USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 731 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 115 SER OG : rot 61:sc= 1.14 USER MOD Set 1.2: A 117 SER OG : rot 76:sc= -0.176 USER MOD Set 1.3: A 125 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 4 ASN : amide:sc= -0.922 K(o=-0.92,f=-3.5!) USER MOD Set 2.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 ASN : amide:sc= -0.722 K(o=-0.72,f=-5.8!) USER MOD Set 3.2: A 18 TYR OH : rot 130:sc= 0 USER MOD Single : A 1 SER N :NH3+ 151:sc= -1.63 (180deg=-2.83!) USER MOD Single : A 1 SER OG : rot 180:sc=0.000514 USER MOD Single : A 3 LYS NZ :NH3+ -152:sc= -0.0511 (180deg=-0.558) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.13) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot -116:sc= -1.47 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 22:sc= 0.0618 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 20:sc= -0.0583 USER MOD Single : A 99 GLN : amide:sc= -0.069 X(o=-0.069,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 168:sc= 0.029 (180deg=0.0126) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.314 K(o=-0.31,f=-3.1!) USER MOD Single : A 118 MET CE :methyl 177:sc= -0.561 (180deg=-0.623) USER MOD Single : A 120 SER OG : rot -171:sc= -0.986 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot -149:sc= 0.048 USER MOD Single : A 133 GLN :FLIP amide:sc= 0.944 F(o=0,f=0.94) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.277 F(o=-3.9!,f=-0.28) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.08) USER MOD Single : A 148 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.3!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.268 14.408 -4.057 1.00 0.00 N ATOM 2 CA SER A 1 -3.143 12.945 -3.823 1.00 0.00 C ATOM 3 C SER A 1 -1.743 12.447 -4.169 1.00 0.00 C ATOM 4 O SER A 1 -1.480 12.045 -5.302 1.00 0.00 O ATOM 5 CB SER A 1 -4.187 12.223 -4.677 1.00 0.00 C ATOM 6 OG SER A 1 -5.501 12.618 -4.322 1.00 0.00 O ATOM 0 H1 SER A 1 -4.253 14.638 -4.297 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.992 14.922 -3.196 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.646 14.688 -4.842 1.00 0.00 H new ATOM 0 HA SER A 1 -3.312 12.737 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.012 12.439 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.082 11.145 -4.551 1.00 0.00 H new ATOM 0 HG SER A 1 -6.148 12.143 -4.884 1.00 0.00 H new ATOM 14 N ILE A 2 -0.852 12.475 -3.184 1.00 0.00 N ATOM 15 CA ILE A 2 0.519 12.024 -3.382 1.00 0.00 C ATOM 16 C ILE A 2 0.595 10.503 -3.386 1.00 0.00 C ATOM 17 O ILE A 2 1.387 9.911 -4.118 1.00 0.00 O ATOM 18 CB ILE A 2 1.459 12.564 -2.286 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.232 14.058 -2.065 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.908 12.294 -2.656 1.00 0.00 C ATOM 21 CD1 ILE A 2 1.713 14.543 -0.715 1.00 0.00 C ATOM 0 H ILE A 2 -1.055 12.805 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 2 0.841 12.412 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 2 1.234 12.046 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.745 14.616 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.168 14.275 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.561 12.680 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.063 11.220 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.141 12.788 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.522 15.612 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.181 14.010 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.783 14.356 -0.621 1.00 0.00 H new ATOM 33 N LYS A 3 -0.236 9.877 -2.560 1.00 0.00 N ATOM 34 CA LYS A 3 -0.264 8.423 -2.461 1.00 0.00 C ATOM 35 C LYS A 3 -1.599 7.942 -1.902 1.00 0.00 C ATOM 36 O LYS A 3 -2.247 8.646 -1.127 1.00 0.00 O ATOM 37 CB LYS A 3 0.883 7.930 -1.575 1.00 0.00 C ATOM 38 CG LYS A 3 1.612 6.718 -2.138 1.00 0.00 C ATOM 39 CD LYS A 3 1.990 5.733 -1.041 1.00 0.00 C ATOM 40 CE LYS A 3 3.424 5.250 -1.194 1.00 0.00 C ATOM 41 NZ LYS A 3 3.708 4.784 -2.579 1.00 0.00 N ATOM 0 H LYS A 3 -0.899 10.354 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.142 8.012 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.598 8.741 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.488 7.681 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.979 6.220 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.511 7.044 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.867 6.207 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.313 4.879 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.109 6.058 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.610 4.437 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.456 4.062 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.845 4.375 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.021 5.589 -3.159 1.00 0.00 H new ATOM 55 N ASN A 4 -2.006 6.742 -2.301 1.00 0.00 N ATOM 56 CA ASN A 4 -3.264 6.171 -1.838 1.00 0.00 C ATOM 57 C ASN A 4 -3.254 4.653 -1.973 1.00 0.00 C ATOM 58 O ASN A 4 -2.794 4.110 -2.978 1.00 0.00 O ATOM 59 CB ASN A 4 -4.436 6.758 -2.626 1.00 0.00 C ATOM 60 CG ASN A 4 -4.272 6.586 -4.123 1.00 0.00 C ATOM 61 OD1 ASN A 4 -3.279 6.026 -4.590 1.00 0.00 O ATOM 62 ND2 ASN A 4 -5.247 7.070 -4.885 1.00 0.00 N ATOM 0 H ASN A 4 -1.483 6.147 -2.943 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.383 6.423 -0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.361 6.277 -2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.531 7.819 -2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.191 6.985 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.051 7.526 -4.455 1.00 0.00 H new ATOM 69 N GLY A 5 -3.768 3.972 -0.954 1.00 0.00 N ATOM 70 CA GLY A 5 -3.809 2.522 -0.975 1.00 0.00 C ATOM 71 C GLY A 5 -4.641 1.949 0.155 1.00 0.00 C ATOM 72 O GLY A 5 -5.178 2.693 0.977 1.00 0.00 O ATOM 0 H GLY A 5 -4.157 4.399 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.217 2.187 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.793 2.132 -0.908 1.00 0.00 H new ATOM 76 N ILE A 6 -4.747 0.627 0.198 1.00 0.00 N ATOM 77 CA ILE A 6 -5.518 -0.044 1.237 1.00 0.00 C ATOM 78 C ILE A 6 -4.630 -0.436 2.413 1.00 0.00 C ATOM 79 O ILE A 6 -4.227 -1.592 2.544 1.00 0.00 O ATOM 80 CB ILE A 6 -6.219 -1.303 0.693 1.00 0.00 C ATOM 81 CG1 ILE A 6 -7.002 -0.970 -0.578 1.00 0.00 C ATOM 82 CG2 ILE A 6 -7.141 -1.897 1.749 1.00 0.00 C ATOM 83 CD1 ILE A 6 -6.140 -0.910 -1.820 1.00 0.00 C ATOM 0 H ILE A 6 -4.309 -0.002 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.274 0.664 1.577 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.458 -2.044 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.781 -1.719 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.502 -0.011 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.628 -2.786 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.559 -2.168 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.897 -1.163 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.761 -0.669 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.377 -0.141 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.660 -1.876 -1.977 1.00 0.00 H new ATOM 95 N LEU A 7 -4.328 0.535 3.269 1.00 0.00 N ATOM 96 CA LEU A 7 -3.488 0.293 4.435 1.00 0.00 C ATOM 97 C LEU A 7 -4.278 -0.409 5.536 1.00 0.00 C ATOM 98 O LEU A 7 -5.508 -0.433 5.511 1.00 0.00 O ATOM 99 CB LEU A 7 -2.911 1.611 4.957 1.00 0.00 C ATOM 100 CG LEU A 7 -1.450 1.874 4.580 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.526 0.936 5.341 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.251 1.716 3.079 1.00 0.00 C ATOM 0 H LEU A 7 -4.653 1.497 3.176 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.666 -0.357 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.521 2.432 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.998 1.623 6.043 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.202 2.899 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.508 1.137 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.649 1.094 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.774 -0.097 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.207 1.906 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.516 0.702 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.886 2.427 2.551 1.00 0.00 H new ATOM 114 N TYR A 8 -3.563 -0.981 6.499 1.00 0.00 N ATOM 115 CA TYR A 8 -4.198 -1.685 7.606 1.00 0.00 C ATOM 116 C TYR A 8 -4.241 -0.813 8.857 1.00 0.00 C ATOM 117 O TYR A 8 -3.305 -0.064 9.138 1.00 0.00 O ATOM 118 CB TYR A 8 -3.450 -2.987 7.903 1.00 0.00 C ATOM 119 CG TYR A 8 -3.606 -4.035 6.825 1.00 0.00 C ATOM 120 CD1 TYR A 8 -2.994 -3.881 5.586 1.00 0.00 C ATOM 121 CD2 TYR A 8 -4.364 -5.178 7.045 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.136 -4.837 4.598 1.00 0.00 C ATOM 123 CE2 TYR A 8 -4.510 -6.138 6.062 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.893 -5.963 4.841 1.00 0.00 C ATOM 125 OH TYR A 8 -4.035 -6.917 3.860 1.00 0.00 O ATOM 0 H TYR A 8 -2.544 -0.971 6.535 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.222 -1.918 7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.391 -2.766 8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.808 -3.394 8.848 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.399 -3.001 5.393 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.847 -5.319 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.656 -4.702 3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.104 -7.020 6.249 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.598 -7.647 4.193 1.00 0.00 H new ATOM 135 N LEU A 9 -5.336 -0.916 9.604 1.00 0.00 N ATOM 136 CA LEU A 9 -5.505 -0.139 10.826 1.00 0.00 C ATOM 137 C LEU A 9 -6.342 -0.908 11.845 1.00 0.00 C ATOM 138 O LEU A 9 -7.559 -1.027 11.699 1.00 0.00 O ATOM 139 CB LEU A 9 -6.164 1.207 10.511 1.00 0.00 C ATOM 140 CG LEU A 9 -5.489 2.423 11.150 1.00 0.00 C ATOM 141 CD1 LEU A 9 -6.124 3.709 10.646 1.00 0.00 C ATOM 142 CD2 LEU A 9 -5.574 2.343 12.666 1.00 0.00 C ATOM 0 H LEU A 9 -6.120 -1.531 9.384 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.520 0.041 11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.177 1.344 9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.202 1.172 10.840 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.437 2.424 10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.632 4.564 11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.012 3.770 9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.183 3.716 10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.089 3.215 13.104 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.620 2.318 12.971 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.074 1.438 13.011 1.00 0.00 H new ATOM 154 N GLU A 10 -5.682 -1.429 12.874 1.00 0.00 N ATOM 155 CA GLU A 10 -6.366 -2.188 13.914 1.00 0.00 C ATOM 156 C GLU A 10 -7.394 -1.326 14.637 1.00 0.00 C ATOM 157 O GLU A 10 -7.055 -0.299 15.226 1.00 0.00 O ATOM 158 CB GLU A 10 -5.359 -2.744 14.921 1.00 0.00 C ATOM 159 CG GLU A 10 -4.370 -1.706 15.431 1.00 0.00 C ATOM 160 CD GLU A 10 -4.588 -1.360 16.891 1.00 0.00 C ATOM 161 OE1 GLU A 10 -5.759 -1.328 17.325 1.00 0.00 O ATOM 162 OE2 GLU A 10 -3.588 -1.122 17.600 1.00 0.00 O ATOM 0 H GLU A 10 -4.675 -1.340 13.010 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.886 -3.016 13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.900 -3.165 