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 98 CYS SG : rot 180:sc= -1.04 USER MOD Set 1.2: A 118 MET CE :methyl 163:sc= -0.0707 (180deg=-1.02) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 4 ASN :FLIP amide:sc= -0.0549 F(o=-0.72,f=0.15) USER MOD Set 3.2: A 21 TYR OH : rot -87:sc= 0.205 USER MOD Single : A 1 SER N :NH3+ -129:sc= 0.104 (180deg=-0.0619) USER MOD Single : A 1 SER OG : rot 180:sc= 0.061 USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0161) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.395 F(o=-1.8,f=-0.39) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= 0.986 K(o=0.99,f=-5.8!) USER MOD Single : A 25 THR OG1 : rot 117:sc= -3.92 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 30:sc= -0.854 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -147:sc= -0.154 (180deg=-0.885) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.26) USER MOD Single : A 115 SER OG : rot 33:sc= 0.685 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.505 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 51:sc= 1.2 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.387 13.557 -3.612 1.00 0.00 N ATOM 2 CA SER A 1 -3.338 12.075 -3.509 1.00 0.00 C ATOM 3 C SER A 1 -1.986 11.536 -3.967 1.00 0.00 C ATOM 4 O SER A 1 -1.872 10.953 -5.045 1.00 0.00 O ATOM 5 CB SER A 1 -4.459 11.488 -4.369 1.00 0.00 C ATOM 6 OG SER A 1 -5.587 12.345 -4.391 1.00 0.00 O ATOM 0 H1 SER A 1 -3.712 13.957 -2.709 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.438 13.921 -3.830 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.046 13.831 -4.369 1.00 0.00 H new ATOM 0 HA SER A 1 -3.473 11.784 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.098 11.331 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.748 10.512 -3.979 1.00 0.00 H new ATOM 0 HG SER A 1 -6.288 11.948 -4.949 1.00 0.00 H new ATOM 14 N ILE A 2 -0.964 11.735 -3.140 1.00 0.00 N ATOM 15 CA ILE A 2 0.379 11.269 -3.461 1.00 0.00 C ATOM 16 C ILE A 2 0.515 9.772 -3.213 1.00 0.00 C ATOM 17 O ILE A 2 1.206 9.070 -3.950 1.00 0.00 O ATOM 18 CB ILE A 2 1.446 12.009 -2.632 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.221 13.519 -2.700 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.841 11.653 -3.123 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.015 14.293 -1.670 1.00 0.00 C ATOM 0 H ILE A 2 -1.041 12.215 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 2 0.539 11.479 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 2 1.357 11.695 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.488 13.874 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.160 13.727 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.583 12.184 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.998 10.579 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.943 11.941 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.807 15.358 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.731 13.965 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.079 14.114 -1.822 1.00 0.00 H new ATOM 33 N LYS A 3 -0.149 9.289 -2.168 1.00 0.00 N ATOM 34 CA LYS A 3 -0.099 7.874 -1.823 1.00 0.00 C ATOM 35 C LYS A 3 -1.479 7.359 -1.425 1.00 0.00 C ATOM 36 O LYS A 3 -1.947 7.602 -0.313 1.00 0.00 O ATOM 37 CB LYS A 3 0.895 7.641 -0.683 1.00 0.00 C ATOM 38 CG LYS A 3 1.804 6.442 -0.905 1.00 0.00 C ATOM 39 CD LYS A 3 3.178 6.863 -1.399 1.00 0.00 C ATOM 40 CE LYS A 3 4.147 5.692 -1.416 1.00 0.00 C ATOM 41 NZ LYS A 3 3.731 4.641 -2.385 1.00 0.00 N ATOM 0 H LYS A 3 -0.727 9.856 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 3 0.232 7.323 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.508 8.533 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.343 7.501 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.907 5.886 0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.347 5.768 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.093 7.281 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.570 7.652 -0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.144 6.049 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.212 5.260 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.444 3.884 -2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.814 4.246 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.645 5.058 -3.334 1.00 0.00 H new ATOM 55 N ASN A 4 -2.124 6.647 -2.343 1.00 0.00 N ATOM 56 CA ASN A 4 -3.450 6.096 -2.089 1.00 0.00 C ATOM 57 C ASN A 4 -3.506 4.621 -2.475 1.00 0.00 C ATOM 58 O ASN A 4 -3.199 4.253 -3.609 1.00 0.00 O ATOM 59 CB ASN A 4 -4.507 6.878 -2.869 1.00 0.00 C ATOM 60 CG ASN A 4 -4.207 6.937 -4.354 1.00 0.00 C ATOM 61 OD1 ASN A 4 -4.669 5.933 -5.090 1.00 0.00 O flip ATOM 62 ND2 ASN A 4 -3.567 7.873 -4.832 1.00 0.00 N flip ATOM 0 H ASN A 4 -1.750 6.438 -3.269 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.656 6.184 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.482 6.416 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.570 7.892 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.232 8.623 -4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.372 7.899 -5.833 1.00 0.00 H new ATOM 69 N GLY A 5 -3.900 3.780 -1.524 1.00 0.00 N ATOM 70 CA GLY A 5 -3.988 2.356 -1.784 1.00 0.00 C ATOM 71 C GLY A 5 -4.757 1.615 -0.708 1.00 0.00 C ATOM 72 O GLY A 5 -5.693 2.158 -0.121 1.00 0.00 O ATOM 0 H GLY A 5 -4.160 4.060 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.472 2.195 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.983 1.941 -1.859 1.00 0.00 H new ATOM 76 N ILE A 6 -4.365 0.373 -0.451 1.00 0.00 N ATOM 77 CA ILE A 6 -5.025 -0.445 0.559 1.00 0.00 C ATOM 78 C ILE A 6 -4.141 -0.620 1.790 1.00 0.00 C ATOM 79 O ILE A 6 -3.405 -1.601 1.902 1.00 0.00 O ATOM 80 CB ILE A 6 -5.393 -1.834 0.006 1.00 0.00 C ATOM 81 CG1 ILE A 6 -6.117 -1.698 -1.334 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.255 -2.592 1.005 1.00 0.00 C ATOM 83 CD1 ILE A 6 -7.455 -0.999 -1.230 1.00 0.00 C ATOM 0 H ILE A 6 -3.592 -0.090 -0.929 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.938 0.079 0.841 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.475 -2.399 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.481 -1.147 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.267 -2.690 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.506 -3.572 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.706 -2.716 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.171 -2.032 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.911 -0.938 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.108 -1.561 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.311 0.006 -0.834 1.00 0.00 H new ATOM 95 N LEU A 7 -4.218 0.336 2.711 1.00 0.00 N ATOM 96 CA LEU A 7 -3.425 0.282 3.933 1.00 0.00 C ATOM 97 C LEU A 7 -4.160 -0.492 5.023 1.00 0.00 C ATOM 98 O LEU A 7 -5.365 -0.721 4.929 1.00 0.00 O ATOM 99 CB LEU A 7 -3.098 1.699 4.417 1.00 0.00 C ATOM 100 CG LEU A 7 -1.607 2.039 4.455 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.905 1.235 5.537 1.00 0.00 C ATOM 102 CD2 LEU A 7 -0.969 1.781 3.098 1.00 0.00 C ATOM 0 H LEU A 7 -4.820 1.155 2.634 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.493 -0.239 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.602 2.414 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.511 1.830 5.417 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.500 3.098 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.155 1.490 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.346 1.467 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.020 0.171 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.092 2.028 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.086 0.730 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.455 2.400 2.344 1.00 0.00 H new ATOM 114 N TYR A 8 -3.426 -0.894 6.056 1.00 0.00 N ATOM 115 CA TYR A 8 -4.009 -1.646 7.161 1.00 0.00 C ATOM 116 C TYR A 8 -4.049 -0.808 8.435 1.00 0.00 C ATOM 117 O TYR A 8 -3.207 0.065 8.643 1.00 0.00 O ATOM 118 CB TYR A 8 -3.214 -2.930 7.407 1.00 0.00 C ATOM 119 CG TYR A 8 -3.252 -3.900 6.246 1.00 0.00 C ATOM 120 CD1 TYR A 8 -4.427 -4.118 5.536 1.00 0.00 C ATOM 121 CD2 TYR A 8 -2.114 -4.596 5.859 1.00 0.00 C ATOM 122 CE1 TYR A 8 -4.465 -5.002 4.474 1.00 0.00 C ATOM 123 CE2 TYR A 8 -2.145 -5.481 4.797 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.323 -5.680 4.109 1.00 0.00 C ATOM 125 OH TYR A 8 -3.356 -6.561 3.052 1.00 0.00 O ATOM 0 H TYR A 8 -2.427 -0.712 6.151 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.032 -1.905 6.888 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.177 -2.670 7.618 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.606 -3.425 8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.325 -3.588 5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.190 -4.443 6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.386 -5.160 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.251 -6.014 4.508 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.467 -6.954 2.926 1.00 0.00 H new ATOM 135 N LEU A 9 -5.034 -1.082 9.285 1.00 0.00 N ATOM 136 CA LEU A 9 -5.188 -0.357 10.541 1.00 0.00 C ATOM 137 C LEU A 9 -6.067 -1.138 11.512 1.00 0.00 C ATOM 138 O LEU A 9 -7.162 -1.578 11.155 1.00 0.00 O ATOM 139 CB LEU A 9 -5.790 1.028 10.289 1.00 0.00 C ATOM 140 CG LEU A 9 -6.864 1.082 9.202 1.00 0.00 C ATOM 141 CD1 LEU A 9 -7.799 2.258 9.435 1.00 0.00 C ATOM 142 CD2 LEU A 9 -6.223 1.171 7.824 1.00 0.00 C ATOM 0 H LEU A 9 -5.738 -1.802 9.126 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.200 -0.237 10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.220 1.395 11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.986 1.712 10.018 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.450 0.164 9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.557 2.281 8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.283 2.151 10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.228 3.186 9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.002 1.209 7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.613 2.072 7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.595 0.296 7.658 1.00 0.00 H new ATOM 154 N GLU A 10 -5.582 -1.311 12.736 1.00 0.00 N ATOM 155 CA GLU A 10 -6.325 -2.045 13.755 1.00 0.00 C ATOM 156 C GLU A 10 -7.287 -1.127 14.502 1.00 0.00 C ATOM 157 O GLU A 10 -6.875 -0.139 15.110 1.00 0.00 O ATOM 158 CB GLU A 10 -5.362 -2.702 14.746 1.00 0.00 C ATOM 159 CG GLU A 10 -4.464 -1.713 15.472 1.00 0.00 C ATOM 160 CD GLU A 10 -4.922 -1.445 16.892 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.917 -2.393 17.706 1.00 0.00 O ATOM 162 OE2 GLU A 10 -5.283 -0.288 17.191 1.00 0.00 O ATOM 0 H GLU A 10 -4.679 -0.954 13.047 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.906 -2.818 13.252 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.938 -3.264 15.481 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.740 -3.421 14.212 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.445 -2.098 15.489 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.441 -0.774 14.918 1.00 0.00 H new ATOM 169 N ASP A 11 -8.572 -1.465 14.457 1.00 0.00 N ATOM 170 CA ASP A 11 -9.594 -0.678 15.135 1.00 0.00 C ATOM 171 C ASP A 11 -9.784 -1.166 16.571 1.00 0.00 C ATOM 172 O ASP A 11 -9.635 -2.354 16.854 1.00 0.00 O ATOM 173 CB ASP A 11 -10.916 -0.754 14.369 