USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 686 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 32 THR OG1 : rot -149:sc= 0.197 USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0.183 USER MOD Set 2.1: A 45 ASN :FLIP amide:sc= -0.183 X(o=-0.21,f=-0.18) USER MOD Set 2.2: A 47 GLN :FLIP amide:sc= 0 F(o=-0.71,f=-0.18) USER MOD Set 2.3: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 TYR OH : rot -32:sc= 1.04 USER MOD Set 3.2: A 43 TYR OH : rot 159:sc= 1.23 USER MOD Set 4.1: A 1 GLY N :NH3+ -114:sc= 0.0798 (180deg=0) USER MOD Set 4.2: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00852 X(o=-0.0085,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.61) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 81:sc= 0.076 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -92:sc= 1.31 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 31 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.19) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.78! C(o=-1.8!,f=-2.5!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 50 GLN : amide:sc= 0.424 K(o=0.42,f=-0.27) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 53:sc= 0.488 USER MOD Single : A 67 GLN : amide:sc= 0.44 K(o=0.44,f=-0.27) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.1) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0807 USER MOD Single : A 79 SER OG : rot -105:sc= 0.437 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc=-0.00981 (180deg=-0.147) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0951 X(o=-0.095,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= -0.0138 (180deg=-0.0854) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.909 25.281 0.752 1.00 0.00 N ATOM 2 CA GLY A 1 11.027 26.538 1.504 1.00 0.00 C ATOM 3 C GLY A 1 11.342 26.222 2.950 1.00 0.00 C ATOM 4 O GLY A 1 12.332 25.547 3.209 1.00 0.00 O ATOM 0 H1 GLY A 1 11.680 25.218 0.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.968 24.477 1.409 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.995 25.257 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.813 27.160 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.099 27.105 1.437 1.00 0.00 H new ATOM 8 N HIS A 2 10.525 26.675 3.906 1.00 0.00 N ATOM 9 CA HIS A 2 10.571 26.070 5.235 1.00 0.00 C ATOM 10 C HIS A 2 9.898 24.696 5.164 1.00 0.00 C ATOM 11 O HIS A 2 9.008 24.488 4.325 1.00 0.00 O ATOM 12 CB HIS A 2 9.877 26.948 6.280 1.00 0.00 C ATOM 13 CG HIS A 2 10.447 28.331 6.480 1.00 0.00 C ATOM 14 ND1 HIS A 2 9.864 29.325 7.236 1.00 0.00 N ATOM 15 CD2 HIS A 2 11.648 28.810 6.024 1.00 0.00 C ATOM 16 CE1 HIS A 2 10.695 30.380 7.226 1.00 0.00 C ATOM 17 NE2 HIS A 2 11.789 30.116 6.493 1.00 0.00 N ATOM 0 H HIS A 2 9.849 27.430 3.791 1.00 0.00 H new ATOM 0 HA HIS A 2 11.612 25.968 5.543 1.00 0.00 H new ATOM 0 HB2 HIS A 2 8.828 27.048 6.000 1.00 0.00 H new ATOM 0 HB3 HIS A 2 9.903 26.426 7.237 1.00 0.00 H new ATOM 0 HD2 HIS A 2 12.357 28.273 5.412 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.509 31.313 7.737 1.00 0.00 H new ATOM 0 HE2 HIS A 2 12.570 30.747 6.314 1.00 0.00 H new ATOM 25 N MET A 3 10.305 23.784 6.042 1.00 0.00 N ATOM 26 CA MET A 3 9.824 22.409 6.124 1.00 0.00 C ATOM 27 C MET A 3 9.293 22.147 7.536 1.00 