.453 1.00 0.00 H new ATOM 0 HG SER A 5 -4.057 22.705 14.223 1.00 0.00 H new ATOM 48 N SER A 6 -8.345 21.348 16.650 1.00 0.00 N ATOM 49 CA SER A 6 -9.167 20.278 17.202 1.00 0.00 C ATOM 50 C SER A 6 -10.231 19.838 16.200 1.00 0.00 C ATOM 51 O SER A 6 -10.676 20.624 15.365 1.00 0.00 O ATOM 52 CB SER A 6 -9.833 20.736 18.501 1.00 0.00 C ATOM 53 OG SER A 6 -10.872 21.664 18.242 1.00 0.00 O ATOM 0 H SER A 6 -8.748 21.813 15.837 1.00 0.00 H new ATOM 0 HA SER A 6 -8.518 19.428 17.414 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.236 19.873 19.031 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.089 21.192 19.154 1.00 0.00 H new ATOM 0 HG SER A 6 -11.283 21.940 19.088 1.00 0.00 H new ATOM 59 N GLY A 7 -10.633 18.574 16.290 1.00 0.00 N ATOM 60 CA GLY A 7 -11.641 18.050 15.387 1.00 0.00 C ATOM 61 C GLY A 7 -11.268 18.241 13.930 1.00 0.00 C ATOM 62 O GLY A 7 -11.810 19.113 13.251 1.00 0.00 O ATOM 0 H GLY A 7 -10.279 17.904 16.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.786 16.988 15.586 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.593 18.544 15.583 1.00 0.00 H new ATOM 66 N THR A 8 -10.337 17.423 13.447 1.00 0.00 N ATOM 67 CA THR A 8 -9.890 17.507 12.062 1.00 0.00 C ATOM 68 C THR A 8 -10.544 16.428 11.207 1.00 0.00 C ATOM 69 O THR A 8 -11.225 16.728 10.227 1.00 0.00 O ATOM 70 CB THR A 8 -8.360 17.373 11.957 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.724 18.318 12.825 1.00 0.00 O ATOM 72 CG2 THR A 8 -7.894 17.599 10.526 1.00 0.00 C ATOM 0 H THR A 8 -9.878 16.695 13.995 1.00 0.00 H new ATOM 0 HA THR A 8 -10.187 18.488 11.693 1.00 0.00 H new ATOM 0 HB THR A 8 -8.085 16.362 12.257 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.751 18.225 12.753 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.810 17.499 10.476 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.357 16.860 9.872 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.181 18.600 10.203 1.00 0.00 H new ATOM 80 N GLU A 9 -10.331 15.171 11.585 1.00 0.00 N ATOM 81 CA GLU A 9 -10.901 14.047 10.851 1.00 0.00 C ATOM 82 C GLU A 9 -12.297 13.711 11.367 1.00 0.00 C ATOM 83 O GLU A 9 -12.651 12.541 11.516 1.00 0.00 O ATOM 84 CB GLU A 9 -9.993 12.820 10.968 1.00 0.00 C ATOM 85 CG GLU A 9 -9.908 12.259 12.377 1.00 0.00 C ATOM 86 CD GLU A 9 -8.968 13.052 13.265 1.00 0.00 C ATOM 87 OE1 GLU A 9 -7.784 13.199 12.893 1.00 0.00 O ATOM 88 OE2 GLU A 9 -9.414 13.524 14.330 1.00 0.00 O ATOM 0 H GLU A 9 -9.769 14.906 12.394 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.980 14.334 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.359 12.042 10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.991 13.086 10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.903 12.252 12.822 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.572 11.223 12.332 1.00 0.00 H new ATOM 95 N ASP A 10 -13.085 14.745 11.638 1.00 0.00 N ATOM 96 CA ASP A 10 -14.443 14.562 12.137 1.00 0.00 C ATOM 97 C ASP A 10 -15.459 14.678 11.004 1.00 0.00 C ATOM 98 O ASP A 10 -16.324 13.817 10.842 1.00 0.00 O ATOM 99 CB ASP A 10 -14.753 15.591 13.225 1.00 0.00 C ATOM 100 CG ASP A 10 -14.169 15.206 14.569 1.00 0.00 C ATOM 101 OD1 ASP A 10 -12.926 15.185 14.693 1.00 0.00 O ATOM 102 OD2 ASP A 10 -14.954 14.928 15.499 1.00 0.00 O ATOM 0 H ASP A 10 -12.807 15.719 11.521 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.515 13.562 12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.359 16.562 12.926 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.833 15.701 13.320 1.00 0.00 H new ATOM 107 N SER A 11 -15.347 15.748 10.224 1.00 0.00 N ATOM 108 CA SER A 11 -16.259 15.980 9.110 1.00 0.00 C ATOM 109 C SER A 11 -15.553 15.759 7.776 1.00 0.00 C ATOM 110 O SER A 11 -15.755 16.510 6.821 1.00 0.00 O ATOM 111 CB SER A 11 -16.823 17.401 9.172 1.00 0.00 C ATOM 112 OG SER A 11 -17.927 17.473 10.057 1.00 0.00 O ATOM 0 H SER A 11 -14.634 16.468 10.343 1.00 0.00 H new ATOM 0 HA SER A 11 -17.080 15.267 9.190 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.045 18.091 9.499 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.131 17.717 8.175 1.00 0.00 H new ATOM 0 HG SER A 11 -18.268 18.391 10.080 1.00 0.00 H new ATOM 118 N LEU A 12 -14.723 14.723 7.717 1.00 0.00 N ATOM 119 CA LEU A 12 -13.986 14.400 6.500 1.00 0.00 C ATOM 120 C LEU A 12 -14.916 14.374 5.291 1.00 0.00 C ATOM 121 O LEU A 12 -16.119 14.155 5.426 1.00 0.00 O ATOM 122 CB LEU A 12 -13.285 13.049 6.648 1.00 0.00 C ATOM 123 CG LEU A 12 -12.011 13.043 7.495 1.00 0.00 C ATOM 124 CD1 LEU A 12 -11.633 11.621 7.879 1.00 0.00 C ATOM 125 CD2 LEU A 12 -10.870 13.717 6.747 1.00 0.00 C ATOM 0 H LEU A 12 -14.544 14.092 8.498 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.236 15.175 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.991 12.342 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.038 12.680 5.653 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.202 13.606 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.725 11.636 8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.443 11.172 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.461 11.034 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.972 13.704 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.679 13.182 5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.141 14.749 6.523 1.00 0.00 H new ATOM 137 N MET A 13 -14.348 14.597 4.110 1.00 0.00 N ATOM 138 CA MET A 13 -15.126 14.595 2.877 1.00 0.00 C ATOM 139 C MET A 13 -15.395 13.169 2.405 1.00 0.00 C ATOM 140 O MET A 13 -14.731 12.218 2.819 1.00 0.00 O ATOM 141 CB MET A 13 -14.392 15.376 1.785 1.00 0.00 C ATOM 142 CG MET A 13 -14.765 16.849 1.736 1.00 0.00 C ATOM 143 SD MET A 13 -13.802 17.848 2.888 1.00 0.00 S ATOM 144 CE MET A 13 -15.108 18.691 3.778 1.00 0.00 C ATOM 0 H MET A 13 -13.353 14.781 3.981 1.00 0.00 H new ATOM 0 HA MET A 13 -16.082 15.078 3.079 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.318 15.287 1.946 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.608 14.923 0.818 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.616 17.224 0.723 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.825 16.959 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.671 19.349 4.529 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.702 19.281 3.080 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.748 17.957 4.267 1.00 0.00 H new ATOM 154 N PRO A 14 -16.390 13.016 1.520 1.00 0.00 N ATOM 155 CA PRO A 14 -16.768 11.709 0.973 1.00 0.00 C ATOM 156 C PRO A 14 -15.710 11.147 0.030 1.00 0.00 C ATOM 157 O PRO A 14 -14.581 11.633 -0.010 1.00 0.00 O ATOM 158 CB PRO A 14 -18.062 12.005 0.210 1.00 0.00 C ATOM 159 CG PRO A 14 -17.971 13.449 -0.144 1.00 0.00 C ATOM 160 CD PRO A 14 -17.222 14.105 0.983 1.00 0.00 C ATOM 0 HA PRO A 14 -16.880 10.957 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.147 11.383 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.939 11.803 0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.450 13.586 -1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.963 13.886 -0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.614 14.938 0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.900 14.502 1.738 1.00 0.00 H new ATOM 168 N GLU A 15 -16.085 10.121 -0.728 1.00 0.00 N ATOM 169 CA GLU A 15 -15.167 9.493 -1.671 1.00 0.00 C ATOM 170 C GLU A 15 -15.346 10.071 -3.072 1.00 0.00 C ATOM 171 O GLU A 15 -14.374 10.438 -3.732 1.00 0.00 O ATOM 172 CB GLU A 15 -15.386 7.979 -1.700 1.00 0.00 C ATOM 173 CG GLU A 15 -14.196 7.202 -2.237 1.00 0.00 C ATOM 174 CD GLU A 15 -14.537 5.759 -2.555 1.00 0.00 C ATOM 175 OE1 GLU A 15 -14.615 4.945 -1.612 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.727 5.445 -3.749 1.00 0.00 O ATOM 0 H GLU A 15 -17.017 9.708 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.149 9.699 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.609 7.633 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.260 7.758 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.824 7.691 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.389 7.228 -1.504 1.00 0.00 H new ATOM 183 N GLU A 16 -16.596 10.148 -3.519 1.00 0.00 N ATOM 184 CA GLU A 16 -16.902 10.680 -4.841 1.00 0.00 C ATOM 185 C GLU A 16 -16.211 12.022 -5.062 1.00 0.00 C ATOM 186 O GLU A 16 -15.334 12.147 -5.916 1.00 0.00 O ATOM 187 CB GLU A 16 -18.414 10.838 -5.014 1.00 0.00 C ATOM 188 CG GLU A 16 -19.108 9.573 -5.490 1.00 0.00 C ATOM 189 CD GLU A 16 -20.568 9.801 -5.830 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.385 9.918 -4.892 1.00 0.00 O ATOM 191 OE2 GLU A 16 -20.894 9.862 -7.034 1.00 0.00 O ATOM 0 H GLU A 16 -17.412 9.849 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.530 9.974 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.850 11.146 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.608 11.639 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.590 9.188 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.034 8.809 -4.716 1.00 0.00 H new ATOM 198 N GLU A 17 -16.613 13.023 -4.284 1.00 0.00 N ATOM 199 CA GLU A 17 -16.033 14.356 -4.396 1.00 0.00 C ATOM 200 C GLU A 17 -14.509 14.288 -4.401 1.00 0.00 C ATOM 201 O GLU A 17 -13.858 14.761 -5.333 1.00 0.00 O ATOM 202 CB GLU A 17 -16.511 15.242 -3.243 1.00 0.00 C ATOM 203 CG GLU A 17 -17.972 15.646 -3.351 1.00 0.00 C ATOM 204 CD GLU A 17 -18.888 14.462 -3.596 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.826 13.492 -2.812 1.00 0.00 O ATOM 206 OE2 GLU A 17 -19.666 14.507 -4.571 1.00 0.00 O ATOM 0 H GLU A 17 -17.337 12.936 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.363 14.790 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.358 14.714 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.896 16.141 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.274 16.151 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.088 16.364 -4.163 1.00 0.00 H new ATOM 213 N PHE A 18 -13.945 13.695 -3.354 1.00 0.00 N ATOM 214 CA PHE A 18 -12.498 13.566 -3.236 1.00 0.00 C ATOM 215 C PHE A 18 -11.860 13.327 -4.601 1.00 0.00 C ATOM 216 O PHE A 18 -11.074 14.144 -5.084 1.00 0.00 O ATOM 217 CB PHE A 18 -12.142 12.419 -2.287 1.00 0.00 C ATOM 218 CG PHE A 18 -10.677 12.337 -1.968 1.00 0.00 C ATOM 219 CD1 PHE A 18 -9.983 13.459 -1.542 1.00 0.00 C ATOM 220 CD2 PHE A 18 -9.993 11.139 -2.093 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.635 13.386 -1.249 1.00 0.00 C ATOM 222 CE2 PHE A 18 -8.644 11.060 -1.801 1.00 0.00 C ATOM 223 CZ PHE A 18 -7.965 12.185 -1.377 1.00 0.00 C ATOM 0 H PHE A 18 -14.469 13.296 -2.575 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.108 14.499 -2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.701 12.539 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.462 11.477 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.502 14.400 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.520 10.256 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.105 14.268 -0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.122 10.120 -1.904 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.912 12.126 -1.146 1.00 0.00 H new ATOM 233 N LEU A 19 -12.203 12.203 -5.219 1.00 0.00 N ATOM 234 CA LEU A 19 -11.664 11.855 -6.530 1.00 0.00 C ATOM 235 C LEU A 19 -11.668 13.065 -7.459 1.00 0.00 C ATOM 236 O LEU A 19 -10.710 13.296 -8.197 1.00 0.00 O ATOM 237 CB LEU A 19 -12.477 10.718 -7.152 1.00 0.00 C ATOM 238 CG LEU A 19 -12.343 9.351 -6.479 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.150 8.305 -7.232 1.00 0.00 C ATOM 240 CD2 LEU A 19 -10.881 8.940 -6.394 1.00 0.00 C ATOM 0 H LEU A 19 -12.852 11.516 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.634 11.526 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.529 11.003 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.183 10.617 -8.197 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.738 9.425 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.043 7.339 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.201 8.593 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.785 8.232 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.805 7.965 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.460 8.883 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.329 9.677 -5.811 1.00 0.00 H new ATOM 252 N ARG A 20 -12.750 13.835 -7.415 1.00 0.00 N ATOM 253 CA ARG A 20 -12.877 15.022 -8.251 1.00 0.00 C ATOM 254 C ARG A 20 -11.862 16.086 -7.843 1.00 0.00 C ATOM 255 O ARG A 20 -11.365 16.838 -8.682 1.00 0.00 O ATOM 256 CB ARG A 20 -14.294 15.590 -8.156 1.00 0.00 C ATOM 257 CG ARG A 20 -15.374 14.610 -8.586 1.00 0.00 C ATOM 258 CD ARG A 20 -16.757 15.089 -8.174 1.00 0.00 C ATOM 259 NE ARG A 20 -17.302 16.062 -9.115 1.00 0.00 N ATOM 260 CZ ARG A 20 -17.960 15.728 -10.220 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.153 14.451 -10.520 1.00 0.00 N ATOM 262 NH2 ARG A 20 -18.426 16.672 -11.028 1.00 0.00 N ATOM 0 H ARG A 20 -13.551 13.658 -6.809 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.678 14.732 -9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.484 15.899 -7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.360 16.485 -8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.340 14.481 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.179 13.634 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.431 14.235 -8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.705 15.535 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.171 17.053 -8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.796 13.722 -9.902 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.658 14.197 -11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.279 17.656 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.931 16.414 -11.876 1.00 0.00 H new ATOM 276 N ARG A 21 -11.561 16.144 -6.550 1.00 0.00 N ATOM 277 CA ARG A 21 -10.607 17.117 -6.031 1.00 0.00 C ATOM 278 C ARG A 21 -9.174 16.636 -6.236 1.00 0.00 C ATOM 279 O ARG A 21 -8.385 17.281 -6.927 1.00 0.00 O ATOM 280 CB ARG A 21 -10.864 17.370 -4.544 1.00 0.00 C ATOM 281 CG ARG A 21 -12.068 18.258 -4.277 1.00 0.00 C ATOM 282 CD ARG A 21 -11.676 19.726 -4.217 1.00 0.00 C ATOM 283 NE ARG A 21 -12.724 20.548 -3.617 1.00 0.00 N ATOM 284 CZ ARG A 21 -12.494 21.715 -3.026 1.00 0.00 C ATOM 285 NH1 ARG A 21 -11.260 22.195 -2.956 1.00 0.00 N ATOM 286 NH2 ARG A 21 -13.500 22.405 -2.503 1.00 0.00 N ATOM 0 H ARG A 21 -11.964 15.529 -5.843 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.741 18.049 -6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.010 16.414 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.979 17.830 -4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.811 18.111 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.535 17.966 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.757 19.833 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.464 20.086 -5.224 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.685 20.207 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.484 21.668 -3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.087 23.092 -2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.451 22.039 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.322 23.301 -2.049 1.00 0.00 H new ATOM 300 N ASN A 22 -8.844 15.500 -5.631 1.00 0.00 N ATOM 301 CA ASN A 22 -7.505 14.933 -5.747 1.00 0.00 C ATOM 302 C ASN A 22 -7.524 13.661 -6.589 1.00 0.00 C ATOM 303 O ASN A 22 -7.457 12.551 -6.059 1.00 0.00 O ATOM 304 CB ASN A 22 -6.935 14.631 -4.359 1.00 0.00 C ATOM 305 CG ASN A 22 -6.958 15.844 -3.449 1.00 0.00 C ATOM 306 OD1 ASN A 22 -5.951 16.535 -3.292 1.00 0.00 O ATOM 307 ND2 ASN A 22 -8.109 16.107 -2.843 1.00 0.00 N ATOM 0 H ASN A 22 -9.485 14.954 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.868 15.666 -6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.509 13.825 -3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.910 14.275 -4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.184 16.909 -2.218 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.918 15.507 -3.003 1.00 0.00 H new ATOM 314 N LYS A 23 -7.614 13.830 -7.904 1.00 0.00 N ATOM 315 CA LYS A 23 -7.639 12.696 -8.821 1.00 0.00 C ATOM 316 C LYS A 23 -6.363 11.870 -8.700 1.00 0.00 C ATOM 317 O LYS A 23 -6.406 10.640 -8.709 1.00 0.00 O ATOM 318 CB LYS A 23 -7.809 13.184 -10.262 1.00 0.00 C ATOM 319 CG LYS A 23 -6.812 14.258 -10.662 1.00 0.00 C ATOM 320 CD LYS A 23 -7.402 15.213 -11.685 1.00 0.00 C ATOM 321 CE LYS A 23 -8.047 16.418 -11.016 1.00 0.00 C ATOM 322 NZ LYS A 23 -9.096 17.034 -11.875 1.00 0.00 N ATOM 0 H LYS A 23 -7.671 14.741 -8.359 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.486 12.064 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.707 12.335 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.819 13.573 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.503 14.816 -9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.917 13.790 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.619 15.549 -12.365 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.144 14.689 -12.287 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.488 16.114 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.282 17.160 -10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.511 17.851 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.671 17.348 -12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.840 16.334 -12.071 1.00 0.00 H new ATOM 336 N GLY A 24 -5.229 12.553 -8.584 1.00 0.00 N ATOM 337 CA GLY A 24 -3.957 11.865 -8.461 1.00 0.00 C ATOM 338 C GLY A 24 -3.223 11.763 -9.783 1.00 0.00 C ATOM 339 O GLY A 24 -3.533 12.465 -10.746 1.00 0.00 O ATOM 0 H GLY A 24 -5.168 13.571 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.331 12.392 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.126 10.864 -8.064 1.00 0.00 H new ATOM 343 N PRO A 25 -2.222 10.872 -9.841 1.00 0.00 N ATOM 344 CA PRO A 25 -1.843 10.031 -8.702 1.00 0.00 C ATOM 345 C PRO A 25 -1.194 10.833 -7.580 1.00 0.00 C ATOM 346 O PRO A 25 -0.594 11.881 -7.819 1.00 0.00 O ATOM 347 CB PRO A 25 -0.839 9.046 -9.306 1.00 0.00 C ATOM 348 CG PRO A 25 -0.272 9.759 -10.485 1.00 0.00 C ATOM 349 CD PRO A 25 -1.383 10.617 -11.024 1.00 0.00 C ATOM 0 HA PRO A 25 -2.708 9.551 -8.244 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.060 8.785 -8.589 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.325 8.116 -9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.586 10.367 -10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.076 9.052 -11.238 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.003 11.544 -11.454 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.940 10.106 -11.809 1.00 0.00 H new ATOM 357 N VAL A 26 -1.317 10.335 -6.354 1.00 0.00 N ATOM 358 CA VAL A 26 -0.740 11.005 -5.194 1.00 0.00 C ATOM 359 C VAL A 26 0.485 10.256 -4.680 1.00 0.00 C ATOM 360 O VAL A 26 0.432 9.051 -4.438 1.00 0.00 O ATOM 361 CB VAL A 26 -1.766 11.134 -4.053 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.941 11.997 -4.486 1.00 0.00 C ATOM 363 CG2 VAL A 26 -2.240 9.759 -3.605 1.00 0.00 C ATOM 0 H VAL A 26 -1.811 9.469 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.443 12.002 -5.519 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.282 11.620 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.655 12.077 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.583 12.991 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.428 11.542 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.965 9.869 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.707 9.244 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.388 9.178 -3.251 1.00 0.00 H new ATOM 373 N SER A 27 1.588 10.980 -4.516 1.00 0.00 N ATOM 374 CA SER A 27 2.828 10.384 -4.034 1.00 0.00 C ATOM 375 C SER A 27 2.847 10.329 -2.509 1.00 0.00 C ATOM 376 O SER A 27 2.828 11.362 -1.839 1.00 0.00 O ATOM 377 CB SER A 27 4.032 11.180 -4.541 1.00 0.00 C ATOM 378 OG SER A 27 5.247 10.526 -4.219 1.00 0.00 O ATOM 0 H SER A 27 1.648 11.980 -4.710 1.00 0.00 H new ATOM 0 HA SER A 27 2.886 9.366 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.959 11.308 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.024 12.177 -4.101 1.00 0.00 H new ATOM 0 HG SER A 27 6.001 11.053 -4.555 1.00 0.00 H new ATOM 384 N ILE A 28 2.884 9.116 -1.968 1.00 0.00 N ATOM 385 CA ILE A 28 2.907 8.925 -0.523 1.00 0.00 C ATOM 386 C ILE A 28 4.264 8.408 -0.058 1.00 0.00 C ATOM 387 O ILE A 28 4.827 7.487 -0.650 1.00 0.00 O ATOM 388 CB ILE A 28 1.813 7.941 -0.068 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.093 6.541 -0.619 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.443 8.428 -0.516 1.00 0.00 C ATOM 391 CD1 ILE A 28 2.933 5.686 0.303 1.00 0.00 C ATOM 0 H ILE A 28 2.899 8.251 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 28 2.718 9.900 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 28 1.821 7.890 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.145 6.037 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.600 6.632 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.320 7.722 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.244 9.407 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.422 8.505 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.092 4.708 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.896 6.169 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.418 5.564 1.256 1.00 0.00 H new ATOM 403 N LYS A 29 4.785 9.007 1.008 1.00 0.00 N ATOM 404 CA LYS A 29 6.075 8.607 1.556 1.00 0.00 C ATOM 405 C LYS A 29 5.907 7.494 2.586 1.00 0.00 C ATOM 406 O LYS A 29 4.811 7.269 3.099 1.00 0.00 O ATOM 407 CB LYS A 29 6.774 9.808 2.198 1.00 0.00 C ATOM 408 CG LYS A 29 7.793 10.475 1.290 1.00 0.00 C ATOM 409 CD LYS A 29 8.951 11.057 2.083 1.00 0.00 C ATOM 410 CE LYS A 29 10.083 10.053 2.235 1.00 0.00 C ATOM 411 NZ LYS A 29 11.027 10.441 3.319 1.00 0.00 N ATOM 0 H LYS A 29 4.333 9.772 1.509 1.00 0.00 H new ATOM 0 HA LYS A 29 6.689 8.231 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.023 10.542 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.272 9.483 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.172 9.748 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.309 11.266 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.322 11.952 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.601 11.364 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.668 9.068 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.625 9.972 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.935 9.953 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.180 11.469 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.627 10.172 4.241 1.00 0.00 H new ATOM 425 N VAL A 30 7.001 6.800 2.885 1.00 0.00 N ATOM 426 CA VAL A 30 6.975 5.712 3.855 1.00 0.00 C ATOM 427 C VAL A 30 8.166 5.794 4.804 1.00 0.00 C ATOM 428 O VAL A 30 9.301 5.519 4.415 1.00 0.00 O ATOM 429 CB VAL A 30 6.981 4.339 3.158 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.895 3.219 4.184 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.839 4.245 2.158 1.00 0.00 C ATOM 0 H VAL A 30 7.916 6.972 2.469 1.00 0.00 H new ATOM 0 HA VAL A 30 6.052 5.817 4.425 1.00 0.00 H new ATOM 0 HB VAL A 30 7.920 4.231 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.900 2.256 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.750 3.277 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.973 3.320 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.858 3.268 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.889 4.374 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.950 5.025 1.405 1.00 0.00 H new ATOM 441 N GLN A 31 7.899 6.172 6.049 1.00 0.00 N ATOM 442 CA GLN A 31 8.949 6.289 7.054 1.00 0.00 C ATOM 443 C GLN A 31 9.334 4.919 7.602 1.00 0.00 C ATOM 444 O GLN A 31 8.678 4.392 8.501 1.00 0.00 O ATOM 445 CB GLN A 31 8.493 7.199 8.196 1.00 0.00 C ATOM 446 CG GLN A 31 9.640 7.857 8.945 1.00 0.00 C ATOM 447 CD GLN A 31 10.711 6.866 9.360 1.00 0.00 C ATOM 448 OE1 GLN A 31 11.842 6.918 8.876 1.00 0.00 O ATOM 449 NE2 GLN A 31 10.358 5.957 10.262 1.00 0.00 N ATOM 0 H GLN A 31 6.965 6.403 6.387 1.00 0.00 H new ATOM 0 HA GLN A 31 9.825 6.728 6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.841 7.974 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.898 6.616 8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.087 8.626 8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.250 8.358 9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.409 5.951 10.636 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.036 5.265 10.581 1.00 0.00 H new ATOM 458 N VAL A 32 10.401 4.346 7.054 1.00 0.00 N ATOM 459 CA VAL A 32 10.874 3.037 7.489 1.00 0.00 C ATOM 460 C VAL A 32 11.747 3.153 8.733 1.00 0.00 C ATOM 461 O VAL A 32 12.786 3.813 8.734 1.00 0.00 O ATOM 462 CB VAL A 32 11.675 2.332 6.378 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.131 0.957 6.839 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.845 2.229 5.107 1.00 0.00 C ATOM 0 H VAL A 32 10.954 4.768 6.308 1.00 0.00 H new ATOM 0 HA VAL A 32 9.990 2.443 7.723 1.00 0.00 H new ATOM 0 HB VAL A 32 12.561 2.928 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.695 0.474 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.764 1.060 7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.261 0.349 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.426 1.728 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.940 1.656 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.573 3.229 4.768 1.00 0.00 H new ATOM 474 N PRO A 33 11.316 2.498 9.821 1.00 0.00 N ATOM 475 CA PRO A 33 12.044 2.511 11.094 1.00 0.00 C ATOM 476 C PRO A 33 13.352 1.731 11.021 1.00 0.00 C ATOM 477 O PRO A 33 13.632 1.061 10.028 1.00 0.00 O ATOM 478 CB PRO A 33 11.072 1.836 12.065 1.00 0.00 C ATOM 479 CG PRO A 33 10.217 0.971 11.206 1.00 0.00 C ATOM 480 CD PRO A 33 10.085 1.692 9.893 1.00 0.00 C ATOM 0 HA PRO A 33 12.331 3.520 