1.00 0.00 C ATOM 174 CG ASP A 11 -11.552 0.608 14.174 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.072 1.367 13.304 1.00 0.00 O ATOM 176 OD2 ASP A 11 -12.528 0.917 14.889 1.00 0.00 O ATOM 0 H ASP A 11 -8.930 -2.279 13.958 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.266 0.361 15.165 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.743 -1.213 13.396 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.608 -1.401 14.908 1.00 0.00 H new ATOM 181 N PRO A 12 -10.104 -0.250 17.501 1.00 0.00 N ATOM 182 CA PRO A 12 -10.299 -0.596 18.914 1.00 0.00 C ATOM 183 C PRO A 12 -11.623 -1.307 19.187 1.00 0.00 C ATOM 184 O PRO A 12 -11.881 -1.732 20.313 1.00 0.00 O ATOM 185 CB PRO A 12 -10.272 0.765 19.610 1.00 0.00 C ATOM 186 CG PRO A 12 -10.765 1.722 18.582 1.00 0.00 C ATOM 187 CD PRO A 12 -10.289 1.194 17.254 1.00 0.00 C ATOM 0 HA PRO A 12 -9.540 -1.296 19.262 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.909 0.771 20.495 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.265 1.022 19.940 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.852 1.793 18.606 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.376 2.724 18.765 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.019 1.376 16.465 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.359 1.670 16.943 1.00 0.00 H new ATOM 195 N VAL A 13 -12.460 -1.440 18.161 1.00 0.00 N ATOM 196 CA VAL A 13 -13.747 -2.104 18.321 1.00 0.00 C ATOM 197 C VAL A 13 -13.559 -3.591 18.591 1.00 0.00 C ATOM 198 O VAL A 13 -14.190 -4.159 19.483 1.00 0.00 O ATOM 199 CB VAL A 13 -14.655 -1.929 17.086 1.00 0.00 C ATOM 200 CG1 VAL A 13 -15.485 -0.661 17.207 1.00 0.00 C ATOM 201 CG2 VAL A 13 -13.846 -1.920 15.796 1.00 0.00 C ATOM 0 H VAL A 13 -12.271 -1.099 17.218 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.234 -1.630 19.174 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.330 -2.784 17.047 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.119 -0.555 16.326 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.109 -0.719 18.099 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.823 0.201 17.283 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.517 -1.795 14.946 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.133 -1.096 15.819 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.308 -2.863 15.697 1.00 0.00 H new ATOM 211 N ASN A 14 -12.683 -4.212 17.815 1.00 0.00 N ATOM 212 CA ASN A 14 -12.397 -5.634 17.963 1.00 0.00 C ATOM 213 C ASN A 14 -10.894 -5.886 18.075 1.00 0.00 C ATOM 214 O ASN A 14 -10.458 -7.024 18.244 1.00 0.00 O ATOM 215 CB ASN A 14 -12.969 -6.415 16.778 1.00 0.00 C ATOM 216 CG ASN A 14 -14.476 -6.287 16.676 1.00 0.00 C ATOM 217 OD1 ASN A 14 -15.204 -6.641 17.602 1.00 0.00 O ATOM 218 ND2 ASN A 14 -14.951 -5.780 15.545 1.00 0.00 N ATOM 0 H ASN A 14 -12.155 -3.752 17.073 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.871 -5.978 18.883 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.513 -6.056 15.855 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.702 -7.467 16.877 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.957 -5.671 15.418 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.310 -5.499 14.803 1.00 0.00 H new ATOM 225 N HIS A 15 -10.102 -4.817 17.980 1.00 0.00 N ATOM 226 CA HIS A 15 -8.651 -4.931 18.072 1.00 0.00 C ATOM 227 C HIS A 15 -8.109 -5.882 17.007 1.00 0.00 C ATOM 228 O HIS A 15 -7.733 -7.016 17.308 1.00 0.00 O ATOM 229 CB HIS A 15 -8.245 -5.420 19.464 1.00 0.00 C ATOM 230 CG HIS A 15 -8.428 -4.390 20.535 1.00 0.00 C ATOM 231 ND1 HIS A 15 -9.325 -3.381 20.652 1.00 0.00 N flip ATOM 232 CD2 HIS A 15 -7.631 -4.325 21.659 1.00 0.00 C flip ATOM 233 CE1 HIS A 15 -9.054 -2.732 21.831 1.00 0.00 C flip ATOM 234 NE2 HIS A 15 -8.030 -3.320 22.420 1.00 0.00 N flip ATOM 0 H HIS A 15 -10.443 -3.866 17.840 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.223 -3.943 17.901 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.832 -6.303 19.716 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.200 -5.728 19.442 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.810 -4.990 21.882 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.592 -1.878 22.215 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.616 -3.046 23.311 1.00 0.00 H new ATOM 243 N GLU A 16 -8.074 -5.416 15.763 1.00 0.00 N ATOM 244 CA GLU A 16 -7.578 -6.228 14.657 1.00 0.00 C ATOM 245 C GLU A 16 -7.389 -5.383 13.401 1.00 0.00 C ATOM 246 O GLU A 16 -8.246 -4.574 13.049 1.00 0.00 O ATOM 247 CB GLU A 16 -8.546 -7.380 14.374 1.00 0.00 C ATOM 248 CG GLU A 16 -7.947 -8.754 14.631 1.00 0.00 C ATOM 249 CD GLU A 16 -8.002 -9.653 13.410 1.00 0.00 C ATOM 250 OE1 GLU A 16 -8.998 -9.578 12.663 1.00 0.00 O ATOM 251 OE2 GLU A 16 -7.047 -10.433 13.204 1.00 0.00 O ATOM 0 H GLU A 16 -8.383 -4.481 15.495 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.609 -6.637 14.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.434 -7.258 14.994 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.872 -7.323 13.335 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.910 -8.641 14.948 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.481 -9.231 15.453 1.00 0.00 H new ATOM 258 N TRP A 17 -6.259 -5.580 12.727 1.00 0.00 N ATOM 259 CA TRP A 17 -5.956 -4.839 11.509 1.00 0.00 C ATOM 260 C TRP A 17 -6.961 -5.166 10.409 1.00 0.00 C ATOM 261 O TRP A 17 -7.287 -6.331 10.179 1.00 0.00 O ATOM 262 CB TRP A 17 -4.537 -5.159 11.031 1.00 0.00 C ATOM 263 CG TRP A 17 -3.520 -5.135 12.130 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.025 -6.209 12.811 1.00 0.00 C ATOM 265 CD2 TRP A 17 -2.872 -3.979 12.674 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.111 -5.791 13.748 1.00 0.00 N ATOM 267 CE2 TRP A 17 -1.999 -4.427 13.683 1.00 0.00 C ATOM 268 CE3 TRP A 17 -2.945 -2.610 12.405 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.207 -3.554 14.423 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.158 -1.744 13.141 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.298 -2.218 14.139 1.00 0.00 C ATOM 0 H TRP A 17 -5.539 -6.247 13.005 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.025 -3.775 11.735 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.532 -6.143 10.563 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.249 -4.440 10.264 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.310 -7.236 12.639 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.599 -6.398 14.388 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.604 -2.235 11.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.544 -3.918 15.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.207 -0.684 12.943 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.695 -1.516 14.696 1.00 0.00 H new ATOM 282 N TYR A 18 -7.450 -4.132 9.735 1.00 0.00 N ATOM 283 CA TYR A 18 -8.420 -4.309 8.659 1.00 0.00 C ATOM 284 C TYR A 18 -8.066 -3.437 7.457 1.00 0.00 C ATOM 285 O TYR A 18 -7.501 -2.354 7.611 1.00 0.00 O ATOM 286 CB TYR A 18 -9.828 -3.975 9.154 1.00 0.00 C ATOM 287 CG TYR A 18 -10.314 -4.887 10.259 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.434 -6.255 10.052 1.00 0.00 C ATOM 289 CD2 TYR A 18 -10.650 -4.380 11.507 1.00 0.00 C ATOM 290 CE1 TYR A 18 -10.877 -7.092 11.058 1.00 0.00 C ATOM 291 CE2 TYR A 18 -11.093 -5.210 12.520 1.00 0.00 C ATOM 292 CZ TYR A 18 -11.205 -6.565 12.289 1.00 0.00 C ATOM 293 OH TYR A 18 -11.647 -7.397 13.293 1.00 0.00 O ATOM 0 H TYR A 18 -7.191 -3.162 9.914 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.392 -5.353 8.346 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.844 -2.945 9.511 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.522 -4.032 8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -10.177 -6.671 9.089 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.564 -3.319 11.690 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.966 -8.154 10.881 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.350 -4.800 13.486 1.00 0.00 H new ATOM 0 HH TYR A 18 -11.245 -8.284 13.184 1.00 0.00 H new ATOM 303 N PRO A 19 -8.394 -3.900 6.238 1.00 0.00 N ATOM 304 CA PRO A 19 -8.106 -3.157 5.007 1.00 0.00 C ATOM 305 C PRO A 19 -8.999 -1.931 4.847 1.00 0.00 C ATOM 306 O PRO A 19 -10.225 -2.036 4.870 1.00 0.00 O ATOM 307 CB PRO A 19 -8.396 -4.176 3.904 1.00 0.00 C ATOM 308 CG PRO A 19 -9.400 -5.100 4.500 1.00 0.00 C ATOM 309 CD PRO A 19 -9.069 -5.183 5.965 1.00 0.00 C ATOM 0 HA PRO A 19 -7.087 -2.770 4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.786 -3.691 3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.492 -4.709 3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.413 -4.726 4.349 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.351 -6.083 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.966 -5.302 6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.421 -6.032 6.183 1.00 0.00 H new ATOM 317 N HIS A 20 -8.375 -0.769 4.683 1.00 0.00 N ATOM 318 CA HIS A 20 -9.112 0.479 4.516 1.00 0.00 C ATOM 319 C HIS A 20 -8.436 1.376 3.485 1.00 0.00 C ATOM 320 O HIS A 20 -7.343 1.891 3.716 1.00 0.00 O ATOM 321 CB HIS A 20 -9.224 1.211 5.854 1.00 0.00 C ATOM 322 CG HIS A 20 -10.506 0.944 6.579 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.291 -0.166 6.337 1.00 0.00 N ATOM 324 CD2 HIS A 20 -11.144 1.648 7.544 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.353 -0.133 7.122 1.00 0.00 C ATOM 326 NE2 HIS A 20 -12.287 0.957 7.864 1.00 0.00 N ATOM 0 H HIS A 20 -7.360 -0.665 4.662 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.113 0.237 4.158 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.389 0.917 6.490 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.131 2.283 5.681 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.083 -0.898 5.658 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.815 2.579 7.981 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.141 -0.871 7.152 1.00 0.00 H new ATOM 335 N TYR A 21 -9.095 1.555 2.344 1.00 0.00 N ATOM 336 CA TYR A 21 -8.563 2.389 1.271 1.00 0.00 C ATOM 337 C TYR A 21 -8.222 3.788 1.779 1.00 0.00 C ATOM 338 O TYR A 21 -9.110 4.567 2.126 1.00 0.00 O ATOM 339 CB TYR A 21 -9.573 2.483 0.126 1.00 0.00 C ATOM 340 CG TYR A 21 -9.012 3.110 -1.132 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.336 2.342 -2.072 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.162 4.469 -1.378 1.00 0.00 C ATOM 343 CE1 TYR A 21 -7.824 2.911 -3.222 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.652 5.045 -2.527 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.985 4.263 -3.445 1.00 0.00 C ATOM 346 OH TYR A 21 -7.476 4.833 -4.590 1.00 0.00 O ATOM 0 H TYR A 21 -10.000 1.133 2.138 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.647 1.925 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.937 1.483 -0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.433 3.065 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.209 1.283 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.685 5.085 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.300 2.301 -3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.776 6.103 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.542 5.089 -4.441 1.00 0.00 H new ATOM 356 N PHE A 22 -6.931 4.097 1.821 1.00 0.00 N ATOM 357 CA PHE A 22 -6.469 5.400 2.287 1.00 0.00 C ATOM 358 C PHE A 22 -5.925 6.228 1.129 1.00 0.00 C ATOM 359 O PHE A 22 -5.501 5.683 0.110 1.00 0.00 