0.00 C ATOM 28 O MET A 3 9.608 22.883 8.472 1.00 0.00 O ATOM 29 CB MET A 3 10.946 21.429 5.722 1.00 0.00 C ATOM 30 CG MET A 3 10.862 21.044 4.238 1.00 0.00 C ATOM 31 SD MET A 3 11.107 22.381 3.029 1.00 0.00 S ATOM 32 CE MET A 3 9.982 21.803 1.735 1.00 0.00 C ATOM 0 H MET A 3 11.011 23.993 6.748 1.00 0.00 H new ATOM 0 HA MET A 3 9.003 22.252 5.424 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.916 21.883 5.925 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.880 20.530 6.335 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.606 20.271 4.045 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.884 20.598 4.058 1.00 0.00 H new ATOM 0 HE1 MET A 3 9.997 22.503 0.900 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.300 20.819 1.389 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.970 21.738 2.135 1.00 0.00 H new ATOM 42 N GLN A 4 8.523 21.076 7.702 1.00 0.00 N ATOM 43 CA GLN A 4 8.111 20.514 8.980 1.00 0.00 C ATOM 44 C GLN A 4 8.134 18.999 8.842 1.00 0.00 C ATOM 45 O GLN A 4 8.886 18.313 9.537 1.00 0.00 O ATOM 46 CB GLN A 4 6.697 20.987 9.375 1.00 0.00 C ATOM 47 CG GLN A 4 6.708 22.288 10.183 1.00 0.00 C ATOM 48 CD GLN A 4 5.408 22.487 10.963 1.00 0.00 C ATOM 49 OE1 GLN A 4 4.521 23.243 10.572 1.00 0.00 O ATOM 50 NE2 GLN A 4 5.235 21.774 12.062 1.00 0.00 N ATOM 0 H GLN A 4 8.152 20.552 6.909 1.00 0.00 H new ATOM 0 HA GLN A 4 8.791 20.847 9.764 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.102 21.130 8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.208 20.207 9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.549 22.277 10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.860 23.132 9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.972 21.147 12.385 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.364 21.850 12.588 1.00 0.00 H new ATOM 59 N GLU A 5 7.313 18.477 7.934 1.00 0.00 N ATOM 60 CA GLU A 5 7.039 17.050 7.812 1.00 0.00 C ATOM 61 C GLU A 5 7.884 16.406 6.706 1.00 0.00 C ATOM 62 O GLU A 5 8.204 15.226 6.802 1.00 0.00 O ATOM 63 CB GLU A 5 5.525 16.854 7.643 1.00 0.00 C ATOM 64 CG GLU A 5 5.099 17.166 6.214 1.00 0.00 C ATOM 65 CD GLU A 5 3.659 17.647 6.066 1.00 0.00 C ATOM 66 OE1 GLU A 5 2.700 16.957 6.479 1.00 0.00 O ATOM 67 OE2 GLU A 5 3.471 18.698 5.409 1.00 0.00 O ATOM 0 H GLU A 5 6.811 19.045 7.251 1.00 0.00 H new ATOM 0 HA GLU A 5 7.339 16.526 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.256 15.828 7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.989 17.502 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.765 17.928 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.232 16.271 5.606 1.00 0.00 H new ATOM 74 N SER A 6 8.271 17.194 5.696 1.00 0.00 N ATOM 75 CA SER A 6 9.005 16.780 4.507 1.00 0.00 C ATOM 76 C SER A 6 8.454 15.481 3.906 1.00 0.00 C ATOM 77 O SER A 6 9.107 14.438 3.957 1.00 0.00 O ATOM 78 CB SER A 6 10.510 16.722 4.786 1.00 0.00 C ATOM 79 OG SER A 6 10.956 17.960 5.305 1.00 0.00 O ATOM 0 H SER A 6 8.066 18.193 5.692 1.00 0.00 H new ATOM 0 HA SER A 6 8.854 17.540 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.726 15.923 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.049 16.488 3.868 1.00 0.00 H new ATOM 0 HG SER A 6 11.919 17.913 5.482 1.00 0.00 H new ATOM 85 N