11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.604 1.248 12.813 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.475 2.572 12.603 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.670 -0.011 11.068 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.241 0.811 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.011 0.996 9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.193 2.318 9.866 1.00 0.00 H new ATOM 488 N ASN A 34 14.150 1.822 12.080 1.00 0.00 N ATOM 489 CA ASN A 34 15.429 1.125 12.136 1.00 0.00 C ATOM 490 C ASN A 34 15.382 -0.018 13.145 1.00 0.00 C ATOM 491 O ASN A 34 15.633 0.179 14.334 1.00 0.00 O ATOM 492 CB ASN A 34 16.550 2.099 12.504 1.00 0.00 C ATOM 493 CG ASN A 34 17.823 1.387 12.919 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.028 1.095 14.098 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.685 1.105 11.950 1.00 0.00 N ATOM 0 H ASN A 34 13.933 2.372 12.911 1.00 0.00 H new ATOM 0 HA ASN A 34 15.630 0.707 11.149 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.760 2.745 11.652 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.216 2.743 13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.559 0.627 12.168 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.473 1.366 10.987 1.00 0.00 H new ATOM 502 N MET A 35 15.060 -1.214 12.662 1.00 0.00 N ATOM 503 CA MET A 35 14.981 -2.389 13.522 1.00 0.00 C ATOM 504 C MET A 35 16.279 -3.189 13.468 1.00 0.00 C ATOM 505 O MET A 35 16.468 -4.022 12.582 1.00 0.00 O ATOM 506 CB MET A 35 13.805 -3.274 13.106 1.00 0.00 C ATOM 507 CG MET A 35 12.505 -2.931 13.816 1.00 0.00 C ATOM 508 SD MET A 35 11.954 -1.247 13.479 1.00 0.00 S ATOM 509 CE MET A 35 10.279 -1.307 14.111 1.00 0.00 C ATOM 0 H MET A 35 14.850 -1.395 11.680 1.00 0.00 H new ATOM 0 HA MET A 35 14.826 -2.050 14.546 1.00 0.00 H new ATOM 0 HB2 MET A 35 13.656 -3.184 12.030 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.056 -4.315 13.307 1.00 0.00 H new ATOM 0 HG2 MET A 35 11.730 -3.632 13.506 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.638 -3.058 14.890 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.972 -0.309 14.423 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.608 -1.666 13.330 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.236 -1.983 14.965 1.00 0.00 H new ATOM 519 N GLN A 36 17.169 -2.930 14.421 1.00 0.00 N ATOM 520 CA GLN A 36 18.449 -3.626 14.480 1.00 0.00 C ATOM 521 C GLN A 36 18.382 -4.808 15.442 1.00 0.00 C ATOM 522 O GLN A 36 19.028 -5.833 15.227 1.00 0.00 O ATOM 523 CB GLN A 36 19.557 -2.664 14.911 1.00 0.00 C ATOM 524 CG GLN A 36 20.903 -3.341 15.119 1.00 0.00 C ATOM 525 CD GLN A 36 21.726 -3.404 13.848 1.00 0.00 C ATOM 526 OE1 GLN A 36 22.521 -2.507 13.564 1.00 0.00 O ATOM 527 NE2 GLN A 36 21.541 -4.467 13.074 1.00 0.00 N ATOM 0 H GLN A 36 17.027 -2.244 15.162 1.00 0.00 H new ATOM 0 HA GLN A 36 18.674 -4.005 13.483 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.664 -1.885 14.156 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.260 -2.172 15.837 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.462 -2.802 15.883 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.743 -4.352 15.494 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.872 -5.187 13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.068 -4.564 12.206 1.00 0.00 H new ATOM 536 N ASP A 37 17.596 -4.657 16.503 1.00 0.00 N ATOM 537 CA ASP A 37 17.444 -5.712 17.498 1.00 0.00 C ATOM 538 C ASP A 37 17.449 -7.087 16.837 1.00 0.00 C ATOM 539 O ASP A 37 18.399 -7.856 16.984 1.00 0.00 O ATOM 540 CB ASP A 37 16.148 -5.516 18.286 1.00 0.00 C ATOM 541 CG ASP A 37 15.982 -6.541 19.391 1.00 0.00 C ATOM 542 OD1 ASP A 37 16.512 -6.311 20.498 1.00 0.00 O ATOM 543 OD2 ASP A 37 15.322 -7.573 19.148 1.00 0.00 O ATOM 0 H ASP A 37 17.055 -3.814 16.696 1.00 0.00 H new ATOM 0 HA ASP A 37 18.289 -5.655 18.184 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.137 -4.515 18.718 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.299 -5.579 17.605 1.00 0.00 H new ATOM 548 N LYS A 38 16.379 -7.392 16.109 1.00 0.00 N ATOM 549 CA LYS A 38 16.259 -8.674 15.425 1.00 0.00 C ATOM 550 C LYS A 38 14.990 -8.722 14.581 1.00 0.00 C ATOM 551 O LYS A 38 13.886 -8.866 15.107 1.00 0.00 O ATOM 552 CB LYS A 38 16.252 -9.818 16.441 1.00 0.00 C ATOM 553 CG LYS A 38 16.171 -11.195 15.805 1.00 0.00 C ATOM 554 CD LYS A 38 17.493 -11.596 15.172 1.00 0.00 C ATOM 555 CE LYS A 38 17.646 -13.108 15.112 1.00 0.00 C ATOM 556 NZ LYS A 38 19.072 -13.516 14.978 1.00 0.00 N ATOM 0 H LYS A 38 15.583 -6.768 15.978 1.00 0.00 H new ATOM 0 HA LYS A 38 17.119 -8.788 14.765 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.156 -9.760 17.048 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.406 -9.688 17.116 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.891 -11.929 16.560 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.387 -11.201 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.556 -11.183 14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.316 -11.168 15.744 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.224 -13.552 16.014 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.076 -13.498 14.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.134 -14.553 14.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.468 -13.114 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.611 -13.166 15.795 1.00 0.00 H new ATOM 570 N THR A 39 15.154 -8.603 13.267 1.00 0.00 N ATOM 571 CA THR A 39 14.022 -8.634 12.349 1.00 0.00 C ATOM 572 C THR A 39 14.455 -9.074 10.956 1.00 0.00 C ATOM 573 O THR A 39 15.495 -8.647 10.456 1.00 0.00 O ATOM 574 CB THR A 39 13.340 -7.256 12.251 1.00 0.00 C ATOM 575 OG1 THR A 39 14.135 -6.372 11.452 1.00 0.00 O ATOM 576 CG2 THR A 39 13.137 -6.653 13.633 1.00 0.00 C ATOM 0 H THR A 39 16.060 -8.484 12.815 1.00 0.00 H new ATOM 0 HA THR A 39 13.310 -9.356 12.750 1.00 0.00 H new ATOM 0 HB THR A 39 12.365 -7.390 11.784 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.694 -5.499 11.393 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.654 -5.680 13.538 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.508 -7.314 14.230 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.103 -6.532 14.123 1.00 0.00 H new ATOM 584 N GLU A 40 13.650 -9.930 10.333 1.00 0.00 N ATOM 585 CA GLU A 40 13.953 -10.427 8.996 1.00 0.00 C ATOM 586 C GLU A 40 13.383 -9.498 7.928 1.00 0.00 C ATOM 587 O GLU A 40 12.901 -9.950 6.890 1.00 0.00 O ATOM 588 CB GLU A 40 13.389 -11.838 8.814 1.00 0.00 C ATOM 589 CG GLU A 40 11.883 -11.921 8.999 1.00 0.00 C ATOM 590 CD GLU A 40 11.354 -13.333 8.847 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.568 -13.936 7.775 1.00 0.00 O ATOM 592 OE2 GLU A 40 10.724 -13.836 9.802 1.00 0.00 O ATOM 0 H GLU A 40 12.784 -10.293 10.732 1.00 0.00 H new ATOM 0 HA GLU A 40 15.037 -10.459 8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.644 -12.196 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.871 -12.507 9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.621 -11.543 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.395 -11.274 8.270 1.00 0.00 H new ATOM 599 N TRP A 41 13.442 -8.198 8.192 1.00 0.00 N ATOM 600 CA TRP A 41 12.932 -7.204 7.254 1.00 0.00 C ATOM 601 C TRP A 41 13.976 -6.127 6.981 1.00 0.00 C ATOM 602 O TRP A 41 14.957 -5.999 7.713 1.00 0.00 O ATOM 603 CB TRP A 41 11.653 -6.566 7.801 1.00 0.00 C ATOM 604 CG TRP A 41 10.677 -7.565 8.344 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.352 -8.774 7.799 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.898 -7.438 9.539 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.417 -9.407 8.583 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.123 -8.609 9.657 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.781 -6.452 10.522 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.244 -8.816 10.717 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.908 -6.659 11.573 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.150 -7.834 11.664 1.00 0.00 C ATOM 0 H TRP A 41 13.838 -7.807 9.047 1.00 0.00 H new ATOM 0 HA TRP A 41 12.705 -7.709 6.315 1.00 0.00 H new ATOM 0 HB2 TRP A 41 11.916 -5.860 8.589 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.173 -5.994 7.007 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.768 -9.174 6.886 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.008 -10.323 8.395 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.363 -5.544 10.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.657 -9.720 10.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.808 -5.902 12.337 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.478 -7.967 12.499 1.00 0.00 H new ATOM 623 N LYS A 42 13.758 -5.353 5.923 1.00 0.00 N ATOM 624 CA LYS A 42 14.679 -4.285 5.553 1.00 0.00 C ATOM 625 C LYS A 42 14.287 -2.972 6.223 1.00 0.00 C ATOM 626 O LYS A 42 13.711 -2.087 5.588 1.00 0.00 O ATOM 627 CB LYS A 42 14.703 -4.107 4.033 1.00 0.00 C ATOM 628 CG LYS A 42 15.161 -5.346 3.283 1.00 0.00 C ATOM 629 CD LYS A 42 16.671 -5.371 3.116 1.00 0.00 C ATOM 630 CE LYS A 42 17.111 -4.567 1.902 1.00 0.00 C ATOM 631 NZ LYS A 42 16.710 -5.225 0.627 1.00 0.00 N ATOM 0 H LYS A 42 12.951 -5.446 5.306 1.00 0.00 H new ATOM 0 HA LYS A 42 15.675 -4.564 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.704 -3.834 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.363 -3.276 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.839 -6.238 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.685 -5.376 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.144 -4.968 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.010 -6.402 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.674 -3.569 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.194 -4.442 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.294 -4.858 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.848 -6.253 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.708 -5.024 0.433 1.00 0.00 H new ATOM 645 N LEU A 43 14.602 -2.851 7.507 1.00 0.00 N ATOM 646 CA LEU A 43 14.284 -1.644 8.263 1.00 0.00 C ATOM 647 C LEU A 43 15.551 -0.988 8.800 1.00 0.00 C ATOM 648 O LEU A 43 16.067 -1.376 9.847 1.00 0.00 O ATOM 649 CB LEU A 43 13.339 -1.977 9.419 1.00 0.00 C ATOM 650 CG LEU A 43 12.034 -2.678 9.039 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.307 -3.165 10.283 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.144 -1.746 8.229 1.00 0.00 C ATOM 0 H LEU A 43 15.078 -3.574 8.047 1.00 0.00 H new ATOM 0 HA LEU A 43 13.792 -0.942 7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.874 -2.608 10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.093 -1.051 9.939 1.00 0.00 H new ATOM 0 HG LEU A 43 12.276 -3.544 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.381 -3.661 9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.941 -3.868 10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.077 -2.315 10.926 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.220 -2.262 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.911 -0.861 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.663 -1.447 7.318 1.00 0.00 H new ATOM 664 N ASN A 44 16.047 0.011 8.077 1.00 0.00 N ATOM 665 CA ASN A 44 17.253 0.723 8.482 1.00 0.00 C ATOM 666 C ASN A 44 17.069 2.231 8.337 1.00 0.00 C ATOM 667 O ASN A 44 17.696 2.865 7.489 1.00 0.00 O ATOM 668 CB ASN A 44 18.448 0.261 7.646 1.00 0.00 C ATOM 669 CG ASN A 44 19.772 0.505 8.344 1.00 0.00 C ATOM 670 OD1 ASN A 44 20.426 1.524 8.120 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.172 -0.431 9.197 1.00 0.00 N ATOM 0 H ASN A 44 15.632 0.346 7.207 1.00 0.00 H new ATOM 0 HA ASN A 44 17.443 0.497 9.531 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.346 -0.802 7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 44 18.443 0.784 6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 44 21.054 -0.321 9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 44 19.597 -1.259 9.351 1.00 0.00 H new ATOM 678 N GLY A 45 16.205 2.799 9.172 1.00 0.00 N ATOM 679 CA GLY A 45 15.954 4.228 9.121 1.00 0.00 C ATOM 680 C GLY A 45 16.078 4.789 7.719 1.00 0.00 C ATOM 681 O GLY A 45 17.147 5.248 7.320 1.00 0.00 O ATOM 0 H GLY A 45 15.674 2.296 9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.954 4.432 9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.657 4.741 9.778 1.00 0.00 H new ATOM 685 N GLN A 46 14.981 4.750 6.969 1.00 0.00 N ATOM 686 CA GLN A 46 14.973 5.256 5.601 1.00 0.00 C ATOM 687 C GLN A 46 13.570 5.692 5.191 1.00 0.00 C ATOM 688 O GLN A 46 12.606 5.493 5.929 1.00 0.00 O ATOM 689 CB GLN A 46 15.491 4.188 4.637 1.00 0.00 C ATOM 690 CG GLN A 46 14.713 2.884 4.698 1.00 0.00 C ATOM 691 CD GLN A 46 15.484 1.716 4.114 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.650 1.501 4.444 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.834 0.955 3.241 1.00 0.00 N ATOM 0 H GLN A 46 14.087 4.374 7.285 1.00 0.00 H new ATOM 0 HA GLN A 46 15.631 6.124 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.451 