O ATOM 360 CB PHE A 22 -5.386 5.225 3.355 1.00 0.00 C ATOM 361 CG PHE A 22 -5.920 5.144 4.758 1.00 0.00 C ATOM 362 CD1 PHE A 22 -7.139 4.537 5.021 1.00 0.00 C ATOM 363 CD2 PHE A 22 -5.198 5.673 5.816 1.00 0.00 C ATOM 364 CE1 PHE A 22 -7.626 4.460 6.311 1.00 0.00 C ATOM 365 CE2 PHE A 22 -5.681 5.598 7.108 1.00 0.00 C ATOM 366 CZ PHE A 22 -6.897 4.992 7.357 1.00 0.00 C ATOM 0 H PHE A 22 -6.184 3.462 1.538 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.319 5.927 2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.820 4.319 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.688 6.060 3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.714 4.120 4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.247 6.149 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.576 3.984 6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.108 6.013 7.924 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.277 4.934 8.366 1.00 0.00 H new ATOM 376 N VAL A 23 -5.940 7.548 1.290 1.00 0.00 N ATOM 377 CA VAL A 23 -5.446 8.449 0.256 1.00 0.00 C ATOM 378 C VAL A 23 -4.708 9.634 0.867 1.00 0.00 C ATOM 379 O VAL A 23 -5.316 10.650 1.205 1.00 0.00 O ATOM 380 CB VAL A 23 -6.592 8.973 -0.631 1.00 0.00 C ATOM 381 CG1 VAL A 23 -6.044 9.772 -1.804 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.458 7.820 -1.117 1.00 0.00 C ATOM 0 H VAL A 23 -6.289 8.016 2.126 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.756 7.873 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.214 9.639 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.870 10.132 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.472 10.621 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.396 9.136 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.263 8.208 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.849 7.127 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.884 7.298 -0.260 1.00 0.00 H new ATOM 392 N LEU A 24 -3.394 9.496 1.008 1.00 0.00 N ATOM 393 CA LEU A 24 -2.569 10.556 1.581 1.00 0.00 C ATOM 394 C LEU A 24 -2.350 11.679 0.575 1.00 0.00 C ATOM 395 O LEU A 24 -1.761 11.471 -0.487 1.00 0.00 O ATOM 396 CB LEU A 24 -1.221 9.991 2.035 1.00 0.00 C ATOM 397 CG LEU A 24 -0.295 11.001 2.718 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.718 11.221 4.162 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.149 10.530 2.648 1.00 0.00 C ATOM 0 H LEU A 24 -2.876 8.661 0.734 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.094 10.965 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.403 9.165 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.706 9.577 1.168 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.372 11.952 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.049 11.942 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.738 11.603 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.671 10.276 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.794 11.259 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.243 9.567 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.447 10.425 1.605 1.00 0.00 H new ATOM 411 N THR A 25 -2.827 12.873 0.917 1.00 0.00 N ATOM 412 CA THR A 25 -2.686 14.035 0.046 1.00 0.00 C ATOM 413 C THR A 25 -1.498 14.894 0.469 1.00 0.00 C ATOM 414 O THR A 25 -1.085 14.876 1.628 1.00 0.00 O ATOM 415 CB THR A 25 -3.968 14.868 0.058 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.081 15.598 1.266 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.224 14.039 -0.097 1.00 0.00 C ATOM 0 H THR A 25 -3.315 13.061 1.793 1.00 0.00 H new ATOM 0 HA THR A 25 -2.506 13.677 -0.968 1.00 0.00 H new ATOM 0 HB THR A 25 -3.885 15.535 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.064 16.558 1.071 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.096 14.693 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.191 13.503 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.291 13.323 0.722 1.00 0.00 H new ATOM 425 N SER A 26 -0.952 15.641 -0.486 1.00 0.00 N ATOM 426 CA SER A 26 0.196 16.506 -0.232 1.00 0.00 C ATOM 427 C SER A 26 -0.041 17.437 0.954 1.00 0.00 C ATOM 428 O SER A 26 0.909 17.901 1.585 1.00 0.00 O ATOM 429 CB SER A 26 0.519 17.331 -1.478 1.00 0.00 C ATOM 430 OG SER A 26 -0.414 18.384 -1.649 1.00 0.00 O ATOM 0 H SER A 26 -1.289 15.664 -1.449 1.00 0.00 H new ATOM 0 HA SER A 26 1.041 15.862 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.525 17.742 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.510 16.687 -2.357 1.00 0.00 H new ATOM 0 HG SER A 26 -0.184 18.897 -2.452 1.00 0.00 H new ATOM 436 N SER A 27 -1.305 17.721 1.252 1.00 0.00 N ATOM 437 CA SER A 27 -1.634 18.610 2.362 1.00 0.00 C ATOM 438 C SER A 27 -2.858 18.123 3.132 1.00 0.00 C ATOM 439 O SER A 27 -3.674 18.925 3.585 1.00 0.00 O ATOM 440 CB SER A 27 -1.878 20.029 1.845 1.00 0.00 C ATOM 441 OG SER A 27 -1.257 20.229 0.588 1.00 0.00 O ATOM 0 H SER A 27 -2.111 17.353 0.747 1.00 0.00 H new ATOM 0 HA SER A 27 -0.786 18.611 3.046 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.950 20.208 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.492 20.752 2.564 1.00 0.00 H new ATOM 0 HG SER A 27 -1.430 21.143 0.280 1.00 0.00 H new ATOM 447 N LYS A 28 -2.982 16.807 3.288 1.00 0.00 N ATOM 448 CA LYS A 28 -4.111 16.234 4.016 1.00 0.00 C ATOM 449 C LYS A 28 -4.132 14.713 3.902 1.00 0.00 C ATOM 450 O LYS A 28 -3.363 14.125 3.142 1.00 0.00 O ATOM 451 CB LYS A 28 -5.433 16.814 3.499 1.00 0.00 C ATOM 452 CG LYS A 28 -6.196 17.611 4.544 1.00 0.00 C ATOM 453 CD LYS A 28 -6.733 18.912 3.972 1.00 0.00 C ATOM 454 CE LYS A 28 -7.809 19.512 4.862 1.00 0.00 C ATOM 455 NZ LYS A 28 -7.673 20.990 4.979 1.00 0.00 N ATOM 0 H LYS A 28 -2.320 16.122 2.923 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.992 16.496 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.228 17.456 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.064 15.999 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.023 17.013 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.541 17.827 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.916 19.624 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.141 18.732 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.792 19.269 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.752 19.063 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.425 21.360 5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.746 21.222 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.753 21.422 4.036 1.00 0.00 H new ATOM 469 N ILE A 29 -5.022 14.086 4.665 1.00 0.00 N ATOM 470 CA ILE A 29 -5.157 12.634 4.659 1.00 0.00 C ATOM 471 C ILE A 29 -6.628 12.233 4.590 1.00 0.00 C ATOM 472 O ILE A 29 -7.404 12.530 5.497 1.00 0.00 O ATOM 473 CB ILE A 29 -4.523 11.997 5.911 1.00 0.00 C ATOM 474 CG1 ILE A 29 -3.276 12.780 6.339 1.00 0.00 C ATOM 475 CG2 ILE A 29 -4.176 10.538 5.643 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.540 12.160 7.507 1.00 0.00 C ATOM 0 H ILE A 29 -5.663 14.564 5.298 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.631 12.268 3.777 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.246 12.036 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.596 12.855 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.569 13.796 6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.729 10.100 6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.082 9.990 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.468 10.478 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.670 12.769 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.204 12.110 8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.216 11.154 7.240 1.00 0.00 H new ATOM 488 N TYR A 30 -7.005 11.562 3.505 1.00 0.00 N ATOM 489 CA TYR A 30 -8.385 11.130 3.321 1.00 0.00 C ATOM 490 C TYR A 30 -8.578 9.685 3.769 1.00 0.00 C ATOM 491 O TYR A 30 -7.715 8.834 3.552 1.00 0.00 O ATOM 492 CB TYR A 30 -8.794 11.279 1.854 1.00 0.00 C ATOM 493 CG TYR A 30 -9.081 12.706 1.447 1.00 0.00 C ATOM 494 CD1 TYR A 30 -10.005 13.474 2.143 1.00 0.00 C ATOM 495 CD2 TYR A 30 -8.428 13.285 0.366 1.00 0.00 C ATOM 496 CE1 TYR A 30 -10.272 14.778 1.774 1.00 0.00 C ATOM 497 CE2 TYR A 30 -8.689 14.589 -0.010 1.00 0.00 C ATOM 498 CZ TYR A 30 -9.612 15.331 0.698 1.00 0.00 C ATOM 499 OH TYR A 30 -9.873 16.631 0.327 1.00 0.00 O ATOM 0 H TYR A 30 -6.376 11.307 2.743 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.019 11.765 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.999 10.883 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.680 10.672 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.524 13.044 2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.705 12.707 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.994 15.361 2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.174 15.025 -0.853 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.323 16.866 -0.449 1.00 0.00 H new ATOM 509 N TYR A 31 -9.720 9.417 4.394 1.00 0.00 N ATOM 510 CA TYR A 31 -10.039 8.078 4.876 1.00 0.00 C ATOM 511 C TYR A 31 -11.305 7.550 4.206 1.00 0.00 C ATOM 512 O TYR A 31 -12.358 8.186 4.262 1.00 0.00 O ATOM 513 CB TYR A 31 -10.220 8.088 6.394 1.00 0.00 C ATOM 514 CG TYR A 31 -8.945 8.363 7.159 1.00 0.00 C ATOM 515 CD1 TYR A 31 -8.239 9.544 6.967 1.00 0.00 C ATOM 516 CD2 TYR A 31 -8.450 7.443 8.073 1.00 0.00 C ATOM 517 CE1 TYR A 31 -7.073 9.798 7.664 1.00 0.00 C ATOM 518 CE2 TYR A 31 -7.285 7.691 8.775 1.00 0.00 C ATOM 519 CZ TYR A 31 -6.601 8.869 8.566 1.00 0.00 C ATOM 520 OH TYR A 31 -5.442 9.118 9.264 1.00 0.00 O ATOM 0 H TYR A 31 -10.443 10.113 4.579 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.209 7.419 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.961 8.843 6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.621 7.125 6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.607 10.275 6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.983 6.519 8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.534 10.720 7.503 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.913 6.966 9.483 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.340 10.084 9.394 1.00 0.00 H new ATOM 530 N SER A 32 -11.197 6.386 3.574 1.00 0.00 N ATOM 531 CA SER A 32 -12.337 5.777 2.895 1.00 0.00 C ATOM 532 C SER A 32 -12.475 4.307 3.279 1.00 0.00 C ATOM 533 O SER A 32 -11.721 3.797 4.107 1.00 0.00 O ATOM 534 CB SER A 32 -12.180 5.909 1.379 1.00 0.00 C ATOM 535 OG SER A 32 -12.510 7.217 0.944 1.00 0.00 O ATOM 0 H SER A 32 -10.334 5.846 3.517 1.00 0.00 H new ATOM 0 HA SER A 32 -13.240 6.301 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.154 5.676 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.822 5.183 0.879 1.00 0.00 H new ATOM 0 HG SER A 32 -12.400 7.276 -0.028 1.00 0.00 H new ATOM 1396 N GLY A 91 -13.135 9.865 6.683 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.361 10.662 7.616 1.00 0.00 C ATOM 1398 C GLY A 91 -11.448 11.653 6.919 1.00 0.00 C ATOM 1399 O GLY A 91 -11.252 11.579 5.705 1.00 0.00 O ATOM 0 HA2 GLY A 91 -13.039 11.201 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.763 10.001 8.243 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.888 12.580 7.688 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.991 13.591 7.140 1.00 0.00 C ATOM 1405 C VAL A 92 -9.097 14.177 8.228 1.00 0.00 C ATOM 1406 O VAL A 92 -9.566 14.520 9.313 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.778 