15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.808 -3.562 14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.355 -2.081 15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.457 -0.801 14.830 1.00 0.00 H new ATOM 169 N ASP A 11 -8.652 -1.752 14.592 1.00 0.00 N ATOM 170 CA ASP A 11 -9.729 -1.022 15.248 1.00 0.00 C ATOM 171 C ASP A 11 -9.767 -1.351 16.740 1.00 0.00 C ATOM 172 O ASP A 11 -9.770 -2.522 17.121 1.00 0.00 O ATOM 173 CB ASP A 11 -11.072 -1.360 14.600 1.00 0.00 C ATOM 174 CG ASP A 11 -11.863 -0.121 14.226 1.00 0.00 C ATOM 175 OD1 ASP A 11 -12.195 0.666 15.137 1.00 0.00 O ATOM 176 OD2 ASP A 11 -12.148 0.061 13.026 1.00 0.00 O ATOM 0 H ASP A 11 -8.950 -2.599 14.108 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.542 0.046 15.132 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.900 -1.961 13.707 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.660 -1.969 15.286 1.00 0.00 H new ATOM 181 N PRO A 12 -9.791 -0.325 17.609 1.00 0.00 N ATOM 182 CA PRO A 12 -9.824 -0.526 19.061 1.00 0.00 C ATOM 183 C PRO A 12 -11.147 -1.118 19.544 1.00 0.00 C ATOM 184 O PRO A 12 -11.268 -1.517 20.703 1.00 0.00 O ATOM 185 CB PRO A 12 -9.632 0.883 19.623 1.00 0.00 C ATOM 186 CG PRO A 12 -10.115 1.790 18.546 1.00 0.00 C ATOM 187 CD PRO A 12 -9.785 1.106 17.249 1.00 0.00 C ATOM 0 HA PRO A 12 -9.064 -1.237 19.386 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.200 1.023 20.543 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.586 1.075 19.862 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.188 1.963 18.634 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.629 2.763 18.608 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.522 1.330 16.477 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.815 1.420 16.864 1.00 0.00 H new ATOM 195 N VAL A 13 -12.134 -1.178 18.654 1.00 0.00 N ATOM 196 CA VAL A 13 -13.437 -1.729 19.003 1.00 0.00 C ATOM 197 C VAL A 13 -13.319 -3.206 19.346 1.00 0.00 C ATOM 198 O VAL A 13 -13.955 -3.694 20.280 1.00 0.00 O ATOM 199 CB VAL A 13 -14.448 -1.554 17.853 1.00 0.00 C ATOM 200 CG1 VAL A 13 -15.837 -1.994 18.293 1.00 0.00 C ATOM 201 CG2 VAL A 13 -14.467 -0.113 17.369 1.00 0.00 C ATOM 0 H VAL A 13 -12.056 -0.853 17.690 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.798 -1.180 19.873 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.136 -2.186 17.022 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.538 -1.864 17.469 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.811 -3.044 18.584 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.158 -1.390 19.142 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.187 -0.011 16.557 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.752 0.543 18.191 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.475 0.164 17.011 1.00 0.00 H new ATOM 211 N ASN A 14 -12.497 -3.914 18.581 1.00 0.00 N ATOM 212 CA ASN A 14 -12.283 -5.339 18.797 1.00 0.00 C ATOM 213 C ASN A 14 -10.824 -5.726 18.554 1.00 0.00 C ATOM 214 O ASN A 14 -10.497 -6.908 18.458 1.00 0.00 O ATOM 215 CB ASN A 14 -13.197 -6.157 17.883 1.00 0.00 C ATOM 216 CG ASN A 14 -12.926 -5.900 16.414 1.00 0.00 C ATOM 217 OD1 ASN A 14 -11.942 -5.252 16.057 1.00 0.00 O ATOM 218 ND2 ASN A 14 -13.798 -6.413 15.553 1.00 0.00 N ATOM 0 H ASN A 14 -11.966 -3.523 17.803 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.524 -5.558 19.837 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.062 -7.218 18.094 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -14.237 -5.917 18.105 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.666 -6.276 14.551 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.600 -6.944 15.894 1.00 0.00 H new ATOM 225 N HIS A 15 -9.948 -4.725 18.456 1.00 0.00 N ATOM 226 CA HIS A 15 -8.527 -4.968 18.228 1.00 0.00 C ATOM 227 C HIS A 15 -8.314 -5.918 17.049 1.00 0.00 C ATOM 228 O HIS A 15 -8.070 -7.110 17.239 1.00 0.00 O ATOM 229 CB HIS A 15 -7.879 -5.546 19.487 1.00 0.00 C ATOM 230 CG HIS A 15 -7.077 -4.544 20.259 1.00 0.00 C ATOM 231 ND1 HIS A 15 -6.188 -4.896 21.253 1.00 0.00 N ATOM 232 CD2 HIS A 15 -7.032 -3.192 20.180 1.00 0.00 C ATOM 233 CE1 HIS A 15 -5.632 -3.806 21.751 1.00 0.00 C ATOM 234 NE2 HIS A 15 -6.127 -2.760 21.116 1.00 0.00 N ATOM 0 H HIS A 15 -10.200 -3.739 18.531 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.057 -4.014 17.989 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.657 -5.952 20.133 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.233 -6.377 19.205 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.602 -2.570 19.506 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.898 -3.776 22.543 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.877 -1.787 21.293 1.00 0.00 H new ATOM 243 N GLU A 16 -8.410 -5.385 15.835 1.00 0.00 N ATOM 244 CA GLU A 16 -8.226 -6.190 14.633 1.00 0.00 C ATOM 245 C GLU A 16 -7.969 -5.306 13.416 1.00 0.00 C ATOM 246 O GLU A 16 -8.669 -4.320 13.192 1.00 0.00 O ATOM 247 CB GLU A 16 -9.459 -7.068 14.392 1.00 0.00 C ATOM 248 CG GLU A 16 -9.220 -8.542 14.679 1.00 0.00 C ATOM 249 CD GLU A 16 -10.439 -9.397 14.390 1.00 0.00 C ATOM 250 OE1 GLU A 16 -11.290 -9.542 15.293 1.00 0.00 O ATOM 251 OE2 GLU A 16 -10.541 -9.922 13.262 1.00 0.00 O ATOM 0 H GLU A 16 -8.614 -4.401 15.658 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.355 -6.828 14.782 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.277 -6.712 15.019 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.779 -6.955 13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.382 -8.895 14.077 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.935 -8.663 15.724 1.00 0.00 H new ATOM 258 N TRP A 17 -6.959 -5.671 12.633 1.00 0.00 N ATOM 259 CA TRP A 17 -6.605 -4.914 11.436 1.00 0.00 C ATOM 260 C TRP A 17 -7.695 -5.033 10.376 1.00 0.00 C ATOM 261 O TRP A 17 -8.232 -6.116 10.144 1.00 0.00 O ATOM 262 CB TRP A 17 -5.271 -5.406 10.872 1.00 0.00 C ATOM 263 CG TRP A 17 -4.208 -5.570 11.915 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.854 -6.727 12.549 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.364 -4.544 12.449 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.840 -6.483 13.443 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.522 -5.151 13.401 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.237 -3.172 12.214 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.567 -4.431 14.116 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.290 -2.459 12.925 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.466 -3.089 13.866 1.00 0.00 C ATOM 0 H TRP A 17 -6.371 -6.486 12.805 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.508 -3.865 11.715 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.427 -6.361 10.370 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.923 -4.702 10.116 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.305 -7.692 12.373 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.396 -7.180 14.041 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.868 -2.678 11.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.929 -4.914 14.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.184 -1.398 12.752 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.736 -2.504 14.405 1.00 0.00 H new ATOM 282 N TYR A 18 -8.016 -3.913 9.735 1.00 0.00 N ATOM 283 CA TYR A 18 -9.041 -3.894 8.699 1.00 0.00 C ATOM 284 C TYR A 18 -8.595 -3.048 7.507 1.00 0.00 C ATOM 285 O TYR A 18 -8.118 -1.926 7.679 1.00 0.00 O ATOM 286 CB TYR A 18 -10.354 -3.347 9.262 1.00 0.00 C ATOM 287 CG TYR A 18 -11.128 -4.354 10.085 1.00 0.00 C ATOM 288 CD1 TYR A 18 -11.731 -5.452 9.485 1.00 0.00 C ATOM 289 CD2 TYR A 18 -11.253 -4.204 11.460 1.00 0.00 C ATOM 290 CE1 TYR A 18 -12.438 -6.373 10.233 1.00 0.00 C ATOM 291 CE2 TYR A 18 -11.959 -5.123 12.215 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.549 -6.205 11.597 1.00 0.00 C ATOM 293 OH TYR A 18 -13.252 -7.120 12.344 1.00 0.00 O ATOM 0 H TYR A 18 -7.581 -3.008 9.915 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.197 -4.918 8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -10.139 -2.475 9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.980 -3.007 8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.646 -5.588 8.417 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.792 -3.357 11.947 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.902 -7.221 9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.048 -4.994 13.284 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.708 -7.405 13.108 1.00 0.00 H new ATOM 303 N PRO A 19 -8.743 -3.573 6.276 1.00 0.00 N ATOM 304 CA PRO A 19 -8.349 -2.851 5.060 1.00 0.00 C ATOM 305 C PRO A 19 -8.994 -1.472 4.973 1.00 0.00 C ATOM 306 O PRO A 19 -10.213 -1.337 5.082 1.00 0.00 O ATOM 307 CB PRO A 19 -8.857 -3.748 3.928 1.00 0.00 C ATOM 308 CG PRO A 19 -8.938 -5.110 4.529 1.00 0.00 C ATOM 309 CD PRO A 19 -9.302 -4.903 5.971 1.00 0.00 C ATOM 0 HA PRO A 19 -7.275 -2.669 5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.831 -3.416 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.178 -3.732 3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.687 -5.717 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.987 -5.634 4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.381 -4.929 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.873 -5.675 6.609 1.00 0.00 H new ATOM 317 N HIS A 20 -8.168 -0.450 4.774 1.00 0.00 N ATOM 318 CA HIS A 20 -8.658 0.920 4.671 1.00 0.00 C ATOM 319 C HIS A 20 -7.990 1.650 3.511 1.00 0.00 C ATOM 320 O HIS A 20 -6.765 1.764 3.459 1.00 0.00 O ATOM 321 CB HIS A 20 -8.410 1.673 5.980 1.00 0.00 C ATOM 322 CG HIS A 20 -9.649 1.876 6.796 1.00 0.00 C ATOM 323 ND1 HIS A 20 -10.316 0.844 7.421 1.00 0.00 N ATOM 324 CD2 HIS A 20 -10.342 3.003 7.088 1.00 0.00 C ATOM 325 CE1 HIS A 20 -11.367 1.326 8.061 1.00 0.00 C ATOM 326 NE2 HIS A 20 -11.405 2.633 7.875 1.00 0.00 N ATOM 0 H HIS A 20 -7.157 -0.544 4.681 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.731 0.884 4.482 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.680 1.123 6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.970 2.644 5.754 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.103 4.005 6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.075 0.749 8.638 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -12.110 3.265 8.254 1.00 0.00 H new ATOM 335 N TYR A 21 -8.803 2.144 2.582 1.00 0.00 N ATOM 336 CA TYR A 21 -8.290 2.864 1.422 1.00 0.00 C ATOM 337 C TYR A 21 -7.954 4.309 1.782 1.00 0.00 C ATOM 338 O TYR A 21 -8.771 5.211 1.595 1.00 0.00 O ATOM 339 CB TYR A 21 -9.313 2.834 0.285 1.00 0.00 C ATOM 340 CG TYR A 21 -8.752 3.289 -1.045 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.614 2.698 -1.580 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.361 4.309 -1.765 1.00 0.00 C ATOM 343 CE1 TYR A 21 -7.100 3.110 -2.793 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.852 4.728 -2.980 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.721 4.125 -3.490 1.00 0.00 C ATOM 346 OH TYR A 21 -7.212 4.539 -4.698 1.00 0.00 O ATOM 0 H TYR A 21 -9.819 2.059 2.610 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.376 2.369 1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.698 1.820 0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.158 3.470 0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.123 1.903 -1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.247 4.783 -1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.215 