TYR A 7 7.260 15.543 3.308 1.00 0.00 N ATOM 86 CA TYR A 7 6.729 14.443 2.511 1.00 0.00 C ATOM 87 C TYR A 7 6.824 14.793 1.034 1.00 0.00 C ATOM 88 O TYR A 7 6.834 15.966 0.645 1.00 0.00 O ATOM 89 CB TYR A 7 5.299 14.067 2.924 1.00 0.00 C ATOM 90 CG TYR A 7 5.246 12.701 3.576 1.00 0.00 C ATOM 91 CD1 TYR A 7 5.381 11.541 2.787 1.00 0.00 C ATOM 92 CD2 TYR A 7 5.146 12.595 4.974 1.00 0.00 C ATOM 93 CE1 TYR A 7 5.457 10.275 3.402 1.00 0.00 C ATOM 94 CE2 TYR A 7 5.185 11.334 5.590 1.00 0.00 C ATOM 95 CZ TYR A 7 5.373 10.168 4.812 1.00 0.00 C ATOM 96 OH TYR A 7 5.507 8.959 5.431 1.00 0.00 O ATOM 0 H TYR A 7 6.642 16.352 3.364 1.00 0.00 H new ATOM 0 HA TYR A 7 7.335 13.556 2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.911 14.815 3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.652 14.077 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.426 11.622 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.039 13.486 5.576 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.579 9.387 2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.071 11.254 6.661 1.00 0.00 H new ATOM 0 HH TYR A 7 5.422 9.077 6.400 1.00 0.00 H new ATOM 106 N SER A 8 6.921 13.760 0.200 1.00 0.00 N ATOM 107 CA SER A 8 7.176 13.882 -1.219 1.00 0.00 C ATOM 108 C SER A 8 6.886 12.534 -1.887 1.00 0.00 C ATOM 109 O SER A 8 6.246 11.663 -1.287 1.00 0.00 O ATOM 110 CB SER A 8 8.641 14.311 -1.391 1.00 0.00 C ATOM 111 OG SER A 8 8.895 14.872 -2.665 1.00 0.00 O ATOM 0 H SER A 8 6.821 12.793 0.508 1.00 0.00 H new ATOM 0 HA SER A 8 6.536 14.628 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.896 15.038 -0.620 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.289 13.447 -1.242 1.00 0.00 H new ATOM 0 HG SER A 8 9.838 15.131 -2.726 1.00 0.00 H new ATOM 117 N GLN A 9 7.306 12.364 -3.142 1.00 0.00 N ATOM 118 CA GLN A 9 7.342 11.072 -3.793 1.00 0.00 C ATOM 119 C GLN A 9 8.396 10.169 -3.142 1.00 0.00 C ATOM 120 O GLN A 9 9.280 10.622 -2.401 1.00 0.00 O ATOM 121 CB GLN A 9 7.598 11.226 -5.299 1.00 0.00 C ATOM 122 CG GLN A 9 6.372 11.807 -6.016 1.00 0.00 C ATOM 123 CD GLN A 9 6.545 11.827 -7.534 1.00 0.00 C ATOM 124 OE1 GLN A 9 7.632 12.072 -8.064 1.00 0.00 O ATOM 125 NE2 GLN A 9 5.489 11.545 -8.281 1.00 0.00 N ATOM 0 H GLN A 9 7.631 13.130 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 9 6.369 10.598 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.458 11.876 -5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.848 10.256 -5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.491 11.218 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.192 12.821 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.592 11.343 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.573 11.530 -9.297 1.00 0.00 H new ATOM 134 N TYR A 10 8.292 8.881 -3.451 1.00 0.00 N ATOM 135 CA TYR A 10 9.151 7.806 -2.980 1.00 0.00 C ATOM 136 C TYR A 10 10.281 7.544 -3.997 1.00 0.00 C ATOM 137 O TYR A 10 10.146 7.937 -5.160 1.00 0.00 O ATOM 138 CB TYR A 10 8.274 6.566 -2.797 1.00 0.00 C ATOM 139 CG TYR A 10 7.508 6.534 -1.491 1.00 0.00 C ATOM 140 CD1 TYR A 10 6.465 7.445 -1.257 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.858 5.603 -0.498 1.00 0.00 C ATOM 142 CE1 TYR A 10 5.756 7.417 -0.044 1.00 0.00 C ATOM 