14.730 6.460 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -11.675 15.438 7.464 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -9.828 15.714 5.794 1.00 0.00 C ATOM 0 H VAL A 92 -11.040 12.652 8.694 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.370 13.096 6.393 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.413 14.295 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.221 16.238 6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.383 14.724 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.065 15.860 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.402 16.510 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.164 16.143 6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.236 15.195 5.040 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.805 14.287 7.932 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.846 14.830 8.888 1.00 0.00 C ATOM 1421 C LEU A 93 -5.742 15.603 8.172 1.00 0.00 C ATOM 1422 O LEU A 93 -5.435 15.334 7.011 1.00 0.00 O ATOM 1423 CB LEU A 93 -6.237 13.704 9.725 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.792 14.113 11.132 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.179 13.048 12.148 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.291 14.362 11.164 1.00 0.00 C ATOM 0 H LEU A 93 -7.399 14.008 7.039 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.376 15.517 9.547 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.967 12.899 9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.377 13.299 9.191 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.301 15.039 11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.854 13.358 13.141 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.261 12.918 12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.699 12.105 11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.992 14.652 12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.765 13.452 10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.040 15.161 10.467 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.151 16.565 8.875 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.082 17.378 8.307 1.00 0.00 C ATOM 1440 C ASP A 94 -2.734 16.671 8.433 1.00 0.00 C ATOM 1441 O ASP A 94 -2.422 16.090 9.473 1.00 0.00 O ATOM 1442 CB ASP A 94 -4.028 18.742 9.001 1.00 0.00 C ATOM 1443 CG ASP A 94 -4.316 19.887 8.048 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -5.361 19.842 7.366 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -3.497 20.827 7.985 1.00 0.00 O ATOM 0 H ASP A 94 -5.394 16.800 9.837 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.293 17.526 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.751 18.761 9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.043 18.882 9.446 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.941 16.728 7.369 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.628 16.094 7.358 1.00 0.00 C ATOM 1452 C VAL A 95 0.453 16.972 8.001 1.00 0.00 C ATOM 1453 O VAL A 95 1.435 16.449 8.529 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.191 15.719 5.927 1.00 0.00 C ATOM 1455 CG1 VAL A 95 0.013 16.964 5.077 1.00 0.00 C ATOM 1456 CG2 VAL A 95 1.072 14.874 5.960 1.00 0.00 C ATOM 0 H VAL A 95 -2.185 17.207 6.502 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.732 15.187 7.953 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.986 15.129 5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.321 16.673 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.920 17.524 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.785 17.589 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.366 14.619 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.874 15.436 6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.884 13.960 6.523 1.00 0.00 H new ATOM 1466 N PRO A 96 0.309 18.316 7.972 1.00 0.00 N ATOM 1467 CA PRO A 96 1.300 19.216 8.560 1.00 0.00 C ATOM 1468 C PRO A 96 1.088 19.424 10.056 1.00 0.00 C ATOM 1469 O PRO A 96 1.057 20.557 10.538 1.00 0.00 O ATOM 1470 CB PRO A 96 1.065 20.515 7.798 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.394 20.514 7.494 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.812 19.068 7.370 1.00 0.00 C ATOM 0 HA PRO A 96 2.315 18.826 8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.345 21.382 8.397 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.660 20.553 6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.954 21.012 8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.597 21.056 6.570 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.748 18.877 7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.968 18.786 6.329 1.00 0.00 H new ATOM 1480 N ALA A 97 0.940 18.323 10.785 1.00 0.00 N ATOM 1481 CA ALA A 97 0.730 18.378 12.228 1.00 0.00 C ATOM 1482 C ALA A 97 0.551 16.979 12.807 1.00 0.00 C ATOM 1483 O ALA A 97 -0.272 16.765 13.697 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.477 19.247 12.557 1.00 0.00 C ATOM 0 H ALA A 97 0.962 17.379 10.399 1.00 0.00 H new ATOM 0 HA ALA A 97 1.615 18.823 12.682 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.620 19.277 13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.310 20.258 12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.366 18.829 12.085 1.00 0.00 H new ATOM 1490 N CYS A 98 1.324 16.027 12.292 1.00 0.00 N ATOM 1491 CA CYS A 98 1.247 14.647 12.756 1.00 0.00 C ATOM 1492 C CYS A 98 2.547 13.901 12.468 1.00 0.00 C ATOM 1493 O CYS A 98 2.760 13.412 11.359 1.00 0.00 O ATOM 1494 CB CYS A 98 0.071 13.930 12.086 1.00 0.00 C ATOM 1495 SG CYS A 98 -1.210 13.378 13.238 1.00 0.00 S ATOM 0 H CYS A 98 2.010 16.187 11.554 1.00 0.00 H new ATOM 0 HA CYS A 98 1.091 14.659 13.835 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.379 14.599 11.353 1.00 0.00 H new ATOM 0 HB3 CYS A 98 0.450 13.066 11.539 1.00 0.00 H new ATOM 0 HG CYS A 98 -2.161 12.786 12.578 1.00 0.00 H new ATOM 1501 N GLN A 99 3.412 13.816 13.473 1.00 0.00 N ATOM 1502 CA GLN A 99 4.689 13.126 13.327 1.00 0.00 C ATOM 1503 C GLN A 99 4.504 11.615 13.427 1.00 0.00 C ATOM 1504 O GLN A 99 3.778 11.125 14.292 1.00 0.00 O ATOM 1505 CB GLN A 99 5.679 13.605 14.390 1.00 0.00 C ATOM 1506 CG GLN A 99 5.276 13.236 15.810 1.00 0.00 C ATOM 1507 CD GLN A 99 6.319 13.637 16.834 1.00 0.00 C ATOM 1508 OE1 GLN A 99 6.180 14.656 17.514 1.00 0.00 O ATOM 1509 NE2 GLN A 99 7.372 12.837 16.952 1.00 0.00 N ATOM 0 H GLN A 99 3.252 14.216 14.398 1.00 0.00 H new ATOM 0 HA GLN A 99 5.089 13.360 12.341 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.660 13.180 14.178 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.779 14.688 14.320 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.329 13.719 16.052 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.109 12.160 15.869 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.447 12.003 16.369 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.106 13.056 17.626 1.00 0.00 H new ATOM 1518 N ILE A 100 5.166 10.883 12.538 1.00 0.00 N ATOM 1519 CA ILE A 100 5.072 9.428 12.525 1.00 0.00 C ATOM 1520 C ILE A 100 6.104 8.801 13.457 1.00 0.00 C ATOM 1521 O ILE A 100 7.087 9.439 13.829 1.00 0.00 O ATOM 1522 CB ILE A 100 5.273 8.861 11.106 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.554 9.734 10.072 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.777 7.426 11.033 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.047 9.698 10.190 1.00 0.00 C ATOM 0 H ILE A 100 5.773 11.273 11.817 1.00 0.00 H new ATOM 0 HA ILE A 100 4.070 9.176 12.871 1.00 0.00 H new ATOM 0 HB ILE A 100 6.339 8.868 10.878 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.894 10.764 10.180 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.839 9.407 9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.926 7.040 10.024 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.333 6.812 11.742 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.716 7.395 11.280 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.607 10.339 9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.696 8.675 10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.751 10.053 11.177 1.00 0.00 H new ATOM 1537 N ALA A 101 5.873 7.544 13.826 1.00 0.00 N ATOM 1538 CA ALA A 101 6.782 6.827 14.711 1.00 0.00 C ATOM 1539 C ALA A 101 6.765 5.332 14.415 1.00 0.00 C ATOM 1540 O ALA A 101 5.900 4.603 14.901 1.00 0.00 O ATOM 1541 CB ALA A 101 6.416 7.086 16.165 1.00 0.00 C ATOM 0 H ALA A 101 5.063 7.002 13.525 1.00 0.00 H new ATOM 0 HA ALA A 101 7.793 7.195 14.533 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.103 6.544 16.815 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.485 8.154 16.373 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.397 6.746 16.350 1.00 0.00 H new ATOM 1547 N ILE A 102 7.724 4.879 13.614 1.00 0.00 N ATOM 1548 CA ILE A 102 7.815 3.470 13.253 1.00 0.00 C ATOM 1549 C ILE A 102 8.020 2.596 14.485 1.00 0.00 C ATOM 1550 O ILE A 102 8.624 3.019 15.471 1.00 0.00 O ATOM 1551 CB ILE A 102 8.966 3.213 12.257 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.760 4.039 10.987 1.00 0.00 C ATOM 1553 CG2 ILE A 102 9.064 1.729 11.921 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.993 4.120 10.112 1.00 0.00 C ATOM 0 H ILE A 102 8.449 5.468 13.203 1.00 0.00 H new ATOM 0 HA ILE A 102 6.870 3.208 12.778 1.00 0.00 H new ATOM 0 HB ILE A 102 9.903 3.519 12.723 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.943 3.606 10.410 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.455 5.048 11.265 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.881 1.568 11.218 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.253 1.161 12.832 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.128 1.395 11.473 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.774 4.721 9.229 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.807 4.581 10.672 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.287 3.117 9.804 1.00 0.00 H new ATOM 1566 N ARG A 103 7.518 1.368 14.414 1.00 0.00 N ATOM 1567 CA ARG A 103 7.645 0.419 15.510 1.00 0.00 C ATOM 1568 C ARG A 103 7.961 -0.975 14.970 1.00 0.00 C ATOM 1569 O ARG A 103 7.214 -1.508 14.151 1.00 0.00 O ATOM 1570 CB ARG A 103 6.357 0.380 16.334 1.00 0.00 C ATOM 1571 CG ARG A 103 5.988 1.721 16.950 1.00 0.00 C ATOM 1572 CD ARG A 103 4.931 1.563 18.031 1.00 0.00 C ATOM 1573 NE ARG A 103 5.426 0.802 19.175 1.00 0.00 N ATOM 1574 CZ ARG A 103 4.649 0.343 20.154 1.00 0.00 C ATOM 1575 NH1 ARG A 103 3.341 0.567 20.132 1.00 0.00 N ATOM 1576 NH2 ARG A 103 5.181 -0.340 21.158 1.00 0.00 N ATOM 0 H ARG A 103 7.017 1.006 13.603 1.00 0.00 H new ATOM 0 HA ARG A 103 8.463 0.743 16.153 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.538 0.044 15.698 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.466 -0.358 17.129 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.878 2.185 17.375 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.619 2.391 16.173 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.604 2.548 18.365 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.058 1.062 17.613 1.00 0.00 H new ATOM 0 HE ARG A 103 6.427 0.611 19.227 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.927 1.093 19.363 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.750 0.213 20.884 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.186 -0.514 21.181 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.586 -0.691 21.908 1.00 0.00 H new ATOM 1590 N PRO A 104 9.077 -1.589 15.411 1.00 0.00 N ATOM 1591 CA PRO A 104 9.478 -2.922 14.952 1.00 0.00 C ATOM 1592 C PRO A 104 8.618 -4.042 15.543 1.00 0.00 C ATOM 1593 O PRO A 104 8.962 -5.219 15.431 1.00 0.00 O ATOM 1594 CB PRO A 104 10.932 -3.061 15.439 1.00 0.00 C ATOM 1595 CG PRO A 104 11.318 -1.720 15.977 1.00 0.00 C ATOM 1596 CD PRO A 104 10.041 -1.041 16.372 1.00 0.00 C ATOM 0 HA PRO A 104 9.362 -3.015 13.872 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.014 -3.828 16.209 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.590 -3.358 14.622 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.985 -1.822 16.833 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.851 -1.138 15.225 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.762 -1.269 17.401 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.118 0.044 16.295 1.00 0.00 H new ATOM 1604 N GLU A 105 7.503 -3.678 16.172 1.00 0.00 N ATOM 1605 CA GLU A 105 6.607 -4.658 16.773 1.00 0.00 C ATOM 1606 C GLU A 105 5.221 -4.058 16.986 1.00 0.00 C ATOM 1607 O GLU A 105 4.788 -3.845 18.117 1.00 0.00 O ATOM 1608 CB GLU A 105 7.178 -5.152 18.104 1.00 0.00 C ATOM 1609 CG GLU A 105 6.971 -6.641 18.339 1.00 0.00 C ATOM 1610 CD GLU A 105 5.748 -6.932 19.186 1.00 0.00 C ATOM 1611 OE1 GLU A 105 4.852 -6.063 19.252 1.00 0.00 O ATOM 1612 OE2 GLU A 105 5.685 -8.027 19.782 1.00 0.00 O ATOM 0 H GLU A 105 7.200 -2.710 16.278 1.00 0.00 H new ATOM 0 HA GLU A 105 6.517 -5.505 16.092 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.245 -4.932 18.136 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.713 -4.596 18.918 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.872 -7.147 17.378 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.854 -7.054 18.827 1.00 0.00 H new ATOM 1619 N GLY A 106 4.532 -3.780 15.883 1.00 0.00 N ATOM 1620 CA GLY A 106 3.203 -3.198 15.955 1.00 0.00 C ATOM 1621 C GLY A 106 2.301 -3.895 16.954 1.00 0.00 C ATOM 1622 O GLY A 106 2.237 -3.505 18.120 1.00 0.00 O ATOM 0 H GLY A 106 4.872 -3.948 14.936 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.288 -2.145 16.224 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.742 -3.238 14.968 1.00 0.00 H new ATOM 1626 N LYS A 107 1.598 -4.927 16.497 1.00 0.00 N ATOM 1627 CA LYS A 107 0.691 -5.670 17.363 1.00 0.00 C ATOM 1628 C LYS A 107 0.100 -6.876 16.639 1.00 0.00 C ATOM 1629 O LYS A 107 0.132 -6.953 15.410 1.00 0.00 O ATOM 1630 CB LYS A 107 -0.435 -4.757 17.852 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.867 -5.030 19.281 1.00 0.00 C ATOM 1632 CD LYS A 107 -2.139 -4.275 19.628 1.00 0.00 C ATOM 1633 CE LYS A 107 -1.836 -2.984 20.370 1.00 0.00 C ATOM 1634 NZ LYS A 107 -1.102 -3.234 21.641 1.00 0.00 N ATOM 0 H LYS A 107 1.639 -5.266 15.536 1.00 0.00 H new ATOM 0 HA LYS A 107 1.263 -6.031 18.218 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.110 -3.720 17.772 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.296 -4.873 17.194 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.028 -6.099 19.416 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.071 -4.739 19.966 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.690 -4.050 18.715 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.782 -4.906 20.241 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.244 -2.329 19.731 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.768 -2.462 20.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.381 -2.525 22.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.333 -4.185 21.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.078 -3.167 21.470 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.443 -7.813 17.410 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.050 -9.017 16.852 1.00 0.00 C ATOM 1650 C ASN A 108 -0.039 -9.813 16.027 1.00 0.00 C ATOM 1651 O ASN A 108 0.584 -10.747 16.528 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.267 -8.651 15.996 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.576 -8.979 16.687 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -4.032 -10.121 16.671 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -4.191 -7.971 17.298 1.00 0.00 N ATOM 0 H ASN A 108 -0.475 -7.761 18.428 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.378 -9.645 17.680 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.238 -7.586 15.764 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.215 -9.186 15.048 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.077 -8.130 17.778 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.777 -7.039 17.287 1.00 0.00 H new ATOM 1662 N ASN A 109 0.117 -9.438 14.761 1.00 0.00 N ATOM 1663 CA ASN A 109 1.050 -10.119 13.873 1.00 0.00 C ATOM 1664 C ASN A 109 1.632 -9.152 12.847 1.00 0.00 C ATOM 1665 O ASN A 109 1.944 -9.539 11.721 1.00 0.00 O ATOM 1666 CB ASN A 109 0.353 -11.279 13.160 1.00 0.00 C ATOM 1667 CG ASN A 109 0.304 -12.534 14.009 1.00 0.00 C ATOM 1668 OD1 ASN A 109 1.321 -12.979 14.539 1.00 0.00 O ATOM 1669 ND2 ASN A 109 -0.885 -13.113 14.142 1.00 0.00 N ATOM 0 H ASN A 109 -0.391 -8.667 14.328 1.00 0.00 H new ATOM 0 HA ASN A 109 1.867 -10.511 14.478 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.662 -10.982 12.896 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.875 -11.495 12.227 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -0.980 -13.961 14.701 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.703 -12.710 13.685 1.00 0.00 H new ATOM 1676 N ARG A 110 1.776 -7.893 13.245 1.00 0.00 N ATOM 1677 CA ARG A 110 2.323 -6.869 12.363 1.00 0.00 C ATOM 1678 C ARG A 110 3.650 -6.343 12.901 1.00 0.00 C ATOM 1679 O ARG A 110 3.679 -5.440 13.735 1.00 0.00 O ATOM 1680 CB ARG A 110 1.328 -5.718 12.205 1.00 0.00 C ATOM 1681 CG ARG A 110 0.026 -6.127 11.540 1.00 0.00 C ATOM 1682 CD ARG A 110 0.233 -6.477 10.075 1.00 0.00 C ATOM 1683 NE ARG A 110 -1.019 -6.838 9.415 1.00 0.00 N ATOM 1684 CZ ARG A 110 -1.165 -6.915 8.093 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -0.142 -6.656 7.289 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -2.339 -7.251 7.577 1.00 0.00 N ATOM 0 H ARG A 110 1.521 -7.557 14.174 1.00 0.00 H new ATOM 0 HA ARG A 110 2.501 -7.320 11.387 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.109 -5.301 13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.792 -4.925 11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.397 -6.984 12.063 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.696 -5.315 11.622 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.682 -5.628 9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.936 -7.306 9.996 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.829 -7.043 10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.763 -6.396 7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.260 -6.717 6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.128 -7.450 8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.453 -7.311 6.565 1.00 0.00 H new ATOM 1700 N LEU A 111 4.746 -6.920 12.418 1.00 0.00 N ATOM 1701 CA LEU A 111 6.078 -6.513 12.851 1.00 0.00 C ATOM 1702 C LEU A 111 6.402 -5.101 12.376 1.00 0.00 C ATOM 1703 O LEU A 111 7.171 -4.382 13.016 1.00 0.00 O ATOM 1704 CB LEU A 111 7.128 -7.493 12.323 1.00 0.00 C ATOM 1705 CG LEU A 111 6.787 -8.974 12.512 1.00 0.00 C ATOM 1706 CD1 LEU A 111 7.204 -9.780 11.292 1.00 0.00 C ATOM 1707 CD2 LEU A 111 7.453 -9.517 13.767 1.00 0.00 C ATOM 0 H LEU A 111 4.738 -7.670 11.727 1.00 0.00 H new ATOM 0 HA LEU A 111 6.095 -6.521 13.941 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.278 -7.303 11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.076 -7.288 12.820 1.00 0.00 H new ATOM 0 HG LEU A 111 5.707 -9.066 12.628 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.953 -10.829 11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.679 -9.407 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.279 -9.682 11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.200 -10.571 13.886 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.534 -9.411 13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.102 -8.959 14.635 1.00 0.00 H new ATOM 1719 N PHE A 112 5.815 -4.707 11.251 1.00 0.00 N ATOM 1720 CA PHE A 112 6.047 -3.380 10.693 1.00 0.00 C ATOM 1721 C PHE A 112 4.810 -2.499 10.839 1.00 0.00 C ATOM 1722 O PHE A 112 3.865 -2.601 10.058 1.00 0.00 O ATOM 1723 CB PHE A 112 6.440 -3.483 9.218 1.00 0.00 C ATOM 1724 CG PHE A 112 7.620 -4.382 8.974 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.802 -4.199 9.674 1.00 0.00 C ATOM 1726 CD2 PHE A 112 7.546 -5.407 8.046 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.888 -5.024 9.451 1.00 0.00 C ATOM 1728 CE2 PHE A 112 8.629 -6.235 7.818 1.00 0.00 C ATOM 1729 CZ PHE A 112 9.802 -6.043 8.522 1.00 0.00 C ATOM 0 H PHE A 112 5.176 -5.287 10.708 1.00 0.00 H new ATOM 0 HA PHE A 112 6.864 -2.922 11.250 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.588 -3.852 8.648 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.668 -2.486 8.840 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.875 -3.404 10.401 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.631 -5.561 7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.804 -4.872 10.003 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.558 -7.030 7.091 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.650 -6.688 8.347 1.00 0.00 H new ATOM 1739 N VAL A 113 4.829 -1.631 11.845 1.00 0.00 N ATOM 1740 CA VAL A 113 3.714 -0.727 12.099 1.00 0.00 C ATOM 1741 C VAL A 113 4.214 0.603 12.652 1.00 0.00 C ATOM 1742 O VAL A 113 4.961 0.638 13.629 1.00 0.00 O ATOM 1743 CB VAL A 113 2.705 -1.339 13.089 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.498 -0.428 13.263 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.272 -2.722 12.622 1.00 0.00 C ATOM 0 H VAL A 113 5.606 -1.535 12.499 1.00 0.00 H new ATOM 0 HA VAL A 113 3.212 -0.561 11.146 1.00 0.00 H new ATOM 0 HB VAL A 113 3.195 -1.440 14.057 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.799 -0.881 13.966 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.824 0.539 13.647 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.005 -0.289 12.301 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.559 -3.140 13.333 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.803 -2.644 11.641 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.143 -3.373 12.557 1.00 0.00 H new ATOM 1755 N PHE A 114 3.802 1.697 12.019 1.00 0.00 N ATOM 1756 CA PHE A 114 4.215 3.027 12.450 1.00 0.00 C ATOM 1757 C PHE A 114 3.055 3.780 13.091 1.00 0.00 C ATOM 1758 O PHE A 114 1.998 3.947 12.484 1.00 0.00 O ATOM 1759 CB PHE A 114 4.765 3.824 11.266 1.00 0.00 C ATOM 1760 CG PHE A 114 3.839 3.863 10.083 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.827 2.829 9.160 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.979 4.933 9.896 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.976 2.863 8.071 1.00 0.00 C ATOM 1764 CE2 PHE A 114 2.126 4.972 8.808 1.00 0.00 C ATOM 1765 CZ PHE A 114 2.125 3.936 7.895 1.00 0.00 C ATOM 0 H PHE A 114 3.184 1.688 11.208 1.00 0.00 H new ATOM 0 HA PHE A 114 5.001 2.909 13.196 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.970 4.844 11.590 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.716 3.390 10.958 1.00 0.00 H new ATOM 0 HD1 PHE A 114 4.490 1.987 9.293 