2.639 -3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.337 5.523 -3.527 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.768 5.261 -5.057 1.00 0.00 H new ATOM 356 N PHE A 22 -6.748 4.518 2.298 1.00 0.00 N ATOM 357 CA PHE A 22 -6.302 5.852 2.682 1.00 0.00 C ATOM 358 C PHE A 22 -5.849 6.646 1.461 1.00 0.00 C ATOM 359 O PHE A 22 -5.497 6.070 0.432 1.00 0.00 O ATOM 360 CB PHE A 22 -5.161 5.756 3.697 1.00 0.00 C ATOM 361 CG PHE A 22 -5.621 5.797 5.127 1.00 0.00 C ATOM 362 CD1 PHE A 22 -6.564 4.894 5.590 1.00 0.00 C ATOM 363 CD2 PHE A 22 -5.110 6.737 6.006 1.00 0.00 C ATOM 364 CE1 PHE A 22 -6.988 4.928 6.905 1.00 0.00 C ATOM 365 CE2 PHE A 22 -5.531 6.777 7.322 1.00 0.00 C ATOM 366 CZ PHE A 22 -6.471 5.871 7.772 1.00 0.00 C ATOM 0 H PHE A 22 -6.062 3.781 2.460 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.143 6.374 3.139 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.612 4.830 3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.463 6.576 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.972 4.155 4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.374 7.447 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.723 4.218 7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.125 7.516 7.997 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.801 5.900 8.800 1.00 0.00 H new ATOM 376 N VAL A 23 -5.863 7.971 1.579 1.00 0.00 N ATOM 377 CA VAL A 23 -5.455 8.838 0.480 1.00 0.00 C ATOM 378 C VAL A 23 -4.703 10.064 0.988 1.00 0.00 C ATOM 379 O VAL A 23 -5.305 10.998 1.517 1.00 0.00 O ATOM 380 CB VAL A 23 -6.669 9.303 -0.348 1.00 0.00 C ATOM 381 CG1 VAL A 23 -6.214 10.040 -1.597 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.552 8.119 -0.711 1.00 0.00 C ATOM 0 H VAL A 23 -6.152 8.466 2.423 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.792 8.249 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.256 9.993 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.085 10.360 -2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.627 10.913 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.603 9.376 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.404 8.466 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.977 7.403 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.909 7.638 0.200 1.00 0.00 H new ATOM 392 N LEU A 24 -3.385 10.054 0.820 1.00 0.00 N ATOM 393 CA LEU A 24 -2.549 11.167 1.257 1.00 0.00 C ATOM 394 C LEU A 24 -2.468 12.239 0.174 1.00 0.00 C ATOM 395 O LEU A 24 -1.971 11.987 -0.924 1.00 0.00 O ATOM 396 CB LEU A 24 -1.145 10.671 1.607 1.00 0.00 C ATOM 397 CG LEU A 24 -0.245 11.701 2.292 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.684 11.918 3.731 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.209 11.260 2.237 1.00 0.00 C ATOM 0 H LEU A 24 -2.872 9.287 0.384 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.002 11.605 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.235 9.801 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.656 10.336 0.692 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.336 12.647 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.033 12.654 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.712 12.280 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.622 10.976 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.834 12.005 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.318 10.302 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.519 11.156 1.197 1.00 0.00 H new ATOM 411 N THR A 25 -2.964 13.433 0.490 1.00 0.00 N ATOM 412 CA THR A 25 -2.955 14.542 -0.457 1.00 0.00 C ATOM 413 C THR A 25 -1.800 15.500 -0.178 1.00 0.00 C ATOM 414 O THR A 25 -1.269 15.547 0.933 1.00 0.00 O ATOM 415 CB THR A 25 -4.284 15.297 -0.400 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.868 15.188 0.885 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.297 14.803 -1.411 1.00 0.00 C ATOM 0 H THR A 25 -3.377 13.656 1.396 1.00 0.00 H new ATOM 0 HA THR A 25 -2.819 14.127 -1.456 1.00 0.00 H new ATOM 0 HB THR A 25 -4.038 16.333 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.719 14.706 0.818 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.216 15.381 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.895 14.922 -2.417 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.510 13.750 -1.228 1.00 0.00 H new ATOM 425 N SER A 26 -1.418 16.261 -1.201 1.00 0.00 N ATOM 426 CA SER A 26 -0.324 17.225 -1.094 1.00 0.00 C ATOM 427 C SER A 26 -0.409 18.040 0.195 1.00 0.00 C ATOM 428 O SER A 26 0.614 18.420 0.766 1.00 0.00 O ATOM 429 CB SER A 26 -0.331 18.165 -2.300 1.00 0.00 C ATOM 430 OG SER A 26 0.908 18.842 -2.428 1.00 0.00 O ATOM 0 H SER A 26 -1.855 16.228 -2.122 1.00 0.00 H new ATOM 0 HA SER A 26 0.609 16.661 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.533 17.596 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.136 18.892 -2.194 1.00 0.00 H new ATOM 0 HG SER A 26 0.878 19.435 -3.207 1.00 0.00 H new ATOM 436 N SER A 27 -1.628 18.314 0.648 1.00 0.00 N ATOM 437 CA SER A 27 -1.825 19.089 1.866 1.00 0.00 C ATOM 438 C SER A 27 -3.031 18.589 2.655 1.00 0.00 C ATOM 439 O SER A 27 -3.858 19.379 3.110 1.00 0.00 O ATOM 440 CB SER A 27 -2.003 20.570 1.524 1.00 0.00 C ATOM 441 OG SER A 27 -0.749 21.213 1.371 1.00 0.00 O ATOM 0 H SER A 27 -2.489 18.013 0.192 1.00 0.00 H new ATOM 0 HA SER A 27 -0.939 18.965 2.489 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.580 20.667 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.574 21.062 2.311 1.00 0.00 H new ATOM 0 HG SER A 27 -0.060 20.544 1.177 1.00 0.00 H new ATOM 447 N LYS A 28 -3.127 17.272 2.820 1.00 0.00 N ATOM 448 CA LYS A 28 -4.236 16.678 3.561 1.00 0.00 C ATOM 449 C LYS A 28 -4.126 15.158 3.592 1.00 0.00 C ATOM 450 O LYS A 28 -3.329 14.567 2.866 1.00 0.00 O ATOM 451 CB LYS A 28 -5.573 17.095 2.942 1.00 0.00 C ATOM 452 CG LYS A 28 -6.409 17.986 3.847 1.00 0.00 C ATOM 453 CD LYS A 28 -7.045 19.130 3.072 1.00 0.00 C ATOM 454 CE LYS A 28 -8.131 19.816 3.883 1.00 0.00 C ATOM 455 NZ LYS A 28 -8.128 21.292 3.681 1.00 0.00 N ATOM 0 H LYS A 28 -2.454 16.599 2.453 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.188 17.044 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.383 17.619 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.145 16.200 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.188 17.392 4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.782 18.389 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.279 19.856 2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.469 18.750 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.104 19.413 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.989 19.594 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.884 21.722 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.209 21.681 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.289 21.505 2.676 1.00 0.00 H new ATOM 469 N ILE A 29 -4.935 14.533 4.442 1.00 0.00 N ATOM 470 CA ILE A 29 -4.939 13.080 4.575 1.00 0.00 C ATOM 471 C ILE A 29 -6.362 12.553 4.720 1.00 0.00 C ATOM 472 O ILE A 29 -6.986 12.707 5.771 1.00 0.00 O ATOM 473 CB ILE A 29 -4.106 12.614 5.786 1.00 0.00 C ATOM 474 CG1 ILE A 29 -2.903 13.539 5.998 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.651 11.175 5.588 1.00 0.00 C ATOM 476 CD1 ILE A 29 -1.951 13.063 7.076 1.00 0.00 C ATOM 0 H ILE A 29 -5.598 15.012 5.051 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.489 12.680 3.666 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.730 12.659 6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.357 13.632 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.263 14.535 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.064 10.857 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.523 10.529 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.040 11.107 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.125 13.768 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.481 12.997 8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.561 12.081 6.809 1.00 0.00 H new ATOM 488 N TYR A 30 -6.873 11.936 3.660 1.00 0.00 N ATOM 489 CA TYR A 30 -8.226 11.392 3.673 1.00 0.00 C ATOM 490 C TYR A 30 -8.212 9.901 3.990 1.00 0.00 C ATOM 491 O TYR A 30 -7.354 9.161 3.509 1.00 0.00 O ATOM 492 CB TYR A 30 -8.908 11.634 2.325 1.00 0.00 C ATOM 493 CG TYR A 30 -9.067 13.098 1.981 1.00 0.00 C ATOM 494 CD1 TYR A 30 -7.968 13.869 1.621 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.314 13.709 2.016 1.00 0.00 C ATOM 496 CE1 TYR A 30 -8.109 15.209 1.308 1.00 0.00 C ATOM 497 CE2 TYR A 30 -10.462 15.047 1.703 1.00 0.00 C ATOM 498 CZ TYR A 30 -9.357 15.792 1.350 1.00 0.00 C ATOM 499 OH TYR A 30 -9.501 17.123 1.038 1.00 0.00 O ATOM 0 H TYR A 30 -6.372 11.800 2.782 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.788 11.904 4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.328 11.146 1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.891 11.163 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.989 13.415 1.585 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.182 13.129 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.245 15.796 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.439 15.507 1.735 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.444 17.377 1.115 1.00 0.00 H new ATOM 509 N TYR A 31 -9.170 9.467 4.802 1.00 0.00 N ATOM 510 CA TYR A 31 -9.273 8.064 5.185 1.00 0.00 C ATOM 511 C TYR A 31 -10.731 7.617 5.220 1.00 0.00 C ATOM 512 O TYR A 31 -11.510 8.069 6.058 1.00 0.00 O ATOM 513 CB TYR A 31 -8.623 7.837 6.552 1.00 0.00 C ATOM 514 CG TYR A 31 -9.099 8.798 7.618 1.00 0.00 C ATOM 515 CD1 TYR A 31 -8.618 10.099 7.671 1.00 0.00 C ATOM 516 CD2 TYR A 31 -10.028 8.401 8.572 1.00 0.00 C ATOM 517 CE1 TYR A 31 -9.049 10.980 8.643 1.00 0.00 C ATOM 518 CE2 TYR A 31 -10.464 9.277 9.549 1.00 0.00 C ATOM 519 CZ TYR A 31 -9.972 10.565 9.580 1.00 0.00 C ATOM 520 OH TYR A 31 -10.404 11.440 10.550 1.00 0.00 O ATOM 0 H TYR A 31 -9.887 10.068 5.208 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.747 7.469 4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.828 6.817 6.877 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.542 7.928 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.894 10.428 6.940 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.415 7.393 8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.665 11.989 8.669 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.186 8.954 10.284 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.054 10.991 11.130 1.00 0.00 H new ATOM 530 N SER A 32 -11.092 6.725 4.303 1.00 0.00 N ATOM 531 CA SER A 32 -12.457 6.217 4.228 1.00 0.00 C ATOM 532 C SER A 32 -12.475 4.694 4.318 1.00 0.00 C ATOM 533 O SER A 32 -11.520 4.027 3.921 1.00 0.00 O ATOM 534 CB SER A 32 -13.121 6.670 2.926 1.00 0.00 C ATOM 535 OG SER A 32 -12.949 8.061 2.722 1.00 0.00 O ATOM 0 H SER A 32 -10.459 6.339 3.602 1.00 0.00 H new ATOM 0 HA SER A 32 -13.016 6.620 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.694 6.121 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.184 6.432 2.955 1.00 0.00 H new ATOM 0 HG SER A 32 -13.381 8.324 1.883 1.00 0.00 H new ATOM 1396 N GLY A 91 -12.986 10.759 6.239 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.288 11.505 7.268 1.00 0.00 C ATOM 1398 C GLY A 91 -11.159 12.350 6.711 1.00 0.00 C ATOM 1399 O GLY A 91 -10.168 