4.578 3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.539 3.987 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.460 2.665 5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.773 3.000 4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.867 1.171 2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.301 0.155 2.815 1.00 0.00 H new ATOM 702 N GLY A 47 13.464 6.289 4.007 1.00 0.00 N ATOM 703 CA GLY A 47 12.175 6.744 3.519 1.00 0.00 C ATOM 704 C GLY A 47 11.923 6.338 2.081 1.00 0.00 C ATOM 705 O GLY A 47 12.746 6.598 1.201 1.00 0.00 O ATOM 0 H GLY A 47 14.247 6.465 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.386 6.337 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.121 7.830 3.601 1.00 0.00 H new ATOM 709 N LEU A 48 10.785 5.696 1.839 1.00 0.00 N ATOM 710 CA LEU A 48 10.428 5.251 0.497 1.00 0.00 C ATOM 711 C LEU A 48 9.360 6.156 -0.111 1.00 0.00 C ATOM 712 O LEU A 48 8.620 6.829 0.607 1.00 0.00 O ATOM 713 CB LEU A 48 9.927 3.806 0.534 1.00 0.00 C ATOM 714 CG LEU A 48 10.787 2.818 1.322 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.059 1.494 1.492 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.127 2.607 0.631 1.00 0.00 C ATOM 0 H LEU A 48 10.094 5.472 2.555 1.00 0.00 H new ATOM 0 HA LEU A 48 11.321 5.304 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.923 3.801 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.842 3.446 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 48 10.973 3.237 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.687 0.803 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.126 1.658 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.842 1.070 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.726 1.901 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.961 2.211 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.655 3.558 0.562 1.00 0.00 H new ATOM 728 N VAL A 49 9.285 6.165 -1.438 1.00 0.00 N ATOM 729 CA VAL A 49 8.306 6.984 -2.142 1.00 0.00 C ATOM 730 C VAL A 49 7.609 6.186 -3.238 1.00 0.00 C ATOM 731 O VAL A 49 8.236 5.387 -3.934 1.00 0.00 O ATOM 732 CB VAL A 49 8.962 8.230 -2.767 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.934 9.044 -3.539 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.627 9.077 -1.693 1.00 0.00 C ATOM 0 H VAL A 49 9.890 5.614 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 49 7.570 7.302 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 49 9.731 7.902 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.415 9.920 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.508 8.432 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.141 9.364 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.085 9.953 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.879 9.397 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.394 8.489 -1.189 1.00 0.00 H new ATOM 744 N PHE A 50 6.307 6.409 -3.388 1.00 0.00 N ATOM 745 CA PHE A 50 5.524 5.710 -4.400 1.00 0.00 C ATOM 746 C PHE A 50 4.360 6.573 -4.879 1.00 0.00 C ATOM 747 O PHE A 50 3.773 7.331 -4.105 1.00 0.00 O ATOM 748 CB PHE A 50 4.996 4.386 -3.843 1.00 0.00 C ATOM 749 CG PHE A 50 6.006 3.635 -3.024 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.145 3.111 -3.614 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.817 3.453 -1.663 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.077 2.420 -2.864 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.746 2.763 -0.908 1.00 0.00 C ATOM 754 CZ PHE A 50 7.877 2.245 -1.509 1.00 0.00 C ATOM 0 H PHE A 50 5.773 7.068 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 50 6.175 5.505 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.117 4.584 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.671 3.756 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.306 3.244 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.934 3.855 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.961 2.017 -3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.588 2.629 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.603 1.704 -0.920 1.00 0.00 H new ATOM 764 N THR A 51 4.031 6.455 -6.161 1.00 0.00 N ATOM 765 CA THR A 51 2.940 7.224 -6.745 1.00 0.00 C ATOM 766 C THR A 51 1.817 6.311 -7.224 1.00 0.00 C ATOM 767 O THR A 51 1.986 5.551 -8.179 1.00 0.00 O ATOM 768 CB THR A 51 3.427 8.083 -7.927 1.00 0.00 C ATOM 769 OG1 THR A 51 4.556 8.868 -7.529 1.00 0.00 O ATOM 770 CG2 THR A 51 2.318 8.996 -8.426 1.00 0.00 C ATOM 0 H THR A 51 4.505 5.833 -6.816 1.00 0.00 H new ATOM 0 HA THR A 51 2.562 7.880 -5.961 1.00 0.00 H new ATOM 0 HB THR A 51 3.717 7.415 -8.738 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.861 9.410 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.686 9.593 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.472 8.394 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.001 9.657 -7.620 1.00 0.00 H new ATOM 778 N LEU A 52 0.672 6.389 -6.556 1.00 0.00 N ATOM 779 CA LEU A 52 -0.480 5.568 -6.914 1.00 0.00 C ATOM 780 C LEU A 52 -1.774 6.369 -6.806 1.00 0.00 C ATOM 781 O LEU A 52 -1.981 7.136 -5.865 1.00 0.00 O ATOM 782 CB LEU A 52 -0.553 4.335 -6.012 1.00 0.00 C ATOM 783 CG LEU A 52 0.761 3.585 -5.793 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.485 4.125 -4.569 1.00 0.00 C ATOM 785 CD2 LEU A 52 0.505 2.092 -5.648 1.00 0.00 C ATOM 0 H LEU A 52 0.516 7.012 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.358 5.247 -7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.939 4.643 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.278 3.641 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 52 1.397 3.741 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.418 3.580 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.701 5.184 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.855 3.999 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.451 1.574 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.149 1.916 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.029 1.715 -6.553 1.00 0.00 H new ATOM 797 N PRO A 53 -2.667 6.188 -7.790 1.00 0.00 N ATOM 798 CA PRO A 53 -3.957 6.883 -7.826 1.00 0.00 C ATOM 799 C PRO A 53 -4.909 6.395 -6.739 1.00 0.00 C ATOM 800 O PRO A 53 -4.621 5.424 -6.037 1.00 0.00 O ATOM 801 CB PRO A 53 -4.507 6.538 -9.212 1.00 0.00 C ATOM 802 CG PRO A 53 -3.853 5.248 -9.569 1.00 0.00 C ATOM 803 CD PRO A 53 -2.486 5.289 -8.942 1.00 0.00 C ATOM 0 HA PRO A 53 -3.848 7.953 -7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.592 6.440 -9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.269 7.316 -9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.429 4.402 -9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.783 5.132 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.157 4.298 -8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.737 5.670 -9.636 1.00 0.00 H new ATOM 811 N LEU A 54 -6.043 7.073 -6.604 1.00 0.00 N ATOM 812 CA LEU A 54 -7.039 6.709 -5.602 1.00 0.00 C ATOM 813 C LEU A 54 -8.095 5.783 -6.196 1.00 0.00 C ATOM 814 O LEU A 54 -9.158 6.231 -6.627 1.00 0.00 O ATOM 815 CB LEU A 54 -7.704 7.964 -5.035 1.00 0.00 C ATOM 816 CG LEU A 54 -6.866 8.783 -4.054 1.00 0.00 C ATOM 817 CD1 LEU A 54 -6.492 7.944 -2.842 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.618 9.321 -4.738 1.00 0.00 C ATOM 0 H LEU A 54 -6.296 7.879 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.531 6.180 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.986 8.609 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.626 7.668 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.463 9.629 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.895 8.544 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.398 7.608 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.914 7.078 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.034 9.902 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.018 8.489 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.907 9.958 -5.574 1.00 0.00 H new ATOM 830 N THR A 55 -7.797 4.487 -6.214 1.00 0.00 N ATOM 831 CA THR A 55 -8.721 3.498 -6.754 1.00 0.00 C ATOM 832 C THR A 55 -8.954 2.364 -5.762 1.00 0.00 C ATOM 833 O THR A 55 -10.090 2.086 -5.378 1.00 0.00 O ATOM 834 CB THR A 55 -8.202 2.907 -8.078 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.823 2.543 -7.944 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.359 3.906 -9.215 1.00 0.00 C ATOM 0 H THR A 55 -6.923 4.098 -5.861 1.00 0.00 H new ATOM 0 HA THR A 55 -9.663 4.015 -6.940 1.00 0.00 H new ATOM 0 HB THR A 55 -8.791 2.020 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.500 2.166 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.986 3.466 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.412 4.160 -9.333 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.792 4.808 -8.987 1.00 0.00 H new ATOM 844 N ASP A 56 -7.871 1.713 -5.350 1.00 0.00 N ATOM 845 CA ASP A 56 -7.957 0.610 -4.400 1.00 0.00 C ATOM 846 C ASP A 56 -7.812 1.114 -2.967 1.00 0.00 C ATOM 847 O ASP A 56 -7.738 2.318 -2.728 1.00 0.00 O ATOM 848 CB ASP A 56 -6.880 -0.434 -4.699 1.00 0.00 C ATOM 849 CG ASP A 56 -7.334 -1.458 -5.720 1.00 0.00 C ATOM 850 OD1 ASP A 56 -8.540 -1.783 -5.739 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.484 -1.934 -6.501 1.00 0.00 O ATOM 0 H ASP A 56 -6.924 1.930 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.939 0.148 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.984 0.067 -5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.605 -0.943 -3.775 1.00 0.00 H new ATOM 856 N GLN A 57 -7.773 0.183 -2.020 1.00 0.00 N ATOM 857 CA GLN A 57 -7.638 0.533 -0.611 1.00 0.00 C ATOM 858 C GLN A 57 -6.174 0.511 -0.182 1.00 0.00 C ATOM 859 O GLN A 57 -5.312 0.014 -0.906 1.00 0.00 O ATOM 860 CB GLN A 57 -8.451 -0.430 0.256 1.00 0.00 C ATOM 861 CG GLN A 57 -9.947 -0.369 -0.005 1.00 0.00 C ATOM 862 CD GLN A 57 -10.647 -1.678 0.302 1.00 0.00 C ATOM 863 OE1 GLN A 57 -10.032 -2.745 0.279 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.940 -1.604 0.592 1.00 0.00 N ATOM 0 H GLN A 57 -7.833 -0.819 -2.202 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.022 1.544 -0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.101 -1.447 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.264 -0.206 1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.386 0.424 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.119 -0.105 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.410 -0.699 0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.464 -2.452 0.807 1.00 0.00 H new ATOM 873 N VAL A 58 -5.901 1.053 1.001 1.00 0.00 N ATOM 874 CA VAL A 58 -4.542 1.094 1.527 1.00 0.00 C ATOM 875 C VAL A 58 -3.828 -0.235 1.311 1.00 0.00 C ATOM 876 O VAL A 58 -2.607 -0.279 1.163 1.00 0.00 O ATOM 877 CB VAL A 58 -4.532 1.431 3.030 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.106 1.475 3.558 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.244 2.751 3.285 1.00 0.00 C ATOM 0 H VAL A 58 -6.603 1.470 1.613 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.016 1.878 0.982 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.068 0.646 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.119 1.714 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.633 0.504 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.543 2.238 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.227 2.973 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.738 3.548 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.277 2.679 2.946 1.00 0.00 H new ATOM 889 N SER A 59 -4.598 -1.318 1.292 1.00 0.00 N ATOM 890 CA SER A 59 -4.039 -2.651 1.097 1.00 0.00 C ATOM 891 C SER A 59 -3.012 -2.649 -0.031 1.00 0.00 C ATOM 892 O SER A 59 -1.958 -3.276 0.073 1.00 0.00 O ATOM 893 CB SER A 59 -5.152 -3.653 0.786 1.00 0.00 C ATOM 894 OG SER A 59 -5.809 -3.327 -0.426 1.00 0.00 O ATOM 0 H SER A 59 -5.611 -1.299 1.409 1.00 0.00 H new ATOM 0 HA SER A 59 -3.540 -2.948 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.733 -4.657 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.874 -3.664 1.603 1.00 0.00 H new ATOM 0 HG SER A 59 -6.515 -3.984 -0.603 1.00 0.00 H new ATOM 900 N VAL A 60 -3.327 -1.938 -1.109 1.00 0.00 N ATOM 901 CA VAL A 60 -2.432 -1.853 -2.257 1.00 0.00 C ATOM 902 C VAL A 60 -1.106 -1.206 -1.873 1.00 0.00 C ATOM 903 O VAL A 60 -0.054 -1.564 -2.402 1.00 0.00 O ATOM 904 CB VAL A 60 -3.069 -1.048 -3.406 1.00 0.00 C ATOM 905 CG1 VAL A 60 -4.157 -1.863 -4.090 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.624 0.270 -2.889 1.00 0.00 C ATOM 0 H VAL A 60 -4.195 -1.413 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.251 -2.874 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.297 -0.826 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.595 -1.278 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.725 -2.778 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.931 -2.118 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.070 0.826 