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.975 5.745 10.608 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.977 2.051 7.359 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.461 5.812 8.673 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.460 3.965 7.045 1.00 0.00 H new ATOM 1775 N SER A 115 3.263 4.235 14.323 1.00 0.00 N ATOM 1776 CA SER A 115 2.238 4.974 15.047 1.00 0.00 C ATOM 1777 C SER A 115 2.429 6.476 14.867 1.00 0.00 C ATOM 1778 O SER A 115 3.526 6.999 15.063 1.00 0.00 O ATOM 1779 CB SER A 115 2.274 4.617 16.534 1.00 0.00 C ATOM 1780 OG SER A 115 1.419 5.463 17.283 1.00 0.00 O ATOM 0 H SER A 115 4.133 4.104 14.840 1.00 0.00 H new ATOM 0 HA SER A 115 1.266 4.696 14.640 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.972 3.578 16.669 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.294 4.704 16.907 1.00 0.00 H new ATOM 0 HG SER A 115 0.640 5.705 16.739 1.00 0.00 H new ATOM 1786 N ILE A 116 1.358 7.163 14.490 1.00 0.00 N ATOM 1787 CA ILE A 116 1.411 8.604 14.280 1.00 0.00 C ATOM 1788 C ILE A 116 0.994 9.358 15.539 1.00 0.00 C ATOM 1789 O ILE A 116 0.333 8.805 16.416 1.00 0.00 O ATOM 1790 CB ILE A 116 0.505 9.041 13.113 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.635 8.067 11.939 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.852 10.455 12.675 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.349 8.335 10.822 1.00 0.00 C ATOM 0 H ILE A 116 0.442 6.746 14.323 1.00 0.00 H new ATOM 0 HA ILE A 116 2.445 8.847 14.036 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.530 9.029 13.455 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.648 8.123 11.541 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.491 7.050 12.303 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.204 10.750 11.850 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.710 11.140 13.511 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.892 10.490 12.350 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.200 7.608 10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.366 8.251 11.205 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.191 9.340 10.431 1.00 0.00 H new ATOM 1805 N SER A 117 1.385 10.625 15.615 1.00 0.00 N ATOM 1806 CA SER A 117 1.053 11.462 16.762 1.00 0.00 C ATOM 1807 C SER A 117 1.139 12.940 16.390 1.00 0.00 C ATOM 1808 O SER A 117 1.814 13.306 15.428 1.00 0.00 O ATOM 1809 CB SER A 117 1.996 11.162 17.929 1.00 0.00 C ATOM 1810 OG SER A 117 3.233 10.650 17.467 1.00 0.00 O ATOM 0 H SER A 117 1.933 11.096 14.895 1.00 0.00 H new ATOM 0 HA SER A 117 0.031 11.237 17.066 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.168 12.071 18.505 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.530 10.442 18.602 1.00 0.00 H new ATOM 0 HG SER A 117 3.818 10.468 18.232 1.00 0.00 H new ATOM 1816 N MET A 118 0.455 13.786 17.153 1.00 0.00 N ATOM 1817 CA MET A 118 0.458 15.224 16.897 1.00 0.00 C ATOM 1818 C MET A 118 1.460 15.944 17.797 1.00 0.00 C ATOM 1819 O MET A 118 1.768 15.479 18.893 1.00 0.00 O ATOM 1820 CB MET A 118 -0.941 15.805 17.107 1.00 0.00 C ATOM 1821 CG MET A 118 -2.054 14.955 16.513 1.00 0.00 C ATOM 1822 SD MET A 118 -3.576 15.887 16.256 1.00 0.00 S ATOM 1823 CE MET A 118 -3.366 16.418 14.559 1.00 0.00 C ATOM 0 H MET A 118 -0.109 13.502 17.954 1.00 0.00 H new ATOM 0 HA MET A 118 0.758 15.377 15.860 1.00 0.00 H new ATOM 0 HB2 MET A 118 -1.118 15.924 18.176 1.00 0.00 H new ATOM 0 HB3 MET A 118 -0.981 16.800 16.665 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.721 14.540 15.561 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.255 14.113 17.175 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.327 16.737 14.156 1.00 0.00 H new ATOM 0 HE2 MET A 118 -2.663 17.250 14.522 1.00 0.00 H new ATOM 0 HE3 MET A 118 -2.980 15.590 13.964 1.00 0.00 H new ATOM 1833 N PRO A 119 1.985 17.094 17.337 1.00 0.00 N ATOM 1834 CA PRO A 119 2.955 17.879 18.099 1.00 0.00 C ATOM 1835 C PRO A 119 2.297 18.749 19.165 1.00 0.00 C ATOM 1836 O PRO A 119 2.135 19.958 18.984 1.00 0.00 O ATOM 1837 CB PRO A 119 3.603 18.748 17.023 1.00 0.00 C ATOM 1838 CG PRO A 119 2.524 18.962 16.018 1.00 0.00 C ATOM 1839 CD PRO A 119 1.675 17.716 16.035 1.00 0.00 C ATOM 0 HA PRO A 119 3.655 17.250 18.649 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.955 19.694 17.435 1.00 0.00 H new ATOM 0 HB3 PRO A 119 4.467 18.253 16.579 1.00 0.00 H new ATOM 0 HG2 PRO A 119 1.929 19.841 16.267 1.00 0.00 H new ATOM 0 HG3 PRO A 119 2.944 19.132 15.027 1.00 0.00 H new ATOM 0 HD2 PRO A 119 0.615 17.954 15.948 1.00 0.00 H new ATOM 0 HD3 PRO A 119 1.922 17.053 15.206 1.00 0.00 H new ATOM 1847 N SER A 120 1.918 18.129 20.279 1.00 0.00 N ATOM 1848 CA SER A 120 1.276 18.845 21.381 1.00 0.00 C ATOM 1849 C SER A 120 -0.129 19.293 20.994 1.00 0.00 C ATOM 1850 O SER A 120 -0.299 20.213 20.196 1.00 0.00 O ATOM 1851 CB SER A 120 2.115 20.056 21.796 1.00 0.00 C ATOM 1852 OG SER A 120 3.467 19.903 21.397 1.00 0.00 O ATOM 0 H SER A 120 2.044 17.130 20.444 1.00 0.00 H new ATOM 0 HA SER A 120 1.201 18.161 22.226 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.701 20.959 21.348 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.064 20.184 22.877 1.00 0.00 H new ATOM 0 HG SER A 120 3.981 20.691 21.673 1.00 0.00 H new ATOM 1858 N VAL A 121 -1.131 18.632 21.565 1.00 0.00 N ATOM 1859 CA VAL A 121 -2.526 18.953 21.283 1.00 0.00 C ATOM 1860 C VAL A 121 -3.449 18.329 22.329 1.00 0.00 C ATOM 1861 O VAL A 121 -3.961 19.009 23.217 1.00 0.00 O ATOM 1862 CB VAL A 121 -2.938 18.448 19.874 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -4.445 18.237 19.769 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -2.458 19.408 18.799 1.00 0.00 C ATOM 0 H VAL A 121 -1.002 17.868 22.228 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.625 20.038 21.317 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.458 17.482 19.719 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.694 17.884 18.768 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.761 17.497 20.504 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.958 19.180 19.959 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.757 19.036 17.819 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.900 20.390 18.965 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.372 19.488 18.841 1.00 0.00 H new ATOM 1874 N ALA A 122 -3.660 17.027 22.193 1.00 0.00 N ATOM 1875 CA ALA A 122 -4.523 16.275 23.085 1.00 0.00 C ATOM 1876 C ALA A 122 -4.000 14.851 23.268 1.00 0.00 C ATOM 1877 O ALA A 122 -2.795 14.611 23.206 1.00 0.00 O ATOM 1878 CB ALA A 122 -5.931 16.263 22.516 1.00 0.00 C ATOM 0 H ALA A 122 -3.234 16.463 21.457 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.534 16.751 24.066 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.587 15.700 23.180 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -6.296 17.286 22.427 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.922 15.794 21.532 1.00 0.00 H new ATOM 1884 N GLN A 123 -4.911 13.907 23.498 1.00 0.00 N ATOM 1885 CA GLN A 123 -4.535 12.509 23.689 1.00 0.00 C ATOM 1886 C GLN A 123 -4.496 11.750 22.362 1.00 0.00 C ATOM 1887 O GLN A 123 -4.735 10.544 22.320 1.00 0.00 O ATOM 1888 CB GLN A 123 -5.511 11.826 24.650 1.00 0.00 C ATOM 1889 CG GLN A 123 -5.137 11.992 26.113 1.00 0.00 C ATOM 1890 CD GLN A 123 -5.912 11.058 27.022 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -5.517 9.913 27.237 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -7.025 11.545 27.559 1.00 0.00 N ATOM 0 H GLN A 123 -5.914 14.085 23.556 1.00 0.00 H new ATOM 0 HA GLN A 123 -3.532 12.492 24.116 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.510 12.232 24.490 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -5.557 10.763 24.413 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -4.069 11.808 26.234 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.320 13.023 26.416 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -7.315 12.501 27.353 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -7.590 10.963 28.178 1.00 0.00 H new ATOM 1901 N TRP A 124 -4.183 12.464 21.282 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.100 11.860 19.947 1.00 0.00 C ATOM 1903 C TRP A 124 -3.309 10.556 19.977 1.00 0.00 C ATOM 1904 O TRP A 124 -2.646 10.244 20.967 1.00 0.00 O ATOM 1905 CB TRP A 124 -3.432 12.828 18.968 1.00 0.00 C ATOM 1906 CG TRP A 124 -2.439 13.725 19.632 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -2.613 15.036 19.937 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -1.129 13.371 20.092 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -1.498 15.526 20.568 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -0.568 14.525 20.669 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -0.377 12.194 20.070 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 0.711 14.533 21.221 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 0.893 12.204 20.618 1.00 0.00 C ATOM 1914 CH2 TRP A 124 1.425 13.367 21.186 1.00 0.00 C ATOM 0 H TRP A 124 -3.982 13.464 21.302 1.00 0.00 H new ATOM 0 HA TRP A 124 -5.117 11.646 19.619 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -2.934 12.259 18.183 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.197 13.435 18.484 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -3.500 15.610 19.715 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -1.380 16.481 20.907 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -0.780 11.292 19.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 1.124 15.428 21.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 1.483 11.300 20.607 1.00 0.00 H new ATOM 0 HH2 TRP A 124 2.420 13.343 21.605 1.00 0.00 H new ATOM 1925 N SER A 125 -3.372 9.807 18.877 1.00 0.00 N ATOM 1926 CA SER A 125 -2.658 8.537 18.756 1.00 0.00 C ATOM 1927 C SER A 125 -3.206 7.716 17.593 1.00 0.00 C ATOM 1928 O SER A 125 -4.270 7.108 17.700 1.00 0.00 O ATOM 1929 CB SER A 125 -2.758 7.725 20.053 1.00 0.00 C ATOM 1930 OG SER A 125 -1.638 7.959 20.888 1.00 0.00 O ATOM 0 H SER A 125 -3.914 10.060 18.051 1.00 0.00 H new ATOM 0 HA SER A 125 -1.609 8.766 18.565 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.673 7.991 20.583 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.824 6.663 19.817 1.00 0.00 H new ATOM 0 HG SER A 125 -1.507 8.924 20.996 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.474 7.701 16.484 1.00 0.00 N ATOM 1937 CA LEU A 126 -2.892 6.951 15.305 1.00 0.00 C ATOM 1938 C LEU A 126 -1.900 5.837 14.986 1.00 0.00 C ATOM 1939 O LEU A 126 -0.736 5.895 15.385 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.030 7.885 14.101 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.152 7.524 13.126 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -5.481 7.419 13.857 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -4.237 8.551 12.007 1.00 0.00 C ATOM 0 H LEU A 126 -1.590 8.199 16.377 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.861 6.500 15.520 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.198 8.899 14.464 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.085 7.893 13.557 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.925 6.553 12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.267 7.162 13.147 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.415 6.645 14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.715 8.375 14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.041 