11.820 6.207 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.997 12.149 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.887 10.811 8.006 1.00 0.00 H new ATOM 1403 N VAL A 92 -11.308 13.669 6.803 1.00 0.00 N ATOM 1404 CA VAL A 92 -10.295 14.591 6.308 1.00 0.00 C ATOM 1405 C VAL A 92 -9.360 15.032 7.431 1.00 0.00 C ATOM 1406 O VAL A 92 -9.809 15.389 8.521 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.938 15.835 5.662 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -11.750 16.612 6.687 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -9.874 16.721 5.029 1.00 0.00 C ATOM 0 H VAL A 92 -12.123 14.122 7.217 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.719 14.058 5.551 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.615 15.502 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.195 17.486 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.539 15.974 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.098 16.934 7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.348 17.593 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.169 17.046 5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.343 16.159 4.261 1.00 0.00 H new ATOM 1419 N LEU A 93 -8.059 15.001 7.160 1.00 0.00 N ATOM 1420 CA LEU A 93 -7.065 15.397 8.153 1.00 0.00 C ATOM 1421 C LEU A 93 -6.037 16.348 7.550 1.00 0.00 C ATOM 1422 O LEU A 93 -5.768 16.311 6.349 1.00 0.00 O ATOM 1423 CB LEU A 93 -6.364 14.163 8.722 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.730 14.358 10.102 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.691 13.922 11.198 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.421 13.589 10.203 1.00 0.00 C ATOM 0 H LEU A 93 -7.669 14.707 6.265 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.582 15.918 8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.086 13.349 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.588 13.850 8.023 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.516 15.419 10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.223 14.068 12.172 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.602 14.517 11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.937 12.868 11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.986 13.740 11.191 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.610 12.527 10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.728 13.949 9.442 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.461 17.197 8.395 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.458 18.160 7.955 1.00 0.00 C ATOM 1440 C ASP A 94 -3.058 17.559 8.039 1.00 0.00 C ATOM 1441 O ASP A 94 -2.656 17.043 9.082 1.00 0.00 O ATOM 1442 CB ASP A 94 -4.539 19.429 8.805 1.00 0.00 C ATOM 1443 CG ASP A 94 -4.386 19.141 10.286 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -3.256 18.830 10.717 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -5.397 19.229 11.015 1.00 0.00 O ATOM 0 H ASP A 94 -5.673 17.237 9.392 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.660 18.416 6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.761 20.125 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.496 19.920 8.630 1.00 0.00 H new ATOM 1450 N VAL A 95 -2.322 17.617 6.932 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.971 17.067 6.883 1.00 0.00 C ATOM 1452 C VAL A 95 0.041 17.914 7.666 1.00 0.00 C ATOM 1453 O VAL A 95 0.986 17.368 8.235 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.476 16.885 5.429 1.00 0.00 C ATOM 1455 CG1 VAL A 95 -0.236 18.225 4.748 1.00 0.00 C ATOM 1456 CG2 VAL A 95 0.788 16.038 5.403 1.00 0.00 C ATOM 0 H VAL A 95 -2.638 18.039 6.059 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.036 16.089 7.361 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.258 16.368 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.111 18.058 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.166 18.794 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.519 18.784 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.125 15.918 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.568 16.530 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.578 15.058 5.832 1.00 0.00 H new ATOM 1466 N PRO A 96 -0.122 19.254 7.713 1.00 0.00 N ATOM 1467 CA PRO A 96 0.806 20.133 8.435 1.00 0.00 C ATOM 1468 C PRO A 96 0.633 20.049 9.951 1.00 0.00 C ATOM 1469 O PRO A 96 0.424 21.063 10.618 1.00 0.00 O ATOM 1470 CB PRO A 96 0.450 21.544 7.932 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.525 21.346 6.816 1.00 0.00 C ATOM 1472 CD PRO A 96 -1.193 20.030 7.077 1.00 0.00 C ATOM 0 HA PRO A 96 1.843 19.854 8.251 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.014 22.145 8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.339 22.071 7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.255 22.155 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.018 21.341 5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.060 20.137 7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.542 19.562 6.157 1.00 0.00 H new ATOM 1480 N ALA A 97 0.727 18.836 10.493 1.00 0.00 N ATOM 1481 CA ALA A 97 0.585 18.621 11.932 1.00 0.00 C ATOM 1482 C ALA A 97 0.490 17.132 12.256 1.00 0.00 C ATOM 1483 O ALA A 97 -0.548 16.651 12.711 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.637 19.356 12.468 1.00 0.00 C ATOM 0 H ALA A 97 0.901 17.986 9.957 1.00 0.00 H new ATOM 0 HA ALA A 97 1.474 19.022 12.419 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.724 19.183 13.541 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.530 20.424 12.280 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.532 18.987 11.967 1.00 0.00 H new ATOM 1490 N CYS A 98 1.577 16.408 12.018 1.00 0.00 N ATOM 1491 CA CYS A 98 1.611 14.975 12.284 1.00 0.00 C ATOM 1492 C CYS A 98 2.975 14.547 12.817 1.00 0.00 C ATOM 1493 O CYS A 98 3.967 15.261 12.661 1.00 0.00 O ATOM 1494 CB CYS A 98 1.280 14.191 11.014 1.00 0.00 C ATOM 1495 SG CYS A 98 2.482 14.404 9.679 1.00 0.00 S ATOM 0 H CYS A 98 2.445 16.789 11.642 1.00 0.00 H new ATOM 0 HA CYS A 98 0.861 14.758 13.045 1.00 0.00 H new ATOM 0 HB2 CYS A 98 1.212 13.132 11.261 1.00 0.00 H new ATOM 0 HB3 CYS A 98 0.297 14.498 10.656 1.00 0.00 H new ATOM 0 HG CYS A 98 3.607 14.829 10.172 1.00 0.00 H new ATOM 1501 N GLN A 99 3.016 13.377 13.446 1.00 0.00 N ATOM 1502 CA GLN A 99 4.253 12.846 14.002 1.00 0.00 C ATOM 1503 C GLN A 99 4.254 11.322 13.952 1.00 0.00 C ATOM 1504 O GLN A 99 3.558 10.665 14.725 1.00 0.00 O ATOM 1505 CB GLN A 99 4.434 13.324 15.445 1.00 0.00 C ATOM 1506 CG GLN A 99 5.863 13.717 15.781 1.00 0.00 C ATOM 1507 CD GLN A 99 6.535 12.732 16.717 1.00 0.00 C ATOM 1508 OE1 GLN A 99 6.419 12.840 17.939 1.00 0.00 O ATOM 1509 NE2 GLN A 99 7.245 11.764 16.149 1.00 0.00 N ATOM 0 H GLN A 99 2.203 12.777 13.583 1.00 0.00 H new ATOM 0 HA GLN A 99 5.085 13.213 13.401 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.780 14.178 15.621 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.114 12.533 16.124 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.442 13.790 14.860 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.866 14.706 16.238 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.315 11.712 15.133 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.721 11.073 16.729 1.00 0.00 H new ATOM 1518 N ILE A 100 5.034 10.765 13.031 1.00 0.00 N ATOM 1519 CA ILE A 100 5.120 9.318 12.875 1.00 0.00 C ATOM 1520 C ILE A 100 6.009 8.697 13.946 1.00 0.00 C ATOM 1521 O ILE A 100 6.788 9.391 14.602 1.00 0.00 O ATOM 1522 CB ILE A 100 5.665 8.923 11.486 1.00 0.00 C ATOM 1523 CG1 ILE A 100 5.155 9.884 10.406 1.00 0.00 C ATOM 1524 CG2 ILE A 100 5.275 7.492 11.152 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.648 10.013 10.374 1.00 0.00 C ATOM 0 H ILE A 100 5.616 11.294 12.381 1.00 0.00 H new ATOM 0 HA ILE A 100 4.104 8.937 12.979 1.00 0.00 H new ATOM 0 HB ILE A 100 6.753 8.990 11.514 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.592 10.869 10.571 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.503 9.540 9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.666 7.228 10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.690 6.818 11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.189 7.403 11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.359 10.709 9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.203 9.037 10.178 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.294 10.386 11.335 1.00 0.00 H new ATOM 1537 N ALA A 101 5.890 7.385 14.116 1.00 0.00 N ATOM 1538 CA ALA A 101 6.681 6.662 15.104 1.00 0.00 C ATOM 1539 C ALA A 101 6.732 5.174 14.774 1.00 0.00 C ATOM 1540 O ALA A 101 5.905 4.395 15.251 1.00 0.00 O ATOM 1541 CB ALA A 101 6.112 6.877 16.497 1.00 0.00 C ATOM 0 H ALA A 101 5.250 6.799 13.580 1.00 0.00 H new ATOM 0 HA ALA A 101 7.699 7.052 15.078 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.713 6.331 17.224 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.129 7.940 16.737 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.085 6.514 16.530 1.00 0.00 H new ATOM 1547 N ILE A 102 7.703 4.784 13.953 1.00 0.00 N ATOM 1548 CA ILE A 102 7.853 3.388 13.558 1.00 0.00 C ATOM 1549 C ILE A 102 8.004 2.482 14.774 1.00 0.00 C ATOM 1550 O ILE A 102 8.444 2.915 15.840 1.00 0.00 O ATOM 1551 CB ILE A 102 9.069 3.188 12.629 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.916 4.035 11.366 1.00 0.00 C ATOM 1553 CG2 ILE A 102 9.232 1.714 12.269 1.00 0.00 C ATOM 1554 CD1 ILE A 102 10.157 4.061 10.501 1.00 0.00 C ATOM 0 H ILE A 102 8.396 5.414 13.549 1.00 0.00 H new ATOM 0 HA ILE A 102 6.945 3.118 13.018 1.00 0.00 H new ATOM 0 HB ILE A 102 9.966 3.512 13.157 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.082 3.650 10.779 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.661 5.055 11.652 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.094 1.593 11.613 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.383 1.132 13.178 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.336 1.363 11.758 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.976 4.681 9.623 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.989 4.474 11.071 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.402 3.047 10.185 1.00 0.00 H new ATOM 1566 N ARG A 103 7.640 1.218 14.597 1.00 0.00 N ATOM 1567 CA ARG A 103 7.734 0.234 15.664 1.00 0.00 C ATOM 1568 C ARG A 103 8.017 -1.148 15.082 1.00 0.00 C ATOM 1569 O ARG A 103 7.214 -1.676 14.311 1.00 0.00 O ATOM 1570 CB ARG A 103 6.439 0.204 16.478 1.00 0.00 C ATOM 1571 CG ARG A 103 6.455 1.136 17.679 1.00 0.00 C ATOM 1572 CD ARG A 103 5.085 1.226 18.334 1.00 0.00 C ATOM 1573 NE ARG A 103 5.179 1.278 19.791 1.00 0.00 N ATOM 1574 CZ ARG A 103 5.706 2.301 20.463 1.00 0.00 C ATOM 1575 NH1 ARG A 103 6.186 3.354 19.816 1.00 0.00 N ATOM 1576 NH2 ARG A 103 5.751 2.268 21.788 1.00 0.00 N ATOM 0 H ARG A 103 7.275 0.850 13.718 1.00 0.00 H new ATOM 0 HA ARG A 103 8.555 0.515 16.323 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.606 0.474 15.830 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.259 -0.815 16.821 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.185 0.781 18.407 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.775 2.130 17.365 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.567 2.114 17.972 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.485 0.365 18.040 1.00 0.00 H new ATOM 0 HE ARG A 103 4.821 0.486 20.324 