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.383 0.073 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.817 0.857 -2.450 1.00 0.00 H new ATOM 916 N ILE A 61 -1.164 -0.254 -0.949 1.00 0.00 N ATOM 917 CA ILE A 61 0.033 0.442 -0.493 1.00 0.00 C ATOM 918 C ILE A 61 1.021 -0.528 0.146 1.00 0.00 C ATOM 919 O ILE A 61 2.214 -0.239 0.247 1.00 0.00 O ATOM 920 CB ILE A 61 -0.311 1.549 0.521 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.089 2.674 -0.165 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.957 2.090 1.164 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.627 3.710 0.797 1.00 0.00 C ATOM 0 H ILE A 61 -2.027 0.054 -0.501 1.00 0.00 H new ATOM 0 HA ILE A 61 0.489 0.896 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.939 1.123 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.439 3.165 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.920 2.242 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.698 2.872 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.475 1.283 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.608 2.504 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.167 4.477 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.303 3.232 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.799 4.169 1.338 1.00 0.00 H new ATOM 935 N LYS A 62 0.518 -1.680 0.575 1.00 0.00 N ATOM 936 CA LYS A 62 1.356 -2.696 1.202 1.00 0.00 C ATOM 937 C LYS A 62 2.272 -3.354 0.176 1.00 0.00 C ATOM 938 O LYS A 62 3.482 -3.453 0.381 1.00 0.00 O ATOM 939 CB LYS A 62 0.486 -3.756 1.881 1.00 0.00 C ATOM 940 CG LYS A 62 -0.430 -3.196 2.954 1.00 0.00 C ATOM 941 CD LYS A 62 0.317 -2.954 4.255 1.00 0.00 C ATOM 942 CE LYS A 62 -0.599 -2.382 5.326 1.00 0.00 C ATOM 943 NZ LYS A 62 -1.626 -3.369 5.762 1.00 0.00 N ATOM 0 H LYS A 62 -0.467 -1.934 0.500 1.00 0.00 H new ATOM 0 HA LYS A 62 1.975 -2.208 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.118 -4.257 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.132 -4.513 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.870 -2.261 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.253 -3.889 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.749 -3.891 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.145 -2.267 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.004 -2.073 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.093 -1.489 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.575 -2.995 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.490 -4.262 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.531 -3.540 6.783 1.00 0.00 H new ATOM 957 N VAL A 63 1.688 -3.804 -0.930 1.00 0.00 N ATOM 958 CA VAL A 63 2.452 -4.451 -1.990 1.00 0.00 C ATOM 959 C VAL A 63 3.716 -3.664 -2.315 1.00 0.00 C ATOM 960 O VAL A 63 4.750 -4.240 -2.654 1.00 0.00 O ATOM 961 CB VAL A 63 1.613 -4.606 -3.272 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.613 -3.311 -4.070 1.00 0.00 C ATOM 963 CG2 VAL A 63 2.136 -5.760 -4.114 1.00 0.00 C ATOM 0 H VAL A 63 0.688 -3.732 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 63 2.727 -5.440 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 63 0.585 -4.830 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.015 -3.440 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.188 -2.510 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.636 -3.054 -4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.532 -5.855 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.173 -5.568 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.079 -6.685 -3.540 1.00 0.00 H new ATOM 973 N LYS A 64 3.627 -2.342 -2.209 1.00 0.00 N ATOM 974 CA LYS A 64 4.764 -1.473 -2.489 1.00 0.00 C ATOM 975 C LYS A 64 5.920 -1.766 -1.538 1.00 0.00 C ATOM 976 O LYS A 64 7.058 -1.955 -1.970 1.00 0.00 O ATOM 977 CB LYS A 64 4.352 -0.004 -2.370 1.00 0.00 C ATOM 978 CG LYS A 64 3.351 0.434 -3.425 1.00 0.00 C ATOM 979 CD LYS A 64 4.046 0.993 -4.655 1.00 0.00 C ATOM 980 CE LYS A 64 4.326 -0.094 -5.681 1.00 0.00 C ATOM 981 NZ LYS A 64 5.688 -0.675 -5.515 1.00 0.00 N ATOM 0 H LYS A 64 2.778 -1.849 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 64 5.096 -1.669 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.924 0.166 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.242 0.621 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.729 -0.414 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.687 1.190 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.424 1.767 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.983 1.467 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.580 -0.883 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.227 0.320 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.274 -0.426 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.124 -0.295 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.617 -1.710 -5.441 1.00 0.00 H new ATOM 995 N ILE A 65 5.621 -1.803 -0.244 1.00 0.00 N ATOM 996 CA ILE A 65 6.636 -2.076 0.766 1.00 0.00 C ATOM 997 C ILE A 65 7.259 -3.452 0.562 1.00 0.00 C ATOM 998 O ILE A 65 8.451 -3.570 0.277 1.00 0.00 O ATOM 999 CB ILE A 65 6.050 -1.995 2.188 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.506 -0.591 2.461 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.105 -2.370 3.218 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.414 -0.559 3.506 1.00 0.00 C ATOM 0 H ILE A 65 4.685 -1.647 0.130 1.00 0.00 H new ATOM 0 HA ILE A 65 7.406 -1.312 0.655 1.00 0.00 H new ATOM 0 HB ILE A 65 5.226 -2.704 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.326 0.051 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.120 -0.172 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.676 -2.308 4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.448 -3.388 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.948 -1.683 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.076 0.468 3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.577 -1.174 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.801 -0.947 4.448 1.00 0.00 H new ATOM 1014 N HIS A 66 6.444 -4.492 0.709 1.00 0.00 N ATOM 1015 CA HIS A 66 6.915 -5.862 0.538 1.00 0.00 C ATOM 1016 C HIS A 66 7.884 -5.961 -0.637 1.00 0.00 C ATOM 1017 O HIS A 66 8.842 -6.732 -0.599 1.00 0.00 O ATOM 1018 CB HIS A 66 5.733 -6.807 0.320 1.00 0.00 C ATOM 1019 CG HIS A 66 6.115 -8.255 0.320 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.434 -8.949 -0.828 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.231 -9.140 1.337 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.727 -10.199 -0.517 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.612 -10.341 0.791 1.00 0.00 N ATOM 0 H HIS A 66 5.455 -4.412 0.946 1.00 0.00 H new ATOM 0 HA HIS A 66 7.442 -6.155 1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.992 -6.635 1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.256 -6.566 -0.630 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.056 -8.939 2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.012 -10.973 -1.214 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.779 -11.202 1.311 1.00 0.00 H new ATOM 1032 N GLU A 67 7.625 -5.177 -1.679 1.00 0.00 N ATOM 1033 CA GLU A 67 8.473 -5.179 -2.865 1.00 0.00 C ATOM 1034 C GLU A 67 9.930 -4.915 -2.492 1.00 0.00 C ATOM 1035 O GLU A 67 10.787 -5.785 -2.642 1.00 0.00 O ATOM 1036 CB GLU A 67 7.992 -4.126 -3.865 1.00 0.00 C ATOM 1037 CG GLU A 67 8.201 -4.524 -5.316 1.00 0.00 C ATOM 1038 CD GLU A 67 9.562 -5.146 -5.561 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.689 -6.378 -5.403 1.00 0.00 O ATOM 1040 OE2 GLU A 67 10.501 -4.400 -5.909 1.00 0.00 O ATOM 0 H GLU A 67 6.835 -4.533 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 67 8.407 -6.164 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.932 -3.936 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.517 -3.190 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.425 -5.230 -5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.088 -3.644 -5.950 1.00 0.00 H new ATOM 1047 N ALA A 68 10.200 -3.708 -2.007 1.00 0.00 N ATOM 1048 CA ALA A 68 11.551 -3.329 -1.611 1.00 0.00 C ATOM 1049 C ALA A 68 12.009 -4.121 -0.392 1.00 0.00 C ATOM 1050 O ALA A 68 12.967 -4.891 -0.462 1.00 0.00 O ATOM 1051 CB ALA A 68 11.619 -1.835 -1.329 1.00 0.00 C ATOM 0 H ALA A 68 9.502 -2.976 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 68 12.224 -3.563 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.633 -1.566 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.343 -1.282 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.929 -1.585 -0.523 1.00 0.00 H new ATOM 1057 N THR A 69 11.318 -3.927 0.728 1.00 0.00 N ATOM 1058 CA THR A 69 11.655 -4.622 1.964 1.00 0.00 C ATOM 1059 C THR A 69 10.894 -5.938 2.080 1.00 0.00 C ATOM 1060 O THR A 69 9.824 -6.101 1.495 1.00 0.00 O ATOM 1061 CB THR A 69 11.347 -3.754 3.198 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.931 -3.648 3.382 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.949 -2.365 3.047 1.00 0.00 C ATOM 0 H THR A 69 10.522 -3.294 0.804 1.00 0.00 H new ATOM 0 HA THR A 69 12.725 -4.826 1.930 1.00 0.00 H new ATOM 0 HB THR A 69 11.791 -4.232 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.744 -3.096 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.718 -1.770 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.030 -2.447 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.530 -1.881 2.165 1.00 0.00 H new ATOM 1071 N GLY A 70 11.453 -6.875 2.839 1.00 0.00 N ATOM 1072 CA GLY A 70 10.813 -8.165 3.018 1.00 0.00 C ATOM 1073 C GLY A 70 9.789 -8.154 4.136 1.00 0.00 C ATOM 1074 O GLY A 70 9.737 -9.077 4.948 1.00 0.00 O ATOM 0 H GLY A 70 12.338 -6.764 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.327 -8.458 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.572 -8.917 3.232 1.00 0.00 H new ATOM 1078 N MET A 71 8.974 -7.105 4.180 1.00 0.00 N ATOM 1079 CA MET A 71 7.947 -6.977 5.207 1.00 0.00 C ATOM 1080 C MET A 71 6.587 -7.415 4.674 1.00 0.00 C ATOM 1081 O MET A 71 6.132 -6.966 3.622 1.00 0.00 O ATOM 1082 CB MET A 71 7.872 -5.533 5.707 1.00 0.00 C ATOM 1083 CG MET A 71 7.379 -5.411 7.139 1.00 0.00 C ATOM 1084 SD MET A 71 7.728 -3.794 7.858 1.00 0.00 S ATOM 1085 CE MET A 71 7.302 -4.087 9.573 1.00 0.00 C ATOM 0 H MET A 71 9.005 -6.331 3.516 1.00 0.00 H new ATOM 0 HA MET A 71 8.217 -7.628 6.039 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.860 -5.079 5.632 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.210 -4.965 5.054 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.304 -5.592 7.166 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.848 -6.184 7.748 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.413 -3.511 9.831 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.103 -5.148 9.722 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.130 -3.780 10.211 1.00 0.00 H new ATOM 1095 N PRO A 72 5.921 -8.313 5.415 1.00 0.00 N ATOM 1096 CA PRO A 72 4.603 -8.831 5.036 1.00 0.00 C ATOM 1097 C PRO A 72 3.509 -7.775 5.155 1.00 0.00 C ATOM 1098 O PRO A 72 3.676 -6.770 5.845 1.00 0.00 O ATOM 1099 CB PRO A 72 4.365 -9.963 6.038 1.00 0.00 C ATOM 1100 CG PRO A 72 5.192 -9.601 7.223 1.00 0.00 C ATOM 1101 CD PRO A 72 6.403 -8.892 6.681 1.00 0.00 C ATOM 0 HA PRO A 72 4.575 -9.152 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.310 -10.043 6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.665 -10.926 5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.636 -8.958 7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.479 -10.490 7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.758 -8.122 7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.232 -9.580 6.518 1.00 0.00 H new ATOM 1109 N ALA A 73 2.389 -8.011 4.479 1.00 0.00 N ATOM 1110 CA ALA A 73 1.267 -7.081 4.511 1.00 0.00 C ATOM 1111 C ALA A 73 0.300 -7.428 5.637 1.00 0.00 C ATOM 1112 O ALA A 73 -0.912 -7.483 5.432 1.00 0.00 O ATOM 1113 CB ALA A 73 0.544 -7.080 3.173 1.00 0.00 C ATOM 0 H ALA A 73 2.235 -8.838 3.903 1.00 0.00 H new ATOM 0 HA ALA A 73 1.660 -6.082 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.292 -6.381 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.235 -6.777 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.170 -8.082 2.961 1.00 0.00 H new ATOM 1119 N GLY A 74 0.843 -7.661 6.828 1.00 0.00 N ATOM 1120 CA GLY A 74 0.013 -8.000 7.969 1.00 0.00 C ATOM 1121 C GLY A 74 0.516 -7.379 9.257 1.00 0.00 C ATOM 1122 O GLY A 74 -0.164 -6.550 9.862 1.00 0.00 O ATOM 0 H GLY A 74 1.843 -7.621 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.008 -7.667 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.021 -9.084 8.081 1.00 0.00 H new ATOM 1126 N LYS A 75 1.709 -7.782 9.680 1.00 0.00 N ATOM 1127 CA LYS A 75 2.304 -7.261 10.905 1.00 0.00 C ATOM 1128 C LYS A 75 2.459 -5.745 10.832 1.00 0.00 C ATOM 1129 O LYS A 75 1.905 -5.015 11.653 1.00 0.00 O ATOM 1130 CB LYS A 75 3.666 -7.913 11.153 1.00 0.00 C ATOM 1131 CG LYS A 75 3.575 -9.283 11.802 1.00 0.00 C ATOM 1132 CD LYS A 75 4.802 -9.582 12.647 1.00 0.00 C ATOM 1133 CE LYS A 75 4.485 -10.571 13.758 1.00 0.00 C ATOM 1134 NZ LYS A 75 4.403 -11.968 13.251 1.00 0.00 N ATOM 0 H LYS A 75 2.284 -8.469 9.192 1.00 0.00 H new ATOM 0 HA LYS A 75 1.638 -7.501 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.194 -8.004 10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.263 -7.258 11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.682 -9.333 12.425 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.469 -10.046 11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.592 -9.985 12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.182 -8.656 13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.253 -10.509 14.529 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.540 -10.299 14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.185 -12.611 14.