143 CE2 TYR A 10 7.168 5.579 0.727 1.00 0.00 C ATOM 144 CZ TYR A 10 6.113 6.492 0.963 1.00 0.00 C ATOM 145 OH TYR A 10 5.494 6.532 2.173 1.00 0.00 O ATOM 0 H TYR A 10 7.560 8.541 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 10 9.624 8.070 -2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.565 6.512 -3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.903 5.678 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.206 8.171 -2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.661 4.903 -0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.938 8.103 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.443 4.864 1.488 1.00 0.00 H new ATOM 0 HH TYR A 10 5.856 5.827 2.749 1.00 0.00 H new ATOM 155 N PRO A 11 11.368 6.846 -3.612 1.00 0.00 N ATOM 156 CA PRO A 11 12.463 6.474 -4.511 1.00 0.00 C ATOM 157 C PRO A 11 12.051 5.342 -5.468 1.00 0.00 C ATOM 158 O PRO A 11 10.889 4.935 -5.496 1.00 0.00 O ATOM 159 CB PRO A 11 13.603 6.053 -3.577 1.00 0.00 C ATOM 160 CG PRO A 11 12.856 5.432 -2.401 1.00 0.00 C ATOM 161 CD PRO A 11 11.651 6.361 -2.266 1.00 0.00 C ATOM 0 HA PRO A 11 12.758 7.296 -5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.275 5.339 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.210 6.904 -3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.558 4.403 -2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.462 5.415 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.793 5.830 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.869 7.188 -1.590 1.00 0.00 H new ATOM 169 N VAL A 12 12.997 4.832 -6.260 1.00 0.00 N ATOM 170 CA VAL A 12 12.821 3.711 -7.181 1.00 0.00 C ATOM 171 C VAL A 12 13.534 2.487 -6.597 1.00 0.00 C ATOM 172 O VAL A 12 14.721 2.311 -6.873 1.00 0.00 O ATOM 173 CB VAL A 12 13.299 4.047 -8.608 1.00 0.00 C ATOM 174 CG1 VAL A 12 12.905 2.924 -9.581 1.00 0.00 C ATOM 175 CG2 VAL A 12 12.635 5.328 -9.101 1.00 0.00 C ATOM 0 H VAL A 12 13.946 5.206 -6.276 1.00 0.00 H new ATOM 0 HA VAL A 12 11.758 3.490 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 12 14.382 4.164 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.249 3.175 -10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.365 1.989 -9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.821 2.811 -9.587 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.982 5.553 -10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.553 5.197 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.895 6.152 -8.436 1.00 0.00 H new ATOM 185 N PRO A 13 12.897 1.686 -5.733 1.00 0.00 N ATOM 186 CA PRO A 13 13.482 0.441 -5.254 1.00 0.00 C ATOM 187 C PRO A 13 13.596 -0.547 -6.419 1.00 0.00 C ATOM 188 O PRO A 13 12.840 -0.432 -7.389 1.00 0.00 O ATOM 189 CB PRO A 13 12.512 -0.047 -4.179 1.00 0.00 C ATOM 190 CG PRO A 13 11.161 0.474 -4.665 1.00 0.00 C ATOM 191 CD PRO A 13 11.535 1.827 -5.261 1.00 0.00 C ATOM 0 HA PRO A 13 14.488 0.556 -4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.518 -1.134 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.767 0.350 -3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.712 -0.187 -5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.445 0.572 -3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.864 2.094 -6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.459 2.618 -4.515 1.00 0.00 H new ATOM 199 N ASP A 14 14.467 -1.555 -6.310 1.00 0.00 N ATOM 200 CA ASP A 14 14.527 -2.659 -7.269 1.00 0.00 C ATOM 201 C ASP A 14 14.536 -3.965 -6.494 1.00 0.00 C ATOM 202 O ASP A 14 15.263 -4.097 -5.506 1.00 0.00 O ATOM 203 CB ASP A 14 15.749 -2.572 -8.194 1.00 0.00 C ATOM 204 CG ASP A 14 15.564 -3.453 -9.434 1.00 0.00 C ATOM 205 OD1 ASP A 14 15.371 -4.680 -9.288 1.00 0.00 O ATOM 206 OD2 ASP A 14 15.582 -2.899 -10.557 1.00 0.00 O ATOM 0 H ASP A 14 15.149 -1.627 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 14 13.652 -2.603 -7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.906 -1.537 -8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.642 -2.883 -7.652 1.00 0.00 H new ATOM 211 N VAL A 15 13.731 -4.930 -6.918 1.00 0.00 N ATOM 212 CA VAL A 15 13.654 -6.247 -6.313 1.00 0.00 C ATOM 213 C VAL A 15 15.021 -6.950 -6.296 1.00 0.00 C ATOM 214 O VAL A 15 15.275 -7.751 -5.391 1.00 0.00 O ATOM 215 CB VAL A 15 12.488 -7.031 -6.960 1.00 0.00 C ATOM 216 CG1 VAL A 15 12.525 -7.031 -8.499 1.00 0.00 C ATOM 217 CG2 VAL A 15 12.401 -8.470 -6.465 1.00 0.00 C ATOM 0 H VAL A 15 13.100 -4.813 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 15 13.411 -6.174 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 15 11.597 -6.490 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.678 -7.599 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 15 12.470 -6.006 -8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.454 -7.488 -8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.565 -8.972 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 15 13.327 -8.993 -6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.248 -8.475 -5.386 1.00 0.00 H new ATOM 227 N SER A 16 15.945 -6.609 -7.204 1.00 0.00 N ATOM 228 CA SER A 16 17.313 -7.116 -7.176 1.00 0.00 C ATOM 229 C SER A 16 18.066 -6.777 -5.880 1.00 0.00 C ATOM 230 O SER A 16 19.042 -7.460 -5.567 1.00 0.00 O ATOM 231 CB SER A 16 18.086 -6.571 -8.380 1.00 0.00 C ATOM 232 OG SER A 16 17.513 -6.960 -9.619 1.00 0.00 O ATOM 0 H SER A 16 15.759 -5.972 -7.978 1.00 0.00 H new ATOM 0 HA SER A 16 17.246 -8.203 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.118 -5.483 -8.324 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.117 -6.922 -8.334 1.00 0.00 H new ATOM 0 HG SER A 16 16.755 -6.375 -9.827 1.00 0.00 H new ATOM 238 N THR A 17 17.638 -5.773 -5.105 1.00 0.00 N ATOM 239 CA THR A 17 18.341 -5.346 -3.893 1.00 0.00 C ATOM 240 C THR A 17 17.466 -5.496 -2.640 1.00 0.00 C ATOM 241 O THR A 17 17.765 -4.932 -1.581 1.00 0.00 O ATOM 242 CB THR A 17 19.008 -3.970 -4.098 1.00 0.00 C ATOM 243 OG1 THR A 17 18.100 -2.890 -4.049 1.00 0.00 O ATOM 244 CG2 THR A 17 19.714 -3.883 -5.457 1.00 0.00 C ATOM 0 H THR A 17 16.794 -5.235 -5.302 1.00 0.00 H new ATOM 0 HA THR A 17 19.173 -6.023 -3.699 1.00 0.00 H new ATOM 0 HB THR A 17 19.715 -3.889 -3.272 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.585 -2.049 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.172 -2.900 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.485 -4.651 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 17 18.987 -4.036 -6.255 1.00 0.00 H new ATOM 252 N TYR A 18 16.381 -6.270 -2.742 