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.153 3.385 18.797 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.588 4.133 20.337 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.383 1.461 22.291 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.154 3.050 22.304 1.00 0.00 H new ATOM 1590 N PRO A 104 9.163 -1.758 15.433 1.00 0.00 N ATOM 1591 CA PRO A 104 9.536 -3.079 14.926 1.00 0.00 C ATOM 1592 C PRO A 104 8.862 -4.219 15.691 1.00 0.00 C ATOM 1593 O PRO A 104 9.444 -5.290 15.863 1.00 0.00 O ATOM 1594 CB PRO A 104 11.046 -3.110 15.149 1.00 0.00 C ATOM 1595 CG PRO A 104 11.259 -2.271 16.364 1.00 0.00 C ATOM 1596 CD PRO A 104 10.190 -1.207 16.340 1.00 0.00 C ATOM 0 HA PRO A 104 9.230 -3.222 13.890 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.404 -4.128 15.301 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.583 -2.708 14.290 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.187 -2.874 17.269 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.253 -1.823 16.357 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.787 -1.023 17.336 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.579 -0.257 15.973 1.00 0.00 H new ATOM 1604 N GLU A 105 7.633 -3.983 16.144 1.00 0.00 N ATOM 1605 CA GLU A 105 6.880 -4.986 16.889 1.00 0.00 C ATOM 1606 C GLU A 105 5.519 -4.431 17.304 1.00 0.00 C ATOM 1607 O GLU A 105 5.268 -4.190 18.485 1.00 0.00 O ATOM 1608 CB GLU A 105 7.664 -5.436 18.126 1.00 0.00 C ATOM 1609 CG GLU A 105 7.502 -6.913 18.445 1.00 0.00 C ATOM 1610 CD GLU A 105 7.071 -7.158 19.877 1.00 0.00 C ATOM 1611 OE1 GLU A 105 5.998 -6.651 20.270 1.00 0.00 O ATOM 1612 OE2 GLU A 105 7.803 -7.858 20.607 1.00 0.00 O ATOM 0 H GLU A 105 7.137 -3.102 16.007 1.00 0.00 H new ATOM 0 HA GLU A 105 6.724 -5.849 16.241 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.721 -5.220 17.974 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.339 -4.849 18.985 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.766 -7.348 17.769 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.446 -7.426 18.261 1.00 0.00 H new ATOM 1619 N GLY A 106 4.647 -4.228 16.324 1.00 0.00 N ATOM 1620 CA GLY A 106 3.327 -3.698 16.603 1.00 0.00 C ATOM 1621 C GLY A 106 2.514 -4.599 17.509 1.00 0.00 C ATOM 1622 O GLY A 106 2.678 -4.575 18.729 1.00 0.00 O ATOM 0 H GLY A 106 4.831 -4.421 15.340 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.425 -2.716 17.067 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.792 -3.555 15.664 1.00 0.00 H new ATOM 1626 N LYS A 107 1.634 -5.395 16.911 1.00 0.00 N ATOM 1627 CA LYS A 107 0.786 -6.307 17.671 1.00 0.00 C ATOM 1628 C LYS A 107 0.356 -7.494 16.815 1.00 0.00 C ATOM 1629 O LYS A 107 0.564 -7.506 15.602 1.00 0.00 O ATOM 1630 CB LYS A 107 -0.450 -5.572 18.195 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.222 -4.856 19.518 1.00 0.00 C ATOM 1632 CD LYS A 107 -0.512 -3.368 19.407 1.00 0.00 C ATOM 1633 CE LYS A 107 0.764 -2.561 19.223 1.00 0.00 C ATOM 1634 NZ LYS A 107 0.553 -1.115 19.506 1.00 0.00 N ATOM 0 H LYS A 107 1.489 -5.427 15.902 1.00 0.00 H new ATOM 0 HA LYS A 107 1.366 -6.680 18.515 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.772 -4.845 17.450 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.263 -6.288 18.315 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.860 -5.295 20.285 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.809 -5.003 19.839 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.181 -3.189 18.565 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.031 -3.030 20.304 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.538 -2.951 19.884 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.126 -2.682 18.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.474 -0.636 19.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.007 -0.689 18.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.045 -1.008 20.407 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.251 -8.488 17.457 1.00 0.00 N ATOM 1649 CA ASN A 108 -0.717 -9.682 16.759 1.00 0.00 C ATOM 1650 C ASN A 108 0.443 -10.418 16.094 1.00 0.00 C ATOM 1651 O ASN A 108 0.982 -11.376 16.650 1.00 0.00 O ATOM 1652 CB ASN A 108 -1.775 -9.308 15.718 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.084 -8.880 16.350 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -3.884 -9.715 16.773 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -3.310 -7.573 16.419 1.00 0.00 N ATOM 0 H ASN A 108 -0.432 -8.490 18.461 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.164 -10.351 17.494 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -1.395 -8.500 15.093 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.953 -10.161 15.063 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.174 -7.226 16.835 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -2.619 -6.916 16.056 1.00 0.00 H new ATOM 1662 N ASN A 109 0.822 -9.968 14.904 1.00 0.00 N ATOM 1663 CA ASN A 109 1.918 -10.587 14.166 1.00 0.00 C ATOM 1664 C ASN A 109 2.449 -9.644 13.092 1.00 0.00 C ATOM 1665 O ASN A 109 2.919 -10.083 12.042 1.00 0.00 O ATOM 1666 CB ASN A 109 1.455 -11.900 13.529 1.00 0.00 C ATOM 1667 CG ASN A 109 2.480 -13.006 13.677 1.00 0.00 C ATOM 1668 OD1 ASN A 109 3.459 -12.869 14.410 1.00 0.00 O ATOM 1669 ND2 ASN A 109 2.259 -14.114 12.980 1.00 0.00 N ATOM 0 H ASN A 109 0.387 -9.177 14.429 1.00 0.00 H new ATOM 0 HA ASN A 109 2.724 -10.799 14.869 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.518 -12.213 13.989 1.00 0.00 H new ATOM 0 HB3 ASN A 109 1.252 -11.736 12.471 1.00 0.00 H new ATOM 0 HD21 ASN A 109 2.914 -14.894 13.040 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.434 -14.186 12.384 1.00 0.00 H new ATOM 1676 N ARG A 110 2.373 -8.346 13.363 1.00 0.00 N ATOM 1677 CA ARG A 110 2.847 -7.339 12.422 1.00 0.00 C ATOM 1678 C ARG A 110 3.982 -6.521 13.031 1.00 0.00 C ATOM 1679 O ARG A 110 3.746 -5.540 13.734 1.00 0.00 O ATOM 1680 CB ARG A 110 1.700 -6.412 12.012 1.00 0.00 C ATOM 1681 CG ARG A 110 0.579 -7.125 11.272 1.00 0.00 C ATOM 1682 CD ARG A 110 0.849 -7.188 9.779 1.00 0.00 C ATOM 1683 NE ARG A 110 1.922 -8.125 9.456 1.00 0.00 N ATOM 1684 CZ ARG A 110 2.592 -8.118 8.305 1.00 0.00 C ATOM 1685 NH1 ARG A 110 2.301 -7.227 7.365 1.00 0.00 N ATOM 1686 NH2 ARG A 110 3.555 -9.006 8.093 1.00 0.00 N ATOM 0 H ARG A 110 1.987 -7.966 14.228 1.00 0.00 H new ATOM 0 HA ARG A 110 3.224 -7.852 11.537 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.291 -5.937 12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.094 -5.617 11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.467 -8.135 11.665 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.363 -6.607 11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.061 -7.486 9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.114 -6.195 9.416 1.00 0.00 H new ATOM 0 HE ARG A 110 2.173 -8.826 10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.561 -6.543 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.818 -7.226 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.782 -9.694 8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.068 -9.001 7.212 1.00 0.00 H new ATOM 1700 N LEU A 111 5.215 -6.936 12.758 1.00 0.00 N ATOM 1701 CA LEU A 111 6.387 -6.243 13.280 1.00 0.00 C ATOM 1702 C LEU A 111 6.556 -4.882 12.615 1.00 0.00 C ATOM 1703 O LEU A 111 6.999 -3.922 13.245 1.00 0.00 O ATOM 1704 CB LEU A 111 7.645 -7.089 13.067 1.00 0.00 C ATOM 1705 CG LEU A 111 7.463 -8.591 13.299 1.00 0.00 C ATOM 1706 CD1 LEU A 111 7.248 -9.312 11.977 1.00 0.00 C ATOM 1707 CD2 LEU A 111 8.666 -9.167 14.032 1.00 0.00 C ATOM 0 H LEU A 111 5.428 -7.748 12.179 1.00 0.00 H new ATOM 0 HA LEU A 111 6.239 -6.089 14.349 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.000 -6.935 12.048 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.426 -6.726 13.735 1.00 0.00 H new ATOM 0 HG LEU A 111 6.579 -8.739 13.919 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.120 -10.379 12.161 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.356 -8.919 11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.113 -9.156 11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.519 -10.236 14.188 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.565 -9.007 13.437 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.776 -8.671 14.996 1.00 0.00 H new ATOM 1719 N PHE A 112 6.202 -4.806 11.337 1.00 0.00 N ATOM 1720 CA PHE A 112 6.314 -3.561 10.587 1.00 0.00 C ATOM 1721 C PHE A 112 5.064 -2.705 10.764 1.00 0.00 C ATOM 1722 O PHE A 112 4.172 -2.707 9.916 1.00 0.00 O ATOM 1723 CB PHE A 112 6.539 -3.854 9.102 1.00 0.00 C ATOM 1724 CG PHE A 112 7.636 -4.846 8.844 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.842 -4.760 9.524 1.00 0.00 C ATOM 1726 CD2 PHE A 112 7.463 -5.865 7.922 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.853 -5.672 9.287 1.00 0.00 C ATOM 1728 CE2 PHE A 112 8.471 -6.779 7.682 1.00 0.00 C ATOM 1729 CZ PHE A 112 9.667 -6.683 8.366 1.00 0.00 C ATOM 0 H PHE A 112 5.835 -5.591 10.799 1.00 0.00 H new ATOM 0 HA PHE A 112 7.169 -3.008 10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.612 -4.230 8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.775 -2.922 8.588 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.993 -3.972 10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.530 -5.946 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.788 -5.594 9.822 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.324 -7.568 6.960 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.455 -7.398 8.181 1.00 0.00 H new ATOM 1739 N VAL A 113 5.007 -1.975 11.872 1.00 0.00 N ATOM 1740 CA VAL A 113 3.866 -1.115 12.161 1.00 0.00 C ATOM 1741 C VAL A 113 4.320 0.261 12.632 1.00 0.00 C ATOM 1742 O VAL A 113 5.016 0.385 13.640 1.00 0.00 O ATOM 1743 CB VAL A 113 2.952 -1.737 13.233 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.681 -0.917 13.396 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.623 -3.180 12.880 1.00 0.00 C ATOM 0 H VAL A 113 5.737 -1.962 12.584 1.00 0.00 H new ATOM 0 HA VAL A 113 3.305 -1.011 11.232 1.00 0.00 H new ATOM 0 HB VAL A 113 3.483 -1.731 14.185 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.049 -1.373 14.158 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.939 0.098 13.699 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.143 -0.887 12.448 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.976 -3.604 13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.112 -3.212 11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.544 -3.759 12.821 1.00 0.00 H new ATOM 1755 N PHE A 114 3.921 1.291 11.896 1.00 0.00 N ATOM 1756 CA PHE A 114 4.284 2.662 12.239 1.00 0.00 C ATOM 1757 C PHE A 114 3.082 3.413 12.800 1.00 0.00 C ATOM 1758 O PHE A 114 2.056 3.550 12.134 1.00 0.00 O ATOM 1759 CB PHE A 114 4.835 3.390 11.011 1.00 0.00 C ATOM 1760 CG PHE A 114 3.855 3.487 9.876 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.665 2.418 9.014 1.00 0.00 C ATOM 1762 CD2 PHE A 114 3.126 4.645 9.670 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.765 2.504 7.969 1.00 0.00 C ATOM 1764 CE2 PHE A 114 2.225 4.740 8.626 1.00 0.00 C ATOM 1765 CZ PHE A 114 2.045 3.667 7.774 1.00 0.00 C ATOM 0 H PHE A 114 3.346 1.204 11.058 1.00 0.00 H new ATOM 0 HA PHE A 114 5.059 2.629 13.005 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.141 4.395 11.302 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.729 2.873 10.664 1.00 0.00 H new ATOM 