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.653 -12.033 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.313 -12.237 12.826 1.00 0.00 H new ATOM 1148 N GLN A 76 3.216 -5.279 9.843 1.00 0.00 N ATOM 1149 CA GLN A 76 3.443 -3.850 9.663 1.00 0.00 C ATOM 1150 C GLN A 76 2.146 -3.067 9.839 1.00 0.00 C ATOM 1151 O GLN A 76 1.070 -3.534 9.465 1.00 0.00 O ATOM 1152 CB GLN A 76 4.034 -3.577 8.279 1.00 0.00 C ATOM 1153 CG GLN A 76 3.035 -3.745 7.146 1.00 0.00 C ATOM 1154 CD GLN A 76 3.379 -2.902 5.934 1.00 0.00 C ATOM 1155 OE1 GLN A 76 3.283 -1.675 5.969 1.00 0.00 O ATOM 1156 NE2 GLN A 76 3.783 -3.557 4.853 1.00 0.00 N ATOM 0 H GLN A 76 3.682 -5.870 9.155 1.00 0.00 H new ATOM 0 HA GLN A 76 4.151 -3.521 10.424 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.429 -2.561 8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.875 -4.250 8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.996 -4.795 6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.040 -3.475 7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.848 -4.575 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.029 -3.043 4.007 1.00 0.00 H new ATOM 1165 N LYS A 77 2.256 -1.873 10.412 1.00 0.00 N ATOM 1166 CA LYS A 77 1.093 -1.022 10.637 1.00 0.00 C ATOM 1167 C LYS A 77 1.300 0.357 10.020 1.00 0.00 C ATOM 1168 O LYS A 77 2.136 1.136 10.480 1.00 0.00 O ATOM 1169 CB LYS A 77 0.819 -0.886 12.137 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.635 -0.591 12.465 1.00 0.00 C ATOM 1171 CD LYS A 77 -1.021 -1.141 13.827 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.624 -0.190 14.946 1.00 0.00 C ATOM 1173 NZ LYS A 77 -1.492 -0.350 16.145 1.00 0.00 N ATOM 0 H LYS A 77 3.139 -1.473 10.729 1.00 0.00 H new ATOM 0 HA LYS A 77 0.233 -1.489 10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.116 -1.808 12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.443 -0.089 12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.802 0.486 12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.277 -1.027 11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.097 -1.313 13.859 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.539 -2.106 13.981 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.415 -0.369 15.223 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.685 0.838 14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.827 0.583 16.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.308 -0.949 15.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.948 -0.797 16.910 1.00 0.00 H new ATOM 1187 N LEU A 78 0.533 0.654 8.977 1.00 0.00 N ATOM 1188 CA LEU A 78 0.630 1.941 8.297 1.00 0.00 C ATOM 1189 C LEU A 78 -0.200 3.001 9.015 1.00 0.00 C ATOM 1190 O LEU A 78 -1.332 2.743 9.423 1.00 0.00 O ATOM 1191 CB LEU A 78 0.166 1.810 6.846 1.00 0.00 C ATOM 1192 CG LEU A 78 0.825 0.699 6.027 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.193 0.606 4.647 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.324 0.937 5.915 1.00 0.00 C ATOM 0 H LEU A 78 -0.163 0.021 8.584 1.00 0.00 H new ATOM 0 HA LEU A 78 1.674 2.253 8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.911 1.645 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.344 2.760 6.342 1.00 0.00 H new ATOM 0 HG LEU A 78 0.665 -0.249 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.675 -0.190 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.870 0.387 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.321 1.554 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.777 0.137 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.505 1.893 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.766 0.951 6.911 1.00 0.00 H new ATOM 1206 N GLN A 79 0.371 4.192 9.163 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.318 5.290 9.830 1.00 0.00 C ATOM 1208 C GLN A 79 -0.262 6.560 8.987 1.00 0.00 C ATOM 1209 O GLN A 79 0.686 6.773 8.230 1.00 0.00 O ATOM 1210 CB GLN A 79 0.302 5.549 11.204 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.667 6.160 12.204 1.00 0.00 C ATOM 1212 CD GLN A 79 0.001 6.531 13.513 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.140 6.998 13.531 1.00 0.00 O ATOM 1214 NE2 GLN A 79 -0.706 6.324 14.618 1.00 0.00 N ATOM 0 H GLN A 79 1.308 4.421 8.830 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.363 5.006 9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.681 4.609 11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.158 6.214 11.088 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.121 7.050 11.767 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.474 5.454 12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.647 5.935 14.556 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.308 6.554 15.529 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.282 7.399 9.122 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.351 8.647 8.370 1.00 0.00 C ATOM 1225 C TYR A 80 -1.949 9.763 9.221 1.00 0.00 C ATOM 1226 O TYR A 80 -2.987 9.585 9.856 1.00 0.00 O ATOM 1227 CB TYR A 80 -2.182 8.457 7.100 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.772 9.742 6.565 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.958 10.734 6.034 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -4.143 9.964 6.591 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.492 11.910 5.544 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.686 11.136 6.102 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.857 12.106 5.579 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.394 13.276 5.093 1.00 0.00 O ATOM 0 H TYR A 80 -2.073 7.238 9.745 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.336 8.931 8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.556 8.006 6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.989 7.754 7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.889 10.583 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.796 9.207 7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.844 12.672 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.754 11.292 6.129 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.369 13.254 5.191 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.285 10.915 9.226 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.750 12.061 9.998 1.00 0.00 C ATOM 1246 C GLU A 81 -2.297 11.618 11.353 1.00 0.00 C ATOM 1247 O GLU A 81 -3.342 12.092 11.797 1.00 0.00 O ATOM 1248 CB GLU A 81 -2.828 12.822 9.224 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.270 13.790 8.195 1.00 0.00 C ATOM 1250 CD GLU A 81 -1.413 14.874 8.819 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -1.860 15.488 9.810 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -0.294 15.108 8.316 1.00 0.00 O ATOM 0 H GLU A 81 -0.424 11.079 8.704 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.900 12.722 10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.477 12.105 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.449 13.374 9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.677 13.238 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.094 14.252 7.651 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.582 10.705 12.004 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.012 10.213 13.299 1.00 0.00 C ATOM 1261 C GLY A 82 -3.234 9.322 13.205 1.00 0.00 C ATOM 1262 O GLY A 82 -4.079 9.319 14.101 1.00 0.00 O ATOM 0 H GLY A 82 -0.713 10.298 11.657 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.196 9.658 13.762 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.232 11.059 13.950 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.329 8.564 12.118 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.458 7.665 11.910 1.00 0.00 C ATOM 1268 C ILE A 83 -3.984 6.242 11.636 1.00 0.00 C ATOM 1269 O ILE A 83 -3.143 6.013 10.766 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.343 8.134 10.741 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -5.892 9.535 11.017 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.481 7.150 10.510 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.487 10.203 9.797 1.00 0.00 C ATOM 0 H ILE A 83 -2.638 8.554 11.368 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.046 7.679 12.828 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.734 8.175 9.838 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.654 9.471 11.794 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.089 10.160 11.408 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.098 7.495 9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.071 6.168 10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.091 7.081 11.411 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.856 11.192 10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.723 10.299 9.026 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.312 9.599 9.417 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.530 5.288 12.382 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.164 3.886 12.219 1.00 0.00 C ATOM 1287 C PHE A 84 -4.830 3.290 10.982 1.00 0.00 C ATOM 1288 O PHE A 84 -5.487 2.251 11.057 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.561 3.085 13.461 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.565 3.183 14.581 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.233 2.865 14.370 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -3.960 3.593 15.844 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.314 2.953 15.399 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.046 3.683 16.877 1.00 0.00 C ATOM 1295 CZ PHE A 84 -1.721 3.364 16.653 1.00 0.00 C ATOM 0 H PHE A 84 -5.228 5.460 13.106 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.083 3.832 12.090 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.530 3.436 13.816 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.683 2.038 13.184 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.909 2.545 13.391 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.995 3.845 16.024 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.279 2.701 15.222 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.367 4.002 17.857 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.004 3.436 17.458 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.656 3.956 9.845 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.240 3.493 8.592 1.00 0.00 C ATOM 1307 C ILE A 85 -5.112 1.980 8.453 1.00 0.00 C ATOM 1308 O ILE A 85 -4.084 1.398 8.797 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.573 4.167 7.378 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.055 3.986 7.437 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.935 5.644 7.328 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.380 4.103 6.088 1.00 0.00 C ATOM 0 H ILE A 85 -4.116 4.817 9.766 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.295 3.766 8.615 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.941 3.692 6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.634 4.732 8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.830 3.008 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.456 6.107 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.016 5.751 7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.592 6.134 8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.305 3.964 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.773 3.339 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.574 5.090 5.668 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.165 1.348 7.945 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.172 -0.098 7.756 1.00 0.00 C ATOM 1326 C LYS A 86 -6.326 -0.453 6.280 1.00 0.00 C ATOM 1327 O LYS A 86 -6.786 0.362 5.481 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.304 -0.734 8.566 1.00 0.00 C ATOM 1329 CG LYS A 86 -6.897 -1.130 9.974 1.00 0.00 C ATOM 1330 CD LYS A 86 -8.092 -1.166 10.911 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.659 -1.309 12.362 1.00 0.00 C ATOM 1332 NZ LYS A 86 -7.146 -0.026 12.917 1.00 0.00 N ATOM 0 H LYS A 86 -7.025 1.815 7.657 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.218 -0.490 8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.138 -0.034 