1.00 0.00 N ATOM 253 CA TYR A 18 15.690 -6.840 -1.598 1.00 0.00 C ATOM 254 C TYR A 18 16.557 -7.959 -1.000 1.00 0.00 C ATOM 255 O TYR A 18 17.420 -8.523 -1.681 1.00 0.00 O ATOM 256 CB TYR A 18 14.276 -7.262 -2.030 1.00 0.00 C ATOM 257 CG TYR A 18 13.369 -6.157 -2.520 1.00 0.00 C ATOM 258 CD1 TYR A 18 13.657 -4.808 -2.254 1.00 0.00 C ATOM 259 CD2 TYR A 18 12.191 -6.499 -3.202 1.00 0.00 C ATOM 260 CE1 TYR A 18 12.828 -3.797 -2.762 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.356 -5.501 -3.726 1.00 0.00 C ATOM 262 CZ TYR A 18 11.679 -4.142 -3.515 1.00 0.00 C ATOM 263 OH TYR A 18 10.877 -3.169 -4.029 1.00 0.00 O ATOM 0 H TYR A 18 15.958 -6.517 -3.637 1.00 0.00 H new ATOM 0 HA TYR A 18 15.548 -6.118 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 18 14.368 -8.006 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 18 13.792 -7.753 -1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.519 -4.549 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.925 -7.539 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.065 -2.759 -2.580 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.473 -5.770 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 18 10.883 -2.391 -3.433 1.00 0.00 H new ATOM 273 N GLN A 19 16.308 -8.308 0.263 1.00 0.00 N ATOM 274 CA GLN A 19 16.982 -9.386 1.008 1.00 0.00 C ATOM 275 C GLN A 19 16.031 -10.569 1.290 1.00 0.00 C ATOM 276 O GLN A 19 14.974 -10.341 1.874 1.00 0.00 O ATOM 277 CB GLN A 19 17.504 -8.774 2.311 1.00 0.00 C ATOM 278 CG GLN A 19 18.569 -7.704 2.026 1.00 0.00 C ATOM 279 CD GLN A 19 19.257 -7.101 3.253 1.00 0.00 C ATOM 280 OE1 GLN A 19 20.215 -6.339 3.105 1.00 0.00 O ATOM 281 NE2 GLN A 19 18.833 -7.376 4.472 1.00 0.00 N ATOM 0 H GLN A 19 15.602 -7.830 0.823 1.00 0.00 H new ATOM 0 HA GLN A 19 17.802 -9.794 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.677 -8.331 2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.928 -9.556 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.333 -8.142 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.103 -6.896 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.041 -8.005 4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 19 19.297 -6.960 5.279 1.00 0.00 H new ATOM 290 N TYR A 20 16.252 -11.770 0.736 1.00 0.00 N ATOM 291 CA TYR A 20 15.391 -12.950 0.893 1.00 0.00 C ATOM 292 C TYR A 20 15.376 -13.506 2.324 1.00 0.00 C ATOM 293 O TYR A 20 16.364 -13.378 3.053 1.00 0.00 O ATOM 294 CB TYR A 20 15.925 -14.033 -0.057 1.00 0.00 C ATOM 295 CG TYR A 20 15.154 -15.345 -0.088 1.00 0.00 C ATOM 296 CD1 TYR A 20 13.798 -15.377 -0.465 1.00 0.00 C ATOM 297 CD2 TYR A 20 15.803 -16.550 0.237 1.00 0.00 C ATOM 298 CE1 TYR A 20 13.112 -16.600 -0.550 1.00 0.00 C ATOM 299 CE2 TYR A 20 15.139 -17.778 0.105 1.00 0.00 C ATOM 300 CZ TYR A 20 13.782 -17.812 -0.278 1.00 0.00 C ATOM 301 OH TYR A 20 13.144 -19.012 -0.390 1.00 0.00 O ATOM 0 H TYR A 20 17.064 -11.952 0.146 1.00 0.00 H new ATOM 0 HA TYR A 20 14.366 -12.657 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.943 -13.623 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.957 -14.250 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 20 13.282 -14.455 -0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 20 16.823 -16.529 