8.278 11.323 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.439 9.535 12.431 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.292 8.577 11.465 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.368 4.823 14.266 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.524 3.693 13.894 1.00 0.00 C ATOM 1957 C ASP A 127 -1.858 3.204 12.488 1.00 0.00 C ATOM 1958 O ASP A 127 -3.027 3.135 12.107 1.00 0.00 O ATOM 1959 CB ASP A 127 -1.692 2.551 14.897 1.00 0.00 C ATOM 1960 CG ASP A 127 -1.411 2.985 16.321 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -2.258 3.696 16.903 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -0.345 2.615 16.858 1.00 0.00 O ATOM 0 H ASP A 127 -3.328 4.760 13.928 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.487 4.028 13.906 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -2.708 2.162 14.833 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.020 1.735 14.630 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.827 2.867 11.720 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.015 2.387 10.357 1.00 0.00 C ATOM 1969 C VAL A 128 0.119 1.453 9.941 1.00 0.00 C ATOM 1970 O VAL A 128 1.234 1.549 10.453 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.097 3.556 9.357 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.474 3.053 7.973 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.091 4.601 9.842 1.00 0.00 C ATOM 0 H VAL A 128 0.147 2.918 12.019 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.957 1.839 10.341 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.114 4.023 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.527 3.894 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.722 2.345 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.445 2.559 8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.137 5.420 9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.077 4.148 9.939 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.772 4.985 10.811 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.174 0.553 9.008 1.00 0.00 N ATOM 1984 CA ALA A 129 0.822 -0.397 8.525 1.00 0.00 C ATOM 1985 C ALA A 129 0.476 -0.895 7.123 1.00 0.00 C ATOM 1986 O ALA A 129 -0.680 -1.204 6.833 1.00 0.00 O ATOM 1987 CB ALA A 129 0.945 -1.567 9.489 1.00 0.00 C ATOM 0 H ALA A 129 -1.091 0.461 8.572 1.00 0.00 H new ATOM 0 HA ALA A 129 1.782 0.117 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.692 -2.268 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.249 -1.200 10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.017 -2.072 9.573 1.00 0.00 H new ATOM 1993 N ALA A 130 1.485 -0.973 6.262 1.00 0.00 N ATOM 1994 CA ALA A 130 1.290 -1.434 4.893 1.00 0.00 C ATOM 1995 C ALA A 130 1.819 -2.854 4.714 1.00 0.00 C ATOM 1996 O ALA A 130 2.871 -3.207 5.245 1.00 0.00 O ATOM 1997 CB ALA A 130 1.971 -0.486 3.915 1.00 0.00 C ATOM 0 H ALA A 130 2.447 -0.722 6.489 1.00 0.00 H new ATOM 0 HA ALA A 130 0.220 -1.443 4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.817 -0.842 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.545 0.512 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.039 -0.448 4.129 1.00 0.00 H new ATOM 2003 N ASP A 131 1.079 -3.666 3.963 1.00 0.00 N ATOM 2004 CA ASP A 131 1.472 -5.051 3.713 1.00 0.00 C ATOM 2005 C ASP A 131 2.889 -5.122 3.153 1.00 0.00 C ATOM 2006 O ASP A 131 3.645 -6.044 3.462 1.00 0.00 O ATOM 2007 CB ASP A 131 0.495 -5.714 2.741 1.00 0.00 C ATOM 2008 CG ASP A 131 0.343 -7.200 2.997 1.00 0.00 C ATOM 2009 OD1 ASP A 131 0.406 -7.610 4.175 1.00 0.00 O ATOM 2010 OD2 ASP A 131 0.161 -7.957 2.019 1.00 0.00 O ATOM 0 H ASP A 131 0.204 -3.389 3.517 1.00 0.00 H new ATOM 0 HA ASP A 131 1.448 -5.585 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.479 -5.232 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.841 -5.558 1.719 1.00 0.00 H new ATOM 2015 N SER A 132 3.242 -4.142 2.332 1.00 0.00 N ATOM 2016 CA SER A 132 4.568 -4.086 1.729 1.00 0.00 C ATOM 2017 C SER A 132 5.511 -3.238 2.573 1.00 0.00 C ATOM 2018 O SER A 132 5.353 -2.021 2.665 1.00 0.00 O ATOM 2019 CB SER A 132 4.483 -3.517 0.312 1.00 0.00 C ATOM 2020 OG SER A 132 4.316 -4.551 -0.643 1.00 0.00 O ATOM 0 H SER A 132 2.627 -3.373 2.067 1.00 0.00 H new ATOM 0 HA SER A 132 4.963 -5.101 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.649 -2.819 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.389 -2.953 0.088 1.00 0.00 H new ATOM 0 HG SER A 132 4.263 -4.162 -1.541 1.00 0.00 H new ATOM 2026 N GLN A 133 6.496 -3.889 3.185 1.00 0.00 N ATOM 2027 CA GLN A 133 7.471 -3.193 4.019 1.00 0.00 C ATOM 2028 C GLN A 133 8.019 -1.968 3.293 1.00 0.00 C ATOM 2029 O GLN A 133 8.404 -0.981 3.920 1.00 0.00 O ATOM 2030 CB GLN A 133 8.617 -4.133 4.397 1.00 0.00 C ATOM 2031 CG GLN A 133 9.269 -4.809 3.202 1.00 0.00 C ATOM 2032 CD GLN A 133 10.180 -5.953 3.607 1.00 0.00 C ATOM 2033 OE1 GLN A 133 11.400 -5.867 3.475 1.00 0.00 O ATOM 2034 NE2 GLN A 133 9.587 -7.034 4.101 1.00 0.00 N ATOM 0 H GLN A 133 6.640 -4.897 3.119 1.00 0.00 H new ATOM 0 HA GLN A 133 6.970 -2.865 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.374 -3.569 4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 133 8.239 -4.898 5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 133 8.494 -5.185 2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 133 9.844 -4.072 2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 133 8.572 -7.062 4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 133 10.147 -7.836 4.389 1.00 0.00 H new ATOM 2043 N GLU A 134 8.037 -2.039 1.966 1.00 0.00 N ATOM 2044 CA GLU A 134 8.527 -0.933 1.153 1.00 0.00 C ATOM 2045 C GLU A 134 7.513 0.202 1.143 1.00 0.00 C ATOM 2046 O GLU A 134 7.871 1.371 1.280 1.00 0.00 O ATOM 2047 CB GLU A 134 8.807 -1.402 -0.276 1.00 0.00 C ATOM 2048 CG GLU A 134 9.899 -0.605 -0.975 1.00 0.00 C ATOM 2049 CD GLU A 134 11.115 -1.446 -1.305 1.00 0.00 C ATOM 2050 OE1 GLU A 134 11.747 -1.973 -0.366 1.00 0.00 O ATOM 2051 OE2 GLU A 134 11.438 -1.577 -2.505 1.00 0.00 O ATOM 0 H GLU A 134 7.719 -2.848 1.433 1.00 0.00 H new ATOM 0 HA GLU A 134 9.458 -0.570 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.093 -2.454 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.889 -1.333 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.499 -0.176 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.200 0.227 -0.339 1.00 0.00 H new ATOM 2058 N GLU A 135 6.244 -0.155 0.993 1.00 0.00 N ATOM 2059 CA GLU A 135 5.171 0.828 0.979 1.00 0.00 C ATOM 2060 C GLU A 135 5.033 1.476 2.352 1.00 0.00 C ATOM 2061 O GLU A 135 4.662 2.644 2.466 1.00 0.00 O ATOM 2062 CB GLU A 135 3.850 0.170 0.569 1.00 0.00 C ATOM 2063 CG GLU A 135 3.320 0.653 -0.772 1.00 0.00 C ATOM 2064 CD GLU A 135 1.827 0.440 -0.920 1.00 0.00 C ATOM 2065 OE1 GLU A 135 1.143 0.295 0.116 1.00 0.00 O ATOM 2066 OE2 GLU A 135 1.342 0.417 -2.070 1.00 0.00 O ATOM 0 H GLU A 135 5.933 -1.120 0.879 1.00 0.00 H new ATOM 0 HA GLU A 135 5.416 1.600 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.989 -0.910 0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.102 0.366 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 135 3.545 1.713 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.839 0.128 -1.574 1.00 0.00 H new ATOM 2073 N LEU A 136 5.342 0.708 3.394 1.00 0.00 N ATOM 2074 CA LEU A 136 5.263 1.207 4.760 1.00 0.00 C ATOM 2075 C LEU A 136 6.324 2.271 5.001 1.00 0.00 C ATOM 2076 O LEU A 136 6.039 3.338 5.545 1.00 0.00 O ATOM 2077 CB LEU A 136 5.433 0.059 5.757 1.00 0.00 C ATOM 2078 CG LEU A 136 5.466 0.479 7.230 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.734 -0.536 8.092 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.902 0.646 7.702 1.00 0.00 C ATOM 0 H LEU A 136 5.649 -0.262 3.316 1.00 0.00 H new ATOM 0 HA LEU A 136 4.280 1.656 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.617 -0.649 5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.358 -0.470 5.525 1.00 0.00 H new ATOM 0 HG LEU A 136 4.958 1.438 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.768 -0.220 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.696 -0.607 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.212 -1.510 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.908 0.945 8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.434 -0.299 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.395 1.412 7.104 1.00 0.00 H new ATOM 2092 N GLN A 137 7.548 1.976 4.583 1.00 0.00 N ATOM 2093 CA GLN A 137 8.654 2.912 4.745 1.00 0.00 C ATOM 2094 C GLN A 137 8.463 4.120 3.839 1.00 0.00 C ATOM 2095 O GLN A 137 8.718 5.256 4.238 1.00 0.00 O ATOM 2096 CB GLN A 137 9.985 2.227 4.436 1.00 0.00 C ATOM 2097 CG GLN A 137 10.215 0.954 5.236 1.00 0.00 C ATOM 2098 CD GLN A 137 11.056 1.188 6.475 1.00 0.00 C ATOM 2099 OE1 GLN A 137 12.278 1.318 6.393 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.405 1.242 7.631 1.00 0.00 N ATOM 0 H GLN A 137 7.800 1.098 4.130 1.00 0.00 H new ATOM 0 HA GLN A 137 8.669 3.250 5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 137 10.024 1.990 3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.798 2.924 4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 137 9.253 0.534 5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 137 10.706 0.215 4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.391 1.129 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.918 1.397 8.499 1.00 0.00 H new ATOM 2109 N ASP A 138 8.001 3.866 2.621 1.00 0.00 N ATOM 2110 CA ASP A 138 7.759 4.934 1.661 1.00 0.00 C ATOM 2111 C ASP A 138 6.593 5.802 2.119 1.00 0.00 C ATOM 2112 O ASP A 138 6.534 6.993 1.816 1.00 0.00 O ATOM 2113 CB ASP A 138 7.468 4.352 0.275 1.00 0.00 C ATOM 2114 CG ASP A 138 8.650 4.483 -0.666 1.00 0.00 C ATOM 2115 OD1 ASP A 138 9.787 4.192 -0.237 1.00 0.00 O ATOM 2116 OD2 ASP A 138 8.439 4.880 -1.832 1.00 0.00 O ATOM 0 H ASP A 138 7.787 2.931 2.275 1.00 0.00 H new ATOM 0 HA ASP A 138 8.655 5.552 1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 138 7.201 3.300 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.606 4.861 -0.156 1.00 0.00 H new ATOM 2121 N TRP A 139 5.666 5.194 2.856 1.00 0.00 N ATOM 2122 CA TRP A 139 4.504 5.910 3.363 1.00 0.00 C ATOM 2123 C TRP A 139 4.916 6.922 4.423 1.00 0.00 C ATOM 2124 O TRP A 139 4.514 8.083 4.379 1.00 0.00 O ATOM 2125 CB TRP A 139 3.482 4.929 3.943 1.00 0.00 C ATOM 2126 CG TRP A 139 2.320 4.683 3.032 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.372 4.187 1.762 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.937 4.922 3.315 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.105 4.102 1.237 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.207 4.549 2.171 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.244 5.414 4.424 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.180 4.653 2.105 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.132 5.517 4.358 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.832 5.137 3.204 1.00 0.00 C ATOM 0 H TRP A 139 5.699 4.208 3.114 1.00 0.00 H new ATOM 0 HA TRP A 139 4.045 6.445 2.532 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.977 3.981 4.155 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.115 5.316 4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.277 3.903 1.245 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.871 3.762 0.304 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.775 5.709 5.