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.664 -1.618 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.420 -2.110 9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.158 -0.424 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.676 -0.253 10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.743 -1.998 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.503 -1.652 12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.884 -2.072 12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.893 -0.157 13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.305 0.271 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.882 0.705 12.839 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.941 -1.674 5.927 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.039 -2.138 4.548 1.00 0.00 C ATOM 1348 C ASP A 87 -7.491 -2.148 4.080 1.00 0.00 C ATOM 1349 O ASP A 87 -7.779 -1.871 2.916 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.438 -3.539 4.415 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.705 -4.402 5.632 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -5.234 -4.040 6.730 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.385 -5.440 5.486 1.00 0.00 O ATOM 0 H ASP A 87 -5.558 -2.361 6.577 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.477 -1.448 3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.850 -4.025 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.362 -3.456 4.261 1.00 0.00 H new ATOM 1358 N SER A 88 -8.400 -2.468 4.995 1.00 0.00 N ATOM 1359 CA SER A 88 -9.822 -2.518 4.674 1.00 0.00 C ATOM 1360 C SER A 88 -10.370 -1.118 4.415 1.00 0.00 C ATOM 1361 O SER A 88 -11.409 -0.955 3.776 1.00 0.00 O ATOM 1362 CB SER A 88 -10.600 -3.180 5.814 1.00 0.00 C ATOM 1363 OG SER A 88 -11.912 -3.524 5.403 1.00 0.00 O ATOM 0 H SER A 88 -8.178 -2.696 5.964 1.00 0.00 H new ATOM 0 HA SER A 88 -9.945 -3.110 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.073 -4.074 6.147 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.648 -2.503 6.667 1.00 0.00 H new ATOM 0 HG SER A 88 -12.388 -3.947 6.148 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.662 -0.111 4.915 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.077 1.276 4.738 1.00 0.00 C ATOM 1371 C ASN A 89 -9.611 1.816 3.389 1.00 0.00 C ATOM 1372 O ASN A 89 -8.451 1.651 3.010 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.520 2.145 5.868 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.212 1.885 7.192 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -10.102 0.658 7.686 1.00 0.00 O flip ATOM 1376 ND2 ASN A 89 -10.839 2.778 7.763 1.00 0.00 N flip ATOM 0 H ASN A 89 -8.799 -0.229 5.446 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.166 1.309 4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.452 1.955 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.632 3.196 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.897 3.707 7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.300 2.589 8.653 1.00 0.00 H new ATOM 1383 N SER A 90 -10.522 2.462 2.669 1.00 0.00 N ATOM 1384 CA SER A 90 -10.206 3.024 1.361 1.00 0.00 C ATOM 1385 C SER A 90 -9.301 4.244 1.499 1.00 0.00 C ATOM 1386 O SER A 90 -9.289 4.910 2.535 1.00 0.00 O ATOM 1387 CB SER A 90 -11.490 3.407 0.623 1.00 0.00 C ATOM 1388 OG SER A 90 -11.216 3.784 -0.715 1.00 0.00 O ATOM 0 H SER A 90 -11.486 2.609 2.969 1.00 0.00 H new ATOM 0 HA SER A 90 -9.678 2.265 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.183 2.566 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.980 4.230 1.143 1.00 0.00 H new ATOM 0 HG SER A 90 -12.053 4.022 -1.166 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.543 4.532 0.446 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.633 5.672 0.447 1.00 0.00 C ATOM 1396 C LEU A 91 -8.393 6.975 0.217 1.00 0.00 C ATOM 1397 O LEU A 91 -8.071 8.005 0.808 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.562 5.496 -0.630 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.304 4.736 -0.208 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.644 4.084 -1.413 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.329 5.669 0.496 1.00 0.00 C ATOM 0 H LEU A 91 -8.541 3.992 -0.419 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.152 5.721 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.009 4.976 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.264 6.483 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.594 3.951 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.751 3.548 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.341 3.385 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.367 4.851 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.439 5.112 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.045 6.476 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.803 6.089 1.383 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.404 6.920 -0.644 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.212 8.094 -0.948 1.00 0.00 C ATOM 1415 C ALA A 92 -10.996 8.554 0.276 1.00 0.00 C ATOM 1416 O ALA A 92 -11.088 9.750 0.553 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.158 7.799 -2.103 1.00 0.00 C ATOM 0 H ALA A 92 -9.683 6.075 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.540 8.901 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.755 8.685 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.580 7.527 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.817 6.974 -1.832 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.560 7.597 1.005 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.340 7.905 2.198 1.00 0.00 C ATOM 1425 C TYR A 93 -11.572 8.844 3.123 1.00 0.00 C ATOM 1426 O TYR A 93 -12.128 9.811 3.645 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.699 6.618 2.943 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.412 6.857 4.255 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -14.774 7.130 4.288 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -12.724 6.809 5.461 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -15.430 7.350 5.483 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -13.372 7.026 6.662 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.725 7.297 6.668 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.375 7.514 7.861 1.00 0.00 O ATOM 0 H TYR A 93 -11.492 6.602 0.791 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.257 8.404 1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.330 6.002 2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.787 6.051 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.329 7.171 3.363 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.665 6.599 5.460 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.489 7.562 5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.823 6.984 7.591 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.736 7.440 8.600 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.291 8.553 3.320 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.446 9.369 4.183 1.00 0.00 C ATOM 1446 C TYR A 94 -9.253 10.764 3.595 1.00 0.00 C ATOM 1447 O TYR A 94 -9.033 11.731 4.323 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.087 8.697 4.385 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.151 7.440 5.223 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.713 7.457 6.493 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.651 6.236 4.743 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.774 6.311 7.262 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.709 5.085 5.505 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.271 5.127 6.764 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.330 3.983 7.526 1.00 0.00 O ATOM 0 H TYR A 94 -9.815 7.758 2.894 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.943 9.466 5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.664 8.453 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.408 9.405 4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.109 8.382 6.886 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.210 6.199 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.213 6.342 8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.316 4.157 5.117 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.755 4.184 8.386 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.339 10.859 2.272 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.174 12.134 1.585 1.00 0.00 C ATOM 1467 C ASN A 95 -7.775 12.698 1.811 1.00 0.00 C ATOM 1468 O ASN A 95 -7.616 13.857 2.192 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.224 13.137 2.068 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.518 13.043 1.283 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.794 13.875 0.419 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.319 12.026 1.582 1.00 0.00 N ATOM 0 H ASN A 95 -9.522 10.068 1.655 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.309 11.962 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.430 12.963 3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.823 14.147 1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.204 11.911 1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.049 11.360 2.306 1.00 0.00 H new ATOM 1479 N MET A 96 -6.763 11.869 1.574 1.00 0.00 N ATOM 1480 CA MET A 96 -5.377 12.285 1.750 1.00 0.00 C ATOM 1481 C MET A 96 -4.994 13.347 0.724 1.00 0.00 C ATOM 1482 O MET A 96 -5.800 13.721 -0.127 1.00 0.00 O ATOM 1483 CB MET A 96 -4.441 11.081 1.629 1.00 0.00 C ATOM 1484 CG MET A 96 -4.657 10.033 2.708 1.00 0.00 C ATOM 1485 SD MET A 96 -3.207 8.991 2.965 1.00 0.00 S ATOM 1486 CE MET A 96 -3.919 7.647 3.910 1.00 0.00 C ATOM 0 H MET A 96 -6.877 10.905 1.260 1.00 0.00 H new ATOM 0 HA MET A 96 -5.277 12.715 2.747 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.581 10.619 0.652 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.409 11.428 1.672 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.914 10.529 3.644 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.506 9.406 2.436 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.334 7.490 4.816 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.946 7.895 4.179 1.00 0.00 H new ATOM 0 HE3 MET A 96 -3.911 6.737 3.311 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.758 13.829 0.811 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.268 14.846 -0.111 1.00 0.00 C ATOM 1498 C ALA A 97 -1.931 14.437 -0.720 1.00 0.00 C ATOM 1499 O ALA A 97 -1.115 13.786 -0.068 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.139 16.185 0.600 1.00 0.00 C ATOM 0 H ALA A 97 -3.078 13.531 1.511 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.991 14.945 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.772 16.935 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.114 16.490 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.439 16.090 1.430 1.00 0.00 H new ATOM 1506 N SER A 98 -1.715 14.821 -1.974 1.00 0.00 N ATOM 1507 CA SER A 98 -0.479 14.490 -2.673 1.00 0.00 C ATOM 1508 C SER A 98 0.726 14.655 -1.752 1.00 0.00 C ATOM 1509 O SER A 98 0.672 15.387 -0.765 1.00 0.00 O ATOM 1510 CB SER A 98 -0.315 15.375 -3.910 1.00 0.00 C ATOM 1511 OG SER A 98 -1.390 15.192 -4.814 1.00 0.00 O ATOM 0 H SER A 98 -2.380 15.362 -2.527 1.00 0.00 H new ATOM 0 HA SER A 98 -0.535 13.447 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.264 16.421 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.626 15.140 -4.407 1.00 0.00 H new ATOM 0 HG SER A 98 -1.263 15.770 -5.595 1.00 0.00 H new ATOM 1517 N GLY A 99 1.815 13.967 -2.083 1.00 0.00 N ATOM 1518 CA GLY A 99 3.019 14.050 -1.277 1.00 0.00 C ATOM 1519 C GLY A 99 2.761 13.738 0.184 1.00 0.00 C ATOM 1520 O GLY A 99 3.348 14.357 1.071 1.00 0.00 O ATOM 0 H GLY A 99 1.885 13.354 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.763 13.356 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.442 15.051 -1.362 1.00 0.00 H new ATOM 1524 N ALA A 100 1.878 12.776 0.435 1.00 0.00 N ATOM 1525 CA ALA A 100 1.544 12.383 1.798 1.00 0.00 C ATOM 1526 C ALA A 100 2.711 11.662 2.464 1.00 0.00 C ATOM 1527 O ALA A 100 3.738 11.409 1.834 1.00 0.00 O ATOM 1528 CB ALA A 100 0.304 11.502 1.805 1.00 0.00 C ATOM 0 H ALA A 100 1.382 12.255 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 100 1.337 13.288 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.067 11.216 2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.535 12.051 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.491 10.606 1.213 1.00 0.00 H new ATOM 1534 N VAL A 101 2.547 11.332 3.741 1.00 0.00 N ATOM 1535 CA VAL A 101 3.587 10.639 4.492 1.00 0.00 C ATOM 1536 C VAL A 101 2.988 9.576 5.406 1.00 0.00 C ATOM 1537 O VAL A 101 2.311 9.894 6.384 1.00 0.00 O ATOM 1538 CB VAL A 101 4.416 11.622 5.340 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.520 12.387 6.301 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.511 10.881 6.093 1.00 0.00 C ATOM 0 H VAL A 101 1.703 11.534 4.277 1.00 0.00 H new ATOM 0 HA VAL A 101 4.240 10.161 