0 HD1 PHE A 114 4.227 1.507 9.161 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.263 5.486 10.334 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.625 1.663 7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.663 5.650 8.477 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.342 3.737 6.957 1.00 0.00 H new ATOM 1775 N SER A 115 3.214 3.892 14.033 1.00 0.00 N ATOM 1776 CA SER A 115 2.138 4.626 14.687 1.00 0.00 C ATOM 1777 C SER A 115 2.277 6.127 14.461 1.00 0.00 C ATOM 1778 O SER A 115 3.350 6.698 14.652 1.00 0.00 O ATOM 1779 CB SER A 115 2.128 4.324 16.188 1.00 0.00 C ATOM 1780 OG SER A 115 1.188 5.139 16.866 1.00 0.00 O ATOM 0 H SER A 115 4.056 3.785 14.599 1.00 0.00 H new ATOM 0 HA SER A 115 1.195 4.301 14.248 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.886 3.273 16.349 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.123 4.489 16.602 1.00 0.00 H new ATOM 0 HG SER A 115 0.289 4.959 16.520 1.00 0.00 H new ATOM 1786 N ILE A 116 1.180 6.761 14.057 1.00 0.00 N ATOM 1787 CA ILE A 116 1.173 8.198 13.810 1.00 0.00 C ATOM 1788 C ILE A 116 0.733 8.956 15.056 1.00 0.00 C ATOM 1789 O ILE A 116 0.147 8.376 15.971 1.00 0.00 O ATOM 1790 CB ILE A 116 0.236 8.571 12.643 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.332 7.537 11.519 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.566 9.962 12.122 1.00 0.00 C ATOM 1793 CD1 ILE A 116 1.658 7.552 10.791 1.00 0.00 C ATOM 0 H ILE A 116 0.284 6.301 13.894 1.00 0.00 H new ATOM 0 HA ILE A 116 2.192 8.479 13.546 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.789 8.575 13.013 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.168 6.543 11.936 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.468 7.718 10.802 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.104 10.211 11.299 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.441 10.690 12.924 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.597 9.983 11.770 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.652 6.793 10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.816 8.533 10.343 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.462 7.341 11.496 1.00 0.00 H new ATOM 1805 N SER A 117 1.014 10.253 15.089 1.00 0.00 N ATOM 1806 CA SER A 117 0.641 11.084 16.228 1.00 0.00 C ATOM 1807 C SER A 117 0.375 12.521 15.793 1.00 0.00 C ATOM 1808 O SER A 117 0.477 12.851 14.611 1.00 0.00 O ATOM 1809 CB SER A 117 1.742 11.052 17.289 1.00 0.00 C ATOM 1810 OG SER A 117 2.271 9.747 17.440 1.00 0.00 O ATOM 0 H SER A 117 1.498 10.752 14.342 1.00 0.00 H new ATOM 0 HA SER A 117 -0.277 10.681 16.655 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.540 11.740 17.010 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.342 11.398 18.242 1.00 0.00 H new ATOM 0 HG SER A 117 2.865 9.546 16.687 1.00 0.00 H new ATOM 1816 N MET A 118 0.035 13.371 16.756 1.00 0.00 N ATOM 1817 CA MET A 118 -0.247 14.774 16.474 1.00 0.00 C ATOM 1818 C MET A 118 -0.021 15.635 17.716 1.00 0.00 C ATOM 1819 O MET A 118 -0.899 15.744 18.571 1.00 0.00 O ATOM 1820 CB MET A 118 -1.687 14.938 15.983 1.00 0.00 C ATOM 1821 CG MET A 118 -1.943 14.307 14.623 1.00 0.00 C ATOM 1822 SD MET A 118 -3.643 14.527 14.066 1.00 0.00 S ATOM 1823 CE MET A 118 -3.427 15.777 12.804 1.00 0.00 C ATOM 0 H MET A 118 -0.052 13.113 17.739 1.00 0.00 H new ATOM 0 HA MET A 118 0.437 15.106 15.693 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.364 14.494 16.713 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.926 16.000 15.932 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.265 14.744 13.890 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.716 13.242 14.672 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.385 15.982 12.327 1.00 0.00 H new ATOM 0 HE2 MET A 118 -3.045 16.691 13.259 1.00 0.00 H new ATOM 0 HE3 MET A 118 -2.719 15.420 12.056 1.00 0.00 H new ATOM 1833 N PRO A 119 1.165 16.262 17.835 1.00 0.00 N ATOM 1834 CA PRO A 119 1.494 17.113 18.985 1.00 0.00 C ATOM 1835 C PRO A 119 0.649 18.383 19.026 1.00 0.00 C ATOM 1836 O PRO A 119 0.414 18.947 20.095 1.00 0.00 O ATOM 1837 CB PRO A 119 2.970 17.458 18.767 1.00 0.00 C ATOM 1838 CG PRO A 119 3.188 17.301 17.304 1.00 0.00 C ATOM 1839 CD PRO A 119 2.274 16.192 16.866 1.00 0.00 C ATOM 0 HA PRO A 119 1.298 16.610 19.932 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.190 18.475 19.092 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.619 16.793 19.337 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.961 18.226 16.774 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.228 17.057 17.088 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.925 16.339 15.844 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.774 15.224 16.896 1.00 0.00 H new ATOM 1847 N SER A 120 0.198 18.826 17.858 1.00 0.00 N ATOM 1848 CA SER A 120 -0.621 20.028 17.761 1.00 0.00 C ATOM 1849 C SER A 120 -2.105 19.674 17.765 1.00 0.00 C ATOM 1850 O SER A 120 -2.887 20.217 16.983 1.00 0.00 O ATOM 1851 CB SER A 120 -0.272 20.808 16.492 1.00 0.00 C ATOM 1852 OG SER A 120 0.133 19.934 15.452 1.00 0.00 O ATOM 0 H SER A 120 0.386 18.371 16.965 1.00 0.00 H new ATOM 0 HA SER A 120 -0.412 20.653 18.630 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.136 21.388 16.168 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.526 21.519 16.706 1.00 0.00 H new ATOM 0 HG SER A 120 0.485 20.458 14.702 1.00 0.00 H new ATOM 1858 N VAL A 121 -2.486 18.758 18.649 1.00 0.00 N ATOM 1859 CA VAL A 121 -3.875 18.326 18.759 1.00 0.00 C ATOM 1860 C VAL A 121 -4.173 17.797 20.157 1.00 0.00 C ATOM 1861 O VAL A 121 -4.924 18.405 20.918 1.00 0.00 O ATOM 1862 CB VAL A 121 -4.199 17.225 17.729 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -5.673 16.848 17.785 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -3.807 17.670 16.328 1.00 0.00 C ATOM 0 H VAL A 121 -1.850 18.299 19.302 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.498 19.198 18.561 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.615 16.340 17.981 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.878 16.070 17.050 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.917 16.479 18.781 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.281 17.725 17.564 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.043 16.880 15.616 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.359 18.572 16.065 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.737 17.877 16.298 1.00 0.00 H new ATOM 1874 N ALA A 122 -3.579 16.653 20.481 1.00 0.00 N ATOM 1875 CA ALA A 122 -3.773 16.023 21.780 1.00 0.00 C ATOM 1876 C ALA A 122 -2.977 14.722 21.860 1.00 0.00 C ATOM 1877 O ALA A 122 -1.986 14.552 21.150 1.00 0.00 O ATOM 1878 CB ALA A 122 -5.255 15.769 22.024 1.00 0.00 C ATOM 0 H ALA A 122 -2.956 16.141 19.857 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.408 16.694 22.558 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.388 15.298 22.998 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.795 16.716 22.002 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.644 15.111 21.247 1.00 0.00 H new ATOM 1884 N GLN A 123 -3.411 13.806 22.717 1.00 0.00 N ATOM 1885 CA GLN A 123 -2.731 12.526 22.871 1.00 0.00 C ATOM 1886 C GLN A 123 -3.196 11.528 21.810 1.00 0.00 C ATOM 1887 O GLN A 123 -3.555 10.393 22.126 1.00 0.00 O ATOM 1888 CB GLN A 123 -2.980 11.957 24.270 1.00 0.00 C ATOM 1889 CG GLN A 123 -2.150 12.625 25.355 1.00 0.00 C ATOM 1890 CD GLN A 123 -1.212 11.659 26.052 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -0.226 11.204 25.470 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -1.513 11.340 27.304 1.00 0.00 N ATOM 0 H GLN A 123 -4.229 13.925 23.315 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.662 12.694 22.740 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -4.037 12.065 24.514 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -2.762 10.889 24.263 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -1.569 13.436 24.915 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -2.816 13.074 26.092 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -2.340 11.740 27.748 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -0.918 10.694 27.823 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.185 11.958 20.549 1.00 0.00 N ATOM 1902 CA TRP A 124 -3.606 11.098 19.447 1.00 0.00 C ATOM 1903 C TRP A 124 -2.461 10.199 18.991 1.00 0.00 C ATOM 1904 O TRP A 124 -1.392 10.682 18.616 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.103 11.944 18.275 1.00 0.00 C ATOM 1906 CG TRP A 124 -5.398 12.642 18.551 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -5.799 13.188 19.737 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -6.466 12.869 17.623 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -7.050 13.741 19.603 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -7.482 13.557 18.315 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -6.662 12.556 16.275 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -8.672 13.937 17.703 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -7.846 12.935 15.670 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -8.837 13.620 16.383 1.00 0.00 C ATOM 0 H TRP A 124 -2.890 12.893 20.267 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.421 10.467 19.802 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -3.345 12.686 18.026 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.223 11.305 17.400 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -5.218 13.186 20.647 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -7.572 14.212 20.342 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -5.903 12.028 15.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -9.439 14.464 18.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -8.009 12.698 14.629 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -9.750 13.904 15.881 1.00 0.00 H new ATOM 1925 N SER A 125 -2.695 8.892 19.023 1.00 0.00 N ATOM 1926 CA SER A 125 -1.683 7.925 18.612 1.00 0.00 C ATOM 1927 C SER A 125 -2.324 6.758 17.869 1.00 0.00 C ATOM 1928 O SER A 125 -2.811 5.808 18.484 1.00 0.00 O ATOM 1929 CB SER A 125 -0.914 7.410 19.829 1.00 0.00 C ATOM 1930 OG SER A 125 0.419 7.074 19.485 1.00 0.00 O ATOM 0 H SER A 125 -3.575 8.478 19.329 1.00 0.00 H new ATOM 0 HA SER A 125 -0.987 8.426 17.939 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.911 8.171 20.610 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.419 6.535 20.239 1.00 0.00 H new ATOM 0 HG SER A 125 0.890 6.749 20.280 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.321 6.833 16.542 1.00 0.00 N ATOM 1937 CA LEU A 126 -2.904 5.780 15.716 1.00 0.00 C ATOM 1938 C LEU A 126 -1.828 4.833 15.197 1.00 0.00 C ATOM 1939 O LEU A 126 -0.643 5.167 15.189 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.673 6.389 14.543 1.00 0.00 C ATOM 1941 CG LEU A 126 -2.859 7.326 13.651 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -3.288 7.188 12.199 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -3.003 8.767 14.119 1.00 0.00 C ATOM 0 H LEU A 126 -1.922 7.610 16.016 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.594 5.209 16.337 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.068 5.580 13.929 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.529 6.938 14.936 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.808 7.045 13.725 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.697 7.863 