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.721 4.362 1.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.678 5.896 5.209 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.908 5.229 3.183 1.00 0.00 H new ATOM 2145 N VAL A 140 5.726 6.470 5.372 1.00 0.00 N ATOM 2146 CA VAL A 140 6.198 7.335 6.446 1.00 0.00 C ATOM 2147 C VAL A 140 7.055 8.466 5.889 1.00 0.00 C ATOM 2148 O VAL A 140 6.964 9.609 6.337 1.00 0.00 O ATOM 2149 CB VAL A 140 7.017 6.548 7.486 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.377 7.435 8.668 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.250 5.318 7.951 1.00 0.00 C ATOM 0 H VAL A 140 6.069 5.511 5.420 1.00 0.00 H new ATOM 0 HA VAL A 140 5.316 7.750 6.935 1.00 0.00 H new ATOM 0 HB VAL A 140 7.942 6.217 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.955 6.860 9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.969 8.282 8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.465 7.800 9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.844 4.775 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.308 5.626 8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.048 4.671 7.097 1.00 0.00 H new ATOM 2161 N LYS A 141 7.883 8.136 4.905 1.00 0.00 N ATOM 2162 CA LYS A 141 8.757 9.120 4.280 1.00 0.00 C ATOM 2163 C LYS A 141 7.942 10.194 3.575 1.00 0.00 C ATOM 2164 O LYS A 141 8.310 11.369 3.581 1.00 0.00 O ATOM 2165 CB LYS A 141 9.700 8.439 3.288 1.00 0.00 C ATOM 2166 CG LYS A 141 10.950 9.249 2.983 1.00 0.00 C ATOM 2167 CD LYS A 141 11.897 8.484 2.072 1.00 0.00 C ATOM 2168 CE LYS A 141 12.748 9.428 1.236 1.00 0.00 C ATOM 2169 NZ LYS A 141 13.956 8.749 0.689 1.00 0.00 N ATOM 0 H LYS A 141 7.967 7.194 4.523 1.00 0.00 H new ATOM 0 HA LYS A 141 9.350 9.595 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.994 7.468 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.163 8.252 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.669 10.190 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.460 9.499 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 141 12.544 7.844 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.323 7.831 1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.151 9.824 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.054 10.278 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.509 9.426 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 14.539 8.393 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.664 7.954 0.086 1.00 0.00 H new ATOM 2183 N LYS A 142 6.829 9.790 2.974 1.00 0.00 N ATOM 2184 CA LYS A 142 5.965 10.733 2.273 1.00 0.00 C ATOM 2185 C LYS A 142 5.321 11.692 3.261 1.00 0.00 C ATOM 2186 O LYS A 142 5.411 12.908 3.103 1.00 0.00 O ATOM 2187 CB LYS A 142 4.892 9.990 1.474 1.00 0.00 C ATOM 2188 CG LYS A 142 5.127 10.017 -0.028 1.00 0.00 C ATOM 2189 CD LYS A 142 6.482 9.432 -0.390 1.00 0.00 C ATOM 2190 CE LYS A 142 6.541 9.027 -1.855 1.00 0.00 C ATOM 2191 NZ LYS A 142 7.279 10.023 -2.677 1.00 0.00 N ATOM 0 H LYS A 142 6.505 8.823 2.957 1.00 0.00 H new ATOM 0 HA LYS A 142 6.575 11.307 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 142 4.853 8.954 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 142 3.919 10.431 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 142 4.340 9.454 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 142 5.065 11.044 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 142 7.263 10.164 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 142 6.684 8.564 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 142 7.024 8.054 -1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 142 5.528 8.916 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 7.297 9.710 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 6.804 10.946 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 8.253 10.110 -2.324 1.00 0.00 H new ATOM 2205 N ILE A 143 4.689 11.143 4.294 1.00 0.00 N ATOM 2206 CA ILE A 143 4.058 11.969 5.314 1.00 0.00 C ATOM 2207 C ILE A 143 5.063 12.981 5.852 1.00 0.00 C ATOM 2208 O ILE A 143 4.709 14.109 6.197 1.00 0.00 O ATOM 2209 CB ILE A 143 3.513 11.119 6.481 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.524 10.073 5.962 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.849 12.006 7.524 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.033 9.125 7.032 1.00 0.00 C ATOM 0 H ILE A 143 4.601 10.138 4.445 1.00 0.00 H new ATOM 0 HA ILE A 143 3.218 12.485 4.849 1.00 0.00 H new ATOM 0 HB ILE A 143 4.350 10.603 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.668 10.582 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.999 9.497 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.471 11.389 8.339 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.578 12.716 7.915 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.022 12.549 7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.336 8.411 6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 143 2.880 8.589 7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.528 9.690 7.815 1.00 0.00 H new ATOM 2224 N ARG A 144 6.326 12.567 5.902 1.00 0.00 N ATOM 2225 CA ARG A 144 7.397 13.429 6.378 1.00 0.00 C ATOM 2226 C ARG A 144 7.827 14.404 5.287 1.00 0.00 C ATOM 2227 O ARG A 144 8.300 15.504 5.578 1.00 0.00 O ATOM 2228 CB ARG A 144 8.593 12.590 6.831 1.00 0.00 C ATOM 2229 CG ARG A 144 8.480 12.092 8.263 1.00 0.00 C ATOM 2230 CD ARG A 144 9.005 10.670 8.405 1.00 0.00 C ATOM 2231 NE ARG A 144 9.865 10.517 9.575 1.00 0.00 N ATOM 2232 CZ ARG A 144 10.681 9.484 9.766 1.00 0.00 C ATOM 2233 NH1 ARG A 144 10.751 8.510 8.868 1.00 0.00 N ATOM 2234 NH2 ARG A 144 11.431 9.424 10.858 1.00 0.00 N ATOM 0 H ARG A 144 6.631 11.636 5.617 1.00 0.00 H new ATOM 0 HA ARG A 144 7.024 14.000 7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.699 11.734 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.501 13.184 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 144 9.039 12.754 8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.438 12.129 8.581 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.165 9.980 8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 144 9.562 10.398 7.508 1.00 0.00 H new ATOM 0 HE ARG A 144 9.838 11.246 10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.177 8.551 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 144 11.379 7.720 9.020 1.00 0.00 H new ATOM 0 HH21 ARG A 144 11.382 10.170 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 144 12.057 8.632 11.004 1.00 0.00 H new ATOM 2248 N GLU A 145 7.659 14.000 4.027 1.00 0.00 N ATOM 2249 CA GLU A 145 8.033 14.852 2.903 1.00 0.00 C ATOM 2250 C GLU A 145 7.003 15.953 2.691 1.00 0.00 C ATOM 2251 O GLU A 145 7.351 17.091 2.378 1.00 0.00 O ATOM 2252 CB GLU A 145 8.185 14.019 1.630 1.00 0.00 C ATOM 2253 CG GLU A 145 9.270 14.529 0.696 1.00 0.00 C ATOM 2254 CD GLU A 145 10.665 14.185 1.179 1.00 0.00 C ATOM 2255 OE1 GLU A 145 10.965 14.452 2.363 1.00 0.00 O ATOM 2256 OE2 GLU A 145 11.456 13.650 0.376 1.00 0.00 O ATOM 0 H GLU A 145 7.269 13.095 3.763 1.00 0.00 H new ATOM 0 HA GLU A 145 8.991 15.318 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.409 12.988 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.234 14.008 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.118 14.105 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.180 15.611 0.597 1.00 0.00 H new ATOM 2263 N VAL A 146 5.733 15.611 2.872 1.00 0.00 N ATOM 2264 CA VAL A 146 4.655 16.576 2.711 1.00 0.00 C ATOM 2265 C VAL A 146 4.537 17.448 3.953 1.00 0.00 C ATOM 2266 O VAL A 146 4.129 18.607 3.877 1.00 0.00 O ATOM 2267 CB VAL A 146 3.305 15.886 2.443 1.00 0.00 C ATOM 2268 CG1 VAL A 146 3.295 15.245 1.064 1.00 0.00 C ATOM 2269 CG2 VAL A 146 3.008 14.853 3.519 1.00 0.00 C ATOM 0 H VAL A 146 5.426 14.673 3.130 1.00 0.00 H new ATOM 0 HA VAL A 146 4.900 17.194 1.847 1.00 0.00 H new ATOM 0 HB VAL A 146 2.522 16.643 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 146 2.332 14.763 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.456 16.011 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 146 4.089 14.501 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 146 2.050 14.377 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.794 14.098 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 146 2.967 15.343 4.492 1.00 0.00 H new ATOM 2279 N ALA A 147 4.908 16.884 5.096 1.00 0.00 N ATOM 2280 CA ALA A 147 4.860 17.607 6.355 1.00 0.00 C ATOM 2281 C ALA A 147 6.043 18.559 6.470 1.00 0.00 C ATOM 2282 O ALA A 147 5.927 19.649 7.029 1.00 0.00 O ATOM 2283 CB ALA A 147 4.854 16.634 7.519 1.00 0.00 C ATOM 0 H ALA A 147 5.246 15.925 5.174 1.00 0.00 H new ATOM 0 HA ALA A 147 3.941 18.193 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.818 17.189 8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.981 15.986 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.759 16.027 7.491 1.00 0.00 H new ATOM 2289 N GLN A 148 7.182 18.137 5.930 1.00 0.00 N ATOM 2290 CA GLN A 148 8.388 18.953 5.962 1.00 0.00 C ATOM 2291 C GLN A 148 8.292 20.110 4.970 1.00 0.00 C ATOM 2292 O GLN A 148 9.086 21.049 5.023 1.00 0.00 O ATOM 2293 CB GLN A 148 9.617 18.099 5.648 1.00 0.00 C ATOM 2294 CG GLN A 148 10.918 18.883 5.645 1.00 0.00 C ATOM 2295 CD GLN A 148 12.076 18.096 6.228 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.621 18.450 7.273 1.00 0.00 O ATOM 2297 NE2 GLN A 148 12.458 17.019 5.550 1.00 0.00 N ATOM 0 H GLN A 148 7.294 17.236 5.466 1.00 0.00 H new ATOM 0 HA GLN A 148 8.488 19.366 6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.688 17.296 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.483 17.629 4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.160 19.174 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.785 19.802 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.978 16.762 4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.232 16.449 5.892 1.00 0.00 H new ATOM 2306 N THR A 149 7.317 20.039 4.068 1.00 0.00 N ATOM 2307 CA THR A 149 7.128 21.087 3.069 1.00 0.00 C ATOM 2308 C THR A 149 5.891 21.925 3.379 1.00 0.00 C ATOM 2309 O THR A 149 5.773 23.063 2.928 1.00 0.00 O ATOM 2310 CB THR A 149 7.009 20.477 1.671 1.00 0.00 C ATOM 2311 OG1 THR A 149 6.927 21.494 0.687 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.800 19.584 1.509 1.00 0.00 C ATOM 0 H THR A 149 6.649 19.271 4.008 1.00 0.00 H new ATOM 0 HA THR A 149 8.001 21.739 3.099 1.00 0.00 H new ATOM 0 HB THR A 149 7.907 19.872 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 149 6.853 21.085 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.776 19.184 0.495 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.857 18.761 2.222 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.894 20.161 1.693 1.00 0.00 H new ATOM 2320 N ALA A 150 4.969 21.354 4.150 1.00 0.00 N ATOM 2321 CA ALA A 150 3.744 22.053 4.516 1.00 0.00 C ATOM 2322 C ALA A 150 3.926 22.838 5.811 1.00 0.00 C ATOM 2323 O ALA A 150 3.578 24.038 5.827 1.00 0.00 O ATOM 2324 CB ALA A 150 2.594 21.065 4.652 1.00 0.00 C ATOM 2325 OXT ALA A 150 4.412 22.247 6.798 1.00 0.00 O ATOM 0 H ALA A 150 5.048 20.411 4.532 1.00 0.00 H new ATOM 0 HA ALA A 150 3.508 22.762 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 150 1.685 21.600 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 150 2.441 20.552 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.832 20.334 5.425 1.00 0.00 H new