3.762 1.00 0.00 H new ATOM 0 HB VAL A 101 4.888 12.342 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.124 13.076 6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.776 12.949 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.017 11.685 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.088 11.590 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.061 10.137 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.170 10.384 5.381 1.00 0.00 H new ATOM 1550 N ILE A 102 3.244 8.313 5.082 1.00 0.00 N ATOM 1551 CA ILE A 102 2.732 7.203 5.875 1.00 0.00 C ATOM 1552 C ILE A 102 3.783 6.699 6.858 1.00 0.00 C ATOM 1553 O ILE A 102 4.777 6.090 6.462 1.00 0.00 O ATOM 1554 CB ILE A 102 2.279 6.033 4.981 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.266 6.520 3.942 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.684 4.918 5.827 1.00 0.00 C ATOM 1557 CD1 ILE A 102 -0.046 6.972 4.544 1.00 0.00 C ATOM 0 H ILE A 102 3.803 8.033 4.276 1.00 0.00 H new ATOM 0 HA ILE A 102 1.872 7.581 6.428 1.00 0.00 H new ATOM 0 HB ILE A 102 3.149 5.638 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.702 7.346 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.073 5.717 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.369 4.099 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.433 4.556 6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.823 5.298 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.715 7.304 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.504 6.142 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.135 7.796 5.234 1.00 0.00 H new ATOM 1569 N HIS A 103 3.555 6.954 8.142 1.00 0.00 N ATOM 1570 CA HIS A 103 4.482 6.524 9.184 1.00 0.00 C ATOM 1571 C HIS A 103 4.336 5.030 9.457 1.00 0.00 C ATOM 1572 O HIS A 103 3.254 4.554 9.801 1.00 0.00 O ATOM 1573 CB HIS A 103 4.240 7.315 10.469 1.00 0.00 C ATOM 1574 CG HIS A 103 4.262 8.800 10.272 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.319 9.466 9.689 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.348 9.748 10.584 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.055 10.760 9.652 1.00 0.00 C ATOM 1578 NE2 HIS A 103 3.864 10.957 10.188 1.00 0.00 N ATOM 0 H HIS A 103 2.737 7.456 8.487 1.00 0.00 H new ATOM 0 HA HIS A 103 5.497 6.715 8.835 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.276 7.027 10.887 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.000 7.043 11.202 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.391 9.584 11.057 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.703 11.526 9.252 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.402 11.861 10.291 1.00 0.00 H new ATOM 1587 N LEU A 104 5.432 4.296 9.300 1.00 0.00 N ATOM 1588 CA LEU A 104 5.427 2.855 9.529 1.00 0.00 C ATOM 1589 C LEU A 104 5.703 2.536 10.995 1.00 0.00 C ATOM 1590 O LEU A 104 6.513 3.197 11.643 1.00 0.00 O ATOM 1591 CB LEU A 104 6.471 2.174 8.642 1.00 0.00 C ATOM 1592 CG LEU A 104 6.486 0.646 8.676 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.276 0.084 7.947 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.774 0.112 8.066 1.00 0.00 C ATOM 0 H LEU A 104 6.335 4.675 9.015 1.00 0.00 H new ATOM 0 HA LEU A 104 4.438 2.475 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.308 2.493 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.457 2.534 8.935 1.00 0.00 H new ATOM 0 HG LEU A 104 6.439 0.324 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.304 -1.005 7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.364 0.439 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.291 0.414 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.768 -0.977 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.851 0.444 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.627 0.487 8.631 1.00 0.00 H new ATOM 1606 N ALA A 105 5.024 1.516 11.510 1.00 0.00 N ATOM 1607 CA ALA A 105 5.198 1.106 12.898 1.00 0.00 C ATOM 1608 C ALA A 105 5.025 -0.401 13.051 1.00 0.00 C ATOM 1609 O ALA A 105 4.109 -0.992 12.478 1.00 0.00 O ATOM 1610 CB ALA A 105 4.216 1.846 13.795 1.00 0.00 C ATOM 0 H ALA A 105 4.349 0.959 10.987 1.00 0.00 H new ATOM 0 HA ALA A 105 6.213 1.362 13.201 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.358 1.530 14.828 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.390 2.919 13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.196 1.620 13.483 1.00 0.00 H new ATOM 1616 N LEU A 106 5.909 -1.018 13.827 1.00 0.00 N ATOM 1617 CA LEU A 106 5.854 -2.458 14.056 1.00 0.00 C ATOM 1618 C LEU A 106 4.729 -2.813 15.023 1.00 0.00 C ATOM 1619 O LEU A 106 4.812 -2.533 16.219 1.00 0.00 O ATOM 1620 CB LEU A 106 7.191 -2.958 14.604 1.00 0.00 C ATOM 1621 CG LEU A 106 7.598 -4.373 14.191 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.996 -4.695 14.697 1.00 0.00 C ATOM 1623 CD2 LEU A 106 6.593 -5.391 14.711 1.00 0.00 C ATOM 0 H LEU A 106 6.673 -0.544 14.309 1.00 0.00 H new ATOM 0 HA LEU A 106 5.655 -2.946 13.102 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.973 -2.269 14.284 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.154 -2.915 15.693 1.00 0.00 H new ATOM 0 HG LEU A 106 7.607 -4.425 13.102 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.269 -5.706 14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.708 -3.985 14.276 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.014 -4.625 15.785 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.899 -6.392 14.407 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.552 -5.338 15.799 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.608 -5.172 14.300 1.00 0.00 H new ATOM 1635 N LYS A 107 3.678 -3.434 14.497 1.00 0.00 N ATOM 1636 CA LYS A 107 2.537 -3.832 15.313 1.00 0.00 C ATOM 1637 C LYS A 107 2.925 -4.940 16.287 1.00 0.00 C ATOM 1638 O LYS A 107 3.294 -6.039 15.875 1.00 0.00 O ATOM 1639 CB LYS A 107 1.386 -4.302 14.422 1.00 0.00 C ATOM 1640 CG LYS A 107 0.139 -4.693 15.195 1.00 0.00 C ATOM 1641 CD LYS A 107 -1.022 -5.000 14.264 1.00 0.00 C ATOM 1642 CE LYS A 107 -1.018 -6.458 13.829 1.00 0.00 C ATOM 1643 NZ LYS A 107 -1.792 -7.318 14.765 1.00 0.00 N ATOM 0 H LYS A 107 3.593 -3.672 13.509 1.00 0.00 H new ATOM 0 HA LYS A 107 2.213 -2.964 15.887 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.134 -3.508 13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.720 -5.155 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.352 -5.566 15.813 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.140 -3.884 15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.962 -4.772 14.766 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.965 -4.357 13.386 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.441 -6.539 12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.010 -6.817 13.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.709 -8.312 14.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.416 -7.208 15.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.793 -7.035 14.750 1.00 0.00 H new ATOM 1657 N GLU A 108 2.837 -4.643 17.580 1.00 0.00 N ATOM 1658 CA GLU A 108 3.179 -5.616 18.611 1.00 0.00 C ATOM 1659 C GLU A 108 1.921 -6.232 19.216 1.00 0.00 C ATOM 1660 O GLU A 108 1.322 -5.671 20.135 1.00 0.00 O ATOM 1661 CB GLU A 108 4.015 -4.956 19.709 1.00 0.00 C ATOM 1662 CG GLU A 108 5.437 -4.634 19.281 1.00 0.00 C ATOM 1663 CD GLU A 108 6.221 -5.871 18.886 1.00 0.00 C ATOM 1664 OE1 GLU A 108 6.245 -6.836 19.678 1.00 0.00 O ATOM 1665 OE2 GLU A 108 6.810 -5.874 17.785 1.00 0.00 O ATOM 0 H GLU A 108 2.532 -3.738 17.938 1.00 0.00 H new ATOM 0 HA GLU A 108 3.764 -6.409 18.146 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.523 -4.036 20.025 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.046 -5.616 20.576 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.411 -3.941 18.440 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.952 -4.127 20.097 1.00 0.00 H new ATOM 1672 N ARG A 109 1.525 -7.388 18.694 1.00 0.00 N ATOM 1673 CA ARG A 109 0.337 -8.080 19.180 1.00 0.00 C ATOM 1674 C ARG A 109 0.645 -8.855 20.458 1.00 0.00 C ATOM 1675 O ARG A 109 1.807 -9.075 20.798 1.00 0.00 O ATOM 1676 CB ARG A 109 -0.199 -9.032 18.110 1.00 0.00 C ATOM 1677 CG ARG A 109 0.787 -10.119 17.713 1.00 0.00 C ATOM 1678 CD ARG A 109 0.656 -11.343 18.606 1.00 0.00 C ATOM 1679 NE ARG A 109 1.913 -12.080 18.710 1.00 0.00 N ATOM 1680 CZ ARG A 109 2.301 -12.998 17.832 1.00 0.00 C ATOM 1681 NH1 ARG A 109 1.536 -13.288 16.789 1.00 0.00 N ATOM 1682 NH2 ARG A 109 3.459 -13.626 17.996 1.00 0.00 N ATOM 0 H ARG A 109 2.010 -7.866 17.934 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.423 -7.331 19.403 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.113 -9.499 18.476 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.468 -8.456 17.225 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.617 -10.405 16.675 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.803 -9.730 17.774 1.00 0.00 H new ATOM 0 HD2 ARG A 109 0.333 -11.034 19.600 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.118 -12.000 18.210 1.00 0.00 H new ATOM 0 HE ARG A 109 2.526 -11.879 19.500 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.647 -12.806 16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.837 -13.993 16.116 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.051 -13.404 18.796 1.00 0.00 H new ATOM 0 HH22 ARG A 109 3.757 -14.331 17.322 1.00 0.00 H new ATOM 1696 N SER A 110 -0.405 -9.266 21.162 1.00 0.00 N ATOM 1697 CA SER A 110 -0.247 -10.013 22.404 1.00 0.00 C ATOM 1698 C SER A 110 -0.387 -11.512 22.158 1.00 0.00 C ATOM 1699 O SER A 110 -1.427 -11.983 21.698 1.00 0.00 O ATOM 1700 CB SER A 110 -1.282 -9.555 23.434 1.00 0.00 C ATOM 1701 OG SER A 110 -0.985 -10.073 24.720 1.00 0.00 O ATOM 0 H SER A 110 -1.374 -9.094 20.893 1.00 0.00 H new ATOM 0 HA SER A 110 0.753 -9.818 22.792 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.304 -8.466 23.473 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.275 -9.883 23.127 1.00 0.00 H new ATOM 0 HG SER A 110 -1.660 -9.765 25.361 1.00 0.00 H new ATOM 1707 N GLY A 111 0.669 -12.258 22.469 1.00 0.00 N ATOM 1708 CA GLY A 111 0.645 -13.696 22.276 1.00 0.00 C ATOM 1709 C GLY A 111 2.035 -14.295 22.205 1.00 0.00 C ATOM 1710 O GLY A 111 2.931 -13.763 21.550 1.00 0.00 O ATOM 0 H GLY A 111 1.541 -11.892 22.851 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.094 -14.160 23.094 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.106 -13.927 21.357 1.00 0.00 H new ATOM 1714 N PRO A 112 2.231 -15.429 22.895 1.00 0.00 N ATOM 1715 CA PRO A 112 3.521 -16.124 22.925 1.00 0.00 C ATOM 1716 C PRO A 112 3.865 -16.765 21.585 1.00 0.00 C ATOM 1717 O PRO A 112 3.003 -16.919 20.720 1.00 0.00 O ATOM 1718 CB PRO A 112 3.319 -17.200 23.996 1.00 0.00 C ATOM 1719 CG PRO A 112 1.849 -17.441 24.018 1.00 0.00 C ATOM 1720 CD PRO A 112 1.208 -16.119 23.699 1.00 0.00 C ATOM 0 HA PRO A 112 4.346 -15.443 23.135 1.00 0.00 H new ATOM 0 HB2 PRO A 112 3.866 -18.110 23.751 1.00 0.00 H new ATOM 0 HB3 PRO A 112 3.680 -16.864 24.968 1.00 0.00 H new ATOM 0 HG2 PRO A 112 1.567 -18.198 23.287 1.00 0.00 H new ATOM 0 HG3 PRO A 112 1.528 -17.805 24.994 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.279 -16.247 23.143 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.965 -15.562 24.604 1.00 0.00 H new ATOM 1728 N SER A 113 5.130 -17.137 21.419 1.00 0.00 N ATOM 1729 CA SER A 113 5.589 -17.758 20.182 1.00 0.00 C ATOM 1730 C SER A 113 6.235 -19.112 20.462 1.00 0.00 C ATOM 1731 O SER A 113 7.459 -19.231 20.510 1.00 0.00 O ATOM 1732 CB SER A 113 6.585 -16.844 19.466 1.00 0.00 C ATOM 1733 OG SER A 113 7.739 -16.627 20.259 1.00 0.00 O ATOM 0 H SER A 113 5.856 -17.019 22.126 1.00 0.00 H new ATOM 0 HA SER A 113 4.723 -17.913 19.539 1.00 0.00 H new ATOM 0 HB2 SER A 113 6.873 -17.290 18.514 1.00 0.00 H new ATOM 0 HB3 SER A 113 6.110 -15.889 19.240 1.00 0.00 H new ATOM 0 HG SER A 113 8.147 -17.489 20.485 1.00 0.00 H new ATOM 1739 N SER A 114 5.401 -20.131 20.645 1.00 0.00 N ATOM 1740 CA SER A 114 5.889 -21.477 20.923 1.00 0.00 C ATOM 1741 C SER A 114 6.658 -22.034 19.729 1.00 0.00 C ATOM 1742 O SER A 114 6.538 -21.534 18.611 1.00 0.00 O ATOM 1743 CB SER A 114 4.722 -22.404 21.270 1.00 0.00 C ATOM 1744 OG SER A 114 5.129 -23.424 22.165 1.00 0.00 O ATOM 0 H SER A 114 4.385 -20.050 20.606 1.00 0.00 H new ATOM 0 HA SER A 114 6.566 -21.422 21.775 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.914 -21.825 21.717 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.326 -22.852 20.359 1.00 0.00 H new ATOM 0 HG SER A 114 4.365 -24.002 22.372 1.00 0.00 H new ATOM 1750 N GLY A 115 7.450 -23.073 19.976 1.00 0.00 N ATOM 1751 CA GLY A 115 8.229 -23.681 18.913 1.00 0.00 C ATOM 1752 C GLY A 115 9.608 -23.066 18.779 1.00 0.00 C ATOM 1753 O GLY A 115 10.590 -23.615 19.279 1.00 0.00 O ATOM 0 H GLY A 115 7.566 -23.504 20.893 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.328 -24.749 19.105 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.694 -23.575 17.969 1.00 0.00 H new TER 1757 GLY A 115