11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.131 6.161 11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.344 7.441 12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.417 9.420 13.472 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.052 9.060 14.076 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.644 8.854 15.144 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.248 3.649 14.765 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.321 2.649 14.245 1.00 0.00 C ATOM 1957 C ASP A 127 -1.609 2.346 12.779 1.00 0.00 C ATOM 1958 O ASP A 127 -2.766 2.301 12.358 1.00 0.00 O ATOM 1959 CB ASP A 127 -1.409 1.364 15.070 1.00 0.00 C ATOM 1960 CG ASP A 127 -0.914 1.553 16.491 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -0.220 2.558 16.749 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -1.219 0.694 17.344 1.00 0.00 O ATOM 0 H ASP A 127 -3.225 3.357 14.764 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.312 3.054 14.321 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -2.443 1.020 15.091 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -0.823 0.583 14.585 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.548 2.138 12.003 1.00 0.00 N ATOM 1968 CA VAL A 128 -0.685 1.836 10.583 1.00 0.00 C ATOM 1969 C VAL A 128 0.443 0.926 10.108 1.00 0.00 C ATOM 1970 O VAL A 128 1.591 1.070 10.531 1.00 0.00 O ATOM 1971 CB VAL A 128 -0.685 3.121 9.731 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.080 2.812 8.296 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -1.617 4.162 10.336 1.00 0.00 C ATOM 0 H VAL A 128 0.416 2.173 12.335 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.641 1.327 10.457 1.00 0.00 H new ATOM 0 HB VAL A 128 0.325 3.530 9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.074 3.732 7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.370 2.105 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.080 2.378 8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.605 5.062 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.631 3.764 10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.284 4.406 11.345 1.00 0.00 H new ATOM 1983 N ALA A 129 0.111 -0.014 9.228 1.00 0.00 N ATOM 1984 CA ALA A 129 1.099 -0.949 8.700 1.00 0.00 C ATOM 1985 C ALA A 129 0.790 -1.324 7.254 1.00 0.00 C ATOM 1986 O ALA A 129 -0.354 -1.625 6.911 1.00 0.00 O ATOM 1987 CB ALA A 129 1.156 -2.198 9.567 1.00 0.00 C ATOM 0 H ALA A 129 -0.833 -0.148 8.866 1.00 0.00 H new ATOM 0 HA ALA A 129 2.072 -0.457 8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.897 -2.888 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.434 -1.922 10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.178 -2.680 9.576 1.00 0.00 H new ATOM 1993 N ALA A 130 1.817 -1.307 6.410 1.00 0.00 N ATOM 1994 CA ALA A 130 1.656 -1.651 5.002 1.00 0.00 C ATOM 1995 C ALA A 130 2.100 -3.086 4.738 1.00 0.00 C ATOM 1996 O ALA A 130 3.113 -3.541 5.267 1.00 0.00 O ATOM 1997 CB ALA A 130 2.444 -0.682 4.130 1.00 0.00 C ATOM 0 H ALA A 130 2.770 -1.059 6.677 1.00 0.00 H new ATOM 0 HA ALA A 130 0.599 -1.572 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.316 -0.950 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.080 0.332 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.501 -0.735 4.391 1.00 0.00 H new ATOM 2003 N ASP A 131 1.331 -3.799 3.916 1.00 0.00 N ATOM 2004 CA ASP A 131 1.640 -5.186 3.584 1.00 0.00 C ATOM 2005 C ASP A 131 3.075 -5.322 3.077 1.00 0.00 C ATOM 2006 O ASP A 131 3.742 -6.325 3.331 1.00 0.00 O ATOM 2007 CB ASP A 131 0.665 -5.708 2.528 1.00 0.00 C ATOM 2008 CG ASP A 131 0.497 -7.214 2.589 1.00 0.00 C ATOM 2009 OD1 ASP A 131 0.648 -7.783 3.690 1.00 0.00 O ATOM 2010 OD2 ASP A 131 0.215 -7.823 1.536 1.00 0.00 O ATOM 0 H ASP A 131 0.489 -3.437 3.468 1.00 0.00 H new ATOM 0 HA ASP A 131 1.537 -5.780 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.305 -5.231 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.021 -5.425 1.537 1.00 0.00 H new ATOM 2015 N SER A 132 3.540 -4.304 2.362 1.00 0.00 N ATOM 2016 CA SER A 132 4.893 -4.304 1.818 1.00 0.00 C ATOM 2017 C SER A 132 5.815 -3.432 2.659 1.00 0.00 C ATOM 2018 O SER A 132 5.632 -2.218 2.741 1.00 0.00 O ATOM 2019 CB SER A 132 4.883 -3.808 0.370 1.00 0.00 C ATOM 2020 OG SER A 132 6.185 -3.444 -0.054 1.00 0.00 O ATOM 0 H SER A 132 2.999 -3.467 2.145 1.00 0.00 H new ATOM 0 HA SER A 132 5.268 -5.327 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.490 -4.588 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 132 4.215 -2.951 0.281 1.00 0.00 H new ATOM 0 HG SER A 132 6.124 -2.725 -0.717 1.00 0.00 H new ATOM 2026 N GLN A 133 6.814 -4.061 3.275 1.00 0.00 N ATOM 2027 CA GLN A 133 7.775 -3.338 4.101 1.00 0.00 C ATOM 2028 C GLN A 133 8.296 -2.113 3.360 1.00 0.00 C ATOM 2029 O GLN A 133 8.671 -1.111 3.972 1.00 0.00 O ATOM 2030 CB GLN A 133 8.939 -4.253 4.487 1.00 0.00 C ATOM 2031 CG GLN A 133 9.450 -4.025 5.899 1.00 0.00 C ATOM 2032 CD GLN A 133 10.756 -3.255 5.930 1.00 0.00 C ATOM 2033 OE1 GLN A 133 11.801 -3.883 6.455 1.00 0.00 O flip ATOM 2034 NE2 GLN A 133 10.824 -2.109 5.485 1.00 0.00 N flip ATOM 0 H GLN A 133 6.978 -5.066 3.217 1.00 0.00 H new ATOM 0 HA GLN A 133 7.271 -3.009 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.622 -5.291 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.758 -4.101 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 133 8.698 -3.480 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 133 9.588 -4.988 6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.995 -1.665 5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 133 11.710 -1.604 5.511 1.00 0.00 H new ATOM 2043 N GLU A 134 8.304 -2.196 2.032 1.00 0.00 N ATOM 2044 CA GLU A 134 8.765 -1.091 1.201 1.00 0.00 C ATOM 2045 C GLU A 134 7.736 0.030 1.199 1.00 0.00 C ATOM 2046 O GLU A 134 8.085 1.210 1.259 1.00 0.00 O ATOM 2047 CB GLU A 134 9.028 -1.567 -0.229 1.00 0.00 C ATOM 2048 CG GLU A 134 9.909 -2.803 -0.308 1.00 0.00 C ATOM 2049 CD GLU A 134 10.562 -2.968 -1.666 1.00 0.00 C ATOM 2050 OE1 GLU A 134 10.803 -1.942 -2.337 1.00 0.00 O ATOM 2051 OE2 GLU A 134 10.830 -4.123 -2.059 1.00 0.00 O ATOM 0 H GLU A 134 7.997 -3.017 1.510 1.00 0.00 H new ATOM 0 HA GLU A 134 9.699 -0.713 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.075 -1.779 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 134 9.498 -0.760 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.682 -2.743 0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.310 -3.686 -0.087 1.00 0.00 H new ATOM 2058 N GLU A 135 6.465 -0.348 1.146 1.00 0.00 N ATOM 2059 CA GLU A 135 5.380 0.622 1.153 1.00 0.00 C ATOM 2060 C GLU A 135 5.288 1.292 2.518 1.00 0.00 C ATOM 2061 O GLU A 135 4.934 2.465 2.622 1.00 0.00 O ATOM 2062 CB GLU A 135 4.053 -0.059 0.810 1.00 0.00 C ATOM 2063 CG GLU A 135 3.659 0.082 -0.651 1.00 0.00 C ATOM 2064 CD GLU A 135 3.989 -1.154 -1.465 1.00 0.00 C ATOM 2065 OE1 GLU A 135 3.149 -2.078 -1.508 1.00 0.00 O ATOM 2066 OE2 GLU A 135 5.088 -1.199 -2.057 1.00 0.00 O ATOM 0 H GLU A 135 6.161 -1.320 1.098 1.00 0.00 H new ATOM 0 HA GLU A 135 5.586 1.381 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.122 -1.118 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.265 0.364 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.590 0.282 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.171 0.943 -1.080 1.00 0.00 H new ATOM 2073 N LEU A 136 5.618 0.536 3.560 1.00 0.00 N ATOM 2074 CA LEU A 136 5.582 1.054 4.921 1.00 0.00 C ATOM 2075 C LEU A 136 6.636 2.136 5.107 1.00 0.00 C ATOM 2076 O LEU A 136 6.355 3.203 5.653 1.00 0.00 O ATOM 2077 CB LEU A 136 5.807 -0.077 5.929 1.00 0.00 C ATOM 2078 CG LEU A 136 5.796 0.354 7.398 1.00 0.00 C ATOM 2079 CD1 LEU A 136 5.052 -0.664 8.247 1.00 0.00 C ATOM 2080 CD2 LEU A 136 7.217 0.543 7.908 1.00 0.00 C ATOM 0 H LEU A 136 5.913 -0.438 3.487 1.00 0.00 H new ATOM 0 HA LEU A 136 4.598 1.490 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.036 -0.833 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.764 -0.552 5.712 1.00 0.00 H new ATOM 0 HG LEU A 136 5.275 1.308 7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.055 -0.341 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.024 -0.749 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.544 -1.633 8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.191 0.849 8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.764 -0.396 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.716 1.311 7.317 1.00 0.00 H new ATOM 2092 N GLN A 137 7.845 1.857 4.639 1.00 0.00 N ATOM 2093 CA GLN A 137 8.939 2.814 4.743 1.00 0.00 C ATOM 2094 C GLN A 137 8.698 3.995 3.812 1.00 0.00 C ATOM 2095 O GLN A 137 8.966 5.144 4.161 1.00 0.00 O ATOM 2096 CB GLN A 137 10.273 2.144 4.407 1.00 0.00 C ATOM 2097 CG GLN A 137 10.768 1.196 5.488 1.00 0.00 C ATOM 2098 CD GLN A 137 11.215 1.923 6.740 1.00 0.00 C ATOM 2099 OE1 GLN A 137 10.259 2.273 7.594 1.00 0.00 O flip ATOM 2100 NE2 GLN A 137 12.405 2.167 6.939 1.00 0.00 N flip ATOM 0 H GLN A 137 8.093 0.978 4.185 1.00 0.00 H new ATOM 0 HA GLN A 137 8.981 3.177 5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 137 10.168 1.593 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 137 11.025 2.915 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 137 9.973 0.495 5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.598 0.608 5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 137 13.106 1.880 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 137 12.690 2.657 7.787 1.00 0.00 H new ATOM 2109 N ASP A 138 8.179 3.701 2.626 1.00 0.00 N ATOM 2110 CA ASP A 138 7.887 4.736 1.647 1.00 0.00 C ATOM 2111 C ASP A 138 6.731 5.604 2.124 1.00 0.00 C ATOM 2112 O ASP A 138 6.669 6.795 1.822 1.00 0.00 O ATOM 2113 CB ASP A 138 7.552 4.109 0.292 1.00 0.00 C ATOM 2114 CG ASP A 138 7.516 5.132 -0.826 1.00 0.00 C ATOM 2115 OD1 ASP A 138 7.056 6.267 -0.578 1.00 0.00 O ATOM 2116 OD2 ASP A 138 7.949 4.800 -1.950 1.00 0.00 O ATOM 0 H ASP A 138 7.952 2.754 2.321 1.00 0.00 H new ATOM 0 HA ASP A 138 8.771 5.363 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.291 3.343 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.585 3.610 0.355 1.00 0.00 H new ATOM 2121 N TRP A 139 5.816 5.000 2.879 1.00 0.00 N ATOM 2122 CA TRP A 139 4.668 5.725 3.403 1.00 0.00 C ATOM 2123 C TRP A 139 5.105 6.734 4.456 1.00 0.00 C ATOM 2124 O TRP A 139 4.688 7.892 4.433 1.00 0.00 O ATOM 2125 CB TRP A 139 3.644 4.756 4.000 1.00 0.00 C ATOM 2126 CG TRP A 139 2.472 4.523 3.100 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.507 4.016 1.835 1.00 0.00 C ATOM 2128 CD2 TRP A 139 1.097 4.796 3.388 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.237 3.954 1.317 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.352 4.427 2.252 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.420 5.313 4.497 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.033 4.560 2.193 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -0.954 5.446 4.436 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.667 5.069 3.292 1.00 0.00 C ATOM 0 H TRP A 139 5.849 4.014 3.139 1.00 0.00 H new ATOM 0 HA TRP A 139 4.202 6.261 2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 139 4.131 3.803 4.209 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.291 5.149 4.953 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.403 3.708 1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.992 3.612 0.388 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.961 5.603 5.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.586 4.272 1.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.487 5.848 5.285 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.741 5.183 3.277 1.00 0.00 H new ATOM 2145 N VAL A 140 5.951 6.288 5.375 1.00 0.00 N ATOM 2146 CA VAL A 140 6.448 7.154 6.437 1.00 0.00 C ATOM 2147 C VAL A 140 7.218 8.336 5.855 1.00 0.00 C ATOM 2148 O VAL A 140 7.095 9.468 6.328 1.00 0.00 O ATOM 2149 CB VAL A 140 7.340 6.373 7.436 1.00 0.00 C ATOM 2150 CG1 VAL A 140 8.816 6.470 7.069 1.00 0.00 C ATOM 2151 CG2 VAL A 140 7.105 6.868 8.854 1.00 0.00 C ATOM 0 H VAL A 140 6.307 5.333 5.407 1.00 0.00 H new ATOM 0 HA VAL A 140 5.583 7.532 6.982 1.00 0.00 H new ATOM 0 HB VAL A 140 7.059 5.321 7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 140 9.408 5.910 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.971 6.054 6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 140 9.125 7.515 7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.738 6.310 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 140 7.349 7.929 8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.059 6.721 9.122 1.00 0.00 H new ATOM 2161 N LYS A 141 8.009 8.064 4.823 1.00 0.00 N ATOM 2162 CA LYS A 141 8.795 9.104 4.174 1.00 0.00 C ATOM 2163 C LYS A 141 7.890 10.086 3.441 1.00 0.00 C ATOM 2164 O LYS A 141 8.147 11.289 3.426 1.00 0.00 O ATOM 2165 CB LYS A 141 9.798 8.486 3.200 1.00 0.00 C ATOM 2166 CG LYS A 141 11.010 7.871 3.883 1.00 0.00 C ATOM 2167 CD LYS A 141 11.997 7.312 2.871 1.00 0.00 C ATOM 2168 CE LYS A 141 11.862 5.805 2.734 1.00 0.00 C ATOM 2169 NZ LYS A 141 13.186 5.139 2.585 1.00 0.00 N ATOM 0 H LYS A 141 8.122 7.134 4.419 1.00 0.00 H new ATOM 0 HA LYS A 141 9.342 9.647 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.295 7.719 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 141 10.135 9.253 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.504 8.624 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.686 7.076 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.831 7.783 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 141 13.013 7.561 3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.351 5.405 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 141 11.240 5.574 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.050 4.112 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.663 5.501 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.771 5.338 3.422 1.00 0.00 H new ATOM 2183 N LYS A 142 6.827 9.566 2.841 1.00 0.00 N ATOM 2184 CA LYS A 142 5.881 10.403 2.115 1.00 0.00 C ATOM 2185 C LYS A 142 5.131 11.308 3.078 1.00 0.00 C ATOM 2186 O LYS A 142 5.091 12.523 2.895 1.00 0.00 O ATOM 2187 CB LYS A 142 4.900 9.543 1.318 1.00 0.00 C ATOM 2188 CG LYS A 142 5.487 8.983 0.032 1.00 0.00 C ATOM 2189 CD LYS A 142 4.642 9.352 -1.177 1.00 0.00 C ATOM 2190 CE LYS A 142 5.450 9.277 -2.463 1.00 0.00 C ATOM 2191 NZ LYS A 142 4.574 9.166 -3.663 1.00 0.00 N ATOM 0 H LYS A 142 6.599 8.572 2.843 1.00 0.00 H new ATOM 0 HA LYS A 142 6.439 11.024 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 142 4.563 8.717 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 142 4.020 10.139 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 142 6.500 9.363 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 142 5.561 7.898 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 142 3.786 8.680 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 142 4.247 10.360 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 142 6.076 10.165 -2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 142 6.120 8.418 -2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 5.041 8.575 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 3.668 8.732 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 4.401 10.114 -4.055 1.00 0.00 H new ATOM 2205 N ILE A 143 4.554 10.717 4.120 1.00 0.00 N ATOM 2206 CA ILE A 143 3.832 11.495 5.118 1.00 0.00 C ATOM 2207 C ILE A 143 4.735 12.594 5.659 1.00 0.00 C ATOM 2208 O ILE A 143 4.287 13.703 5.955 1.00 0.00 O ATOM 2209 CB ILE A 143 3.343 10.610 6.283 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.408 9.520 5.761 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.638 11.453 7.338 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.056 8.478 6.799 1.00 0.00 C ATOM 0 H ILE A 143 4.572 9.712 4.294 1.00 0.00 H new ATOM 0 HA ILE A 143 2.958 11.932 4.636 1.00 0.00 H new ATOM 0 HB ILE A 143 4.209 10.137 6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.491 9.983 5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.877 9.028 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.301 10.810 8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.329 12.200 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.779 11.953 6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.390 7.736 6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 143 2.966 7.988 7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.558 8.958 7.642 1.00 0.00 H new ATOM 2224 N ARG A 144 6.022 12.274 5.767 1.00 0.00 N ATOM 2225 CA ARG A 144 7.009 13.226 6.252 1.00 0.00 C ATOM 2226 C ARG A 144 7.401 14.204 5.146 1.00 0.00 C ATOM 2227 O ARG A 144 7.790 15.340 5.422 1.00 0.00 O ATOM 2228 CB ARG A 144 8.248 12.492 6.769 1.00 0.00 C ATOM 2229 CG ARG A 144 8.244 12.278 8.273 1.00 0.00 C ATOM 2230 CD ARG A 144 9.249 11.214 8.688 1.00 0.00 C ATOM 2231 NE ARG A 144 9.578 11.295 10.108 1.00 0.00 N ATOM 2232 CZ ARG A 144 10.147 10.306 10.794 1.00 0.00 C ATOM 2233 NH1 ARG A 144 10.447 9.161 10.196 1.00 0.00 N ATOM 2234 NH2 ARG A 144 10.416 10.465 12.083 1.00 0.00 N ATOM 0 H ARG A 144 6.403 11.360 5.524 1.00 0.00 H new ATOM 0 HA ARG A 144 6.566 13.790 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.320 11.524 6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.137 13.059 6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.478 13.217 8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.246 11.983 8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.844 10.227 8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 144 10.159 11.325 8.098 1.00 0.00 H new ATOM 0 HE ARG A 144 9.359 12.159 10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.242 9.034 9.205 1.00 0.00 H new ATOM 0 HH12 ARG A 144 10.883 8.407 10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 144 10.187 11.344 12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 144 10.852 9.708 12.610 1.00 0.00 H new ATOM 2248 N GLU A 145 7.293 13.763 3.893 1.00 0.00 N ATOM 2249 CA GLU A 145 7.635 14.613 2.759 1.00 0.00 C ATOM 2250 C GLU A 145 6.525 15.621 2.485 1.00 0.00 C ATOM 2251 O GLU A 145 6.786 16.752 2.077 1.00 0.00 O ATOM 2252 CB GLU A 145 7.894 13.763 1.512 1.00 0.00 C ATOM 2253 CG GLU A 145 8.799 14.438 0.494 1.00 0.00 C ATOM 2254 CD GLU A 145 8.047 15.395 -0.410 1.00 0.00 C ATOM 2255 OE1 GLU A 145 7.426 14.926 -1.386 1.00 0.00 O ATOM 2256 OE2 GLU A 145 8.081 16.615 -0.142 1.00 0.00 O ATOM 0 H GLU A 145 6.973 12.828 3.641 1.00 0.00 H new ATOM 0 HA GLU A 145 8.545 15.160 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.343 12.817 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 145 6.941 13.527 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.586 14.981 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.287 13.676 -0.115 1.00 0.00 H new ATOM 2263 N VAL A 146 5.286 15.204 2.721 1.00 0.00 N ATOM 2264 CA VAL A 146 4.137 16.073 2.511 1.00 0.00 C ATOM 2265 C VAL A 146 3.941 16.992 3.710 1.00 0.00 C ATOM 2266 O VAL A 146 3.450 18.113 3.575 1.00 0.00 O ATOM 2267 CB VAL A 146 2.850 15.260 2.267 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.533 14.376 3.464 1.00 0.00 C ATOM 2269 CG2 VAL A 146 1.683 16.183 1.953 1.00 0.00 C ATOM 0 H VAL A 146 5.053 14.270 3.058 1.00 0.00 H new ATOM 0 HA VAL A 146 4.337 16.672 1.622 1.00 0.00 H new ATOM 0 HB VAL A 146 3.015 14.614 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 146 1.621 13.812 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.358 13.684 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 146 2.393 14.998 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 146 0.785 15.589 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 146 1.518 16.860 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 146 1.908 16.763 1.058 1.00 0.00 H new ATOM 2279 N ALA A 147 4.343 16.513 4.882 1.00 0.00 N ATOM 2280 CA ALA A 147 4.226 17.292 6.104 1.00 0.00 C ATOM 2281 C ALA A 147 5.375 18.283 6.216 1.00 0.00 C ATOM 2282 O ALA A 147 5.208 19.394 6.718 1.00 0.00 O ATOM 2283 CB ALA A 147 4.203 16.375 7.313 1.00 0.00 C ATOM 0 H ALA A 147 4.753 15.588 5.009 1.00 0.00 H new ATOM 0 HA ALA A 147 3.290 17.849 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.115 16.972 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.352 15.698 7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.126 15.796 7.348 1.00 0.00 H new ATOM 2289 N GLN A 148 6.545 17.872 5.737 1.00 0.00 N ATOM 2290 CA GLN A 148 7.725 18.724 5.774 1.00 0.00 C ATOM 2291 C GLN A 148 7.692 19.752 4.646 1.00 0.00 C ATOM 2292 O GLN A 148 8.489 20.689 4.629 1.00 0.00 O ATOM 2293 CB GLN A 148 8.996 17.877 5.670 1.00 0.00 C ATOM 2294 CG GLN A 148 10.273 18.697 5.696 1.00 0.00 C ATOM 2295 CD GLN A 148 11.362 18.055 6.534 1.00 0.00 C ATOM 2296 OE1 GLN A 148 11.084 17.234 7.410 1.00 0.00 O ATOM 2297 NE2 GLN A 148 12.608 18.426 6.271 1.00 0.00 N ATOM 0 H GLN A 148 6.700 16.954 5.319 1.00 0.00 H new ATOM 0 HA GLN A 148 7.727 19.256 6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.015 17.162 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.963 17.299 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.635 18.831 4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.055 19.690 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.792 19.109 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.382 18.028 6.803 1.00 0.00 H new ATOM 2306 N THR A 149 6.766 19.574 3.706 1.00 0.00 N ATOM 2307 CA THR A 149 6.638 20.494 2.580 1.00 0.00 C ATOM 2308 C THR A 149 5.392 21.366 2.722 1.00 0.00 C ATOM 2309 O THR A 149 5.304 22.438 2.124 1.00 0.00 O ATOM 2310 CB THR A 149 6.590 19.722 1.261 1.00 0.00 C ATOM 2311 OG1 THR A 149 6.651 20.609 0.159 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.345 18.876 1.102 1.00 0.00 C ATOM 0 H THR A 149 6.096 18.805 3.702 1.00 0.00 H new ATOM 0 HA THR A 149 7.513 21.144 2.578 1.00 0.00 H new ATOM 0 HB THR A 149 7.455 19.060 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 149 6.621 20.096 -0.676 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.378 18.357 0.144 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.296 18.145 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.463 19.516 1.138 1.00 0.00 H new ATOM 2320 N ALA A 150 4.432 20.900 3.516 1.00 0.00 N ATOM 2321 CA ALA A 150 3.196 21.641 3.733 1.00 0.00 C ATOM 2322 C ALA A 150 3.276 22.485 5.001 1.00 0.00 C ATOM 2323 O ALA A 150 3.977 22.066 5.946 1.00 0.00 O ATOM 2324 CB ALA A 150 2.015 20.685 3.807 1.00 0.00 C ATOM 2325 OXT ALA A 150 2.641 23.559 5.037 1.00 0.00 O ATOM 0 H ALA A 150 4.487 20.014 4.018 1.00 0.00 H new ATOM 0 HA ALA A 150 3.053 22.315 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 150 1.098 21.251 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 150 1.938 20.129 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.162 19.988 4.632 1.00 0.00 H new