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 20 12.068 -16.613 -0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 20 15.668 -18.700 0.297 1.00 0.00 H new ATOM 0 HH TYR A 20 13.765 -19.735 -0.164 1.00 0.00 H new ATOM 311 N ASP A 21 14.308 -14.236 2.682 1.00 0.00 N ATOM 312 CA ASP A 21 14.243 -15.077 3.873 1.00 0.00 C ATOM 313 C ASP A 21 13.755 -16.450 3.439 1.00 0.00 C ATOM 314 O ASP A 21 12.562 -16.649 3.211 1.00 0.00 O ATOM 315 CB ASP A 21 13.326 -14.498 4.968 1.00 0.00 C ATOM 316 CG ASP A 21 14.137 -13.909 6.111 1.00 0.00 C ATOM 317 OD1 ASP A 21 14.597 -12.750 6.000 1.00 0.00 O ATOM 318 OD2 ASP A 21 14.384 -14.641 7.096 1.00 0.00 O ATOM 0 H ASP A 21 13.448 -14.254 2.134 1.00 0.00 H new ATOM 0 HA ASP A 21 15.236 -15.133 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.685 -13.728 4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.671 -15.282 5.349 1.00 0.00 H new ATOM 323 N GLU A 22 14.668 -17.414 3.343 1.00 0.00 N ATOM 324 CA GLU A 22 14.368 -18.830 3.118 1.00 0.00 C ATOM 325 C GLU A 22 13.355 -19.370 4.128 1.00 0.00 C ATOM 326 O GLU A 22 12.592 -20.276 3.791 1.00 0.00 O ATOM 327 CB GLU A 22 15.652 -19.690 3.156 1.00 0.00 C ATOM 328 CG GLU A 22 16.639 -19.212 4.226 1.00 0.00 C ATOM 329 CD GLU A 22 17.660 -20.258 4.655 1.00 0.00 C ATOM 330 OE1 GLU A 22 18.367 -20.803 3.779 1.00 0.00 O ATOM 331 OE2 GLU A 22 17.804 -20.458 5.884 1.00 0.00 O ATOM 0 H GLU A 22 15.668 -17.228 3.422 1.00 0.00 H new ATOM 0 HA GLU A 22 13.926 -18.898 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.385 -20.729 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.135 -19.661 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.170 -18.338 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.077 -18.890 5.103 1.00 0.00 H new ATOM 338 N THR A 23 13.320 -18.831 5.348 1.00 0.00 N ATOM 339 CA THR A 23 12.482 -19.342 6.419 1.00 0.00 C ATOM 340 C THR A 23 10.983 -19.142 6.124 1.00 0.00 C ATOM 341 O THR A 23 10.182 -19.907 6.664 1.00 0.00 O ATOM 342 CB THR A 23 12.984 -18.746 7.749 1.00 0.00 C ATOM 343 OG1 THR A 23 12.667 -19.557 8.858 1.00 0.00 O ATOM 344 CG2 THR A 23 12.454 -17.340 8.031 1.00 0.00 C ATOM 0 H THR A 23 13.879 -18.021 5.616 1.00 0.00 H new ATOM 0 HA THR A 23 12.570 -20.425 6.501 1.00 0.00 H new ATOM 0 HB THR A 23 14.065 -18.695 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.007 -19.139 9.677 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.850 -16.986 8.983 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.769 -16.666 7.234 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.365 -17.364 8.077 1.00 0.00 H new ATOM 352 N SER A 24 10.604 -18.215 5.230 1.00 0.00 N ATOM 353 CA SER A 24 9.209 -17.980 4.837 1.00 0.00 C ATOM 354 C SER A 24 9.013 -17.804 3.326 1.00 0.00 C ATOM 355 O SER A 24 7.873 -17.795 2.849 1.00 0.00 O ATOM 356 CB SER A 24 8.663 -16.773 5.609 1.00 0.00 C ATOM 357 OG SER A 24 8.629 -17.069 6.991 1.00 0.00 O ATOM 0 H SER A 24 11.267 -17.602 4.755 1.00 0.00 H new ATOM 0 HA SER A 24 8.646 -18.877 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.290 -15.900 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.662 -16.525 5.255 1.00 0.00 H new ATOM 0 HG SER A 24 8.281 -16.296 7.483 1.00 0.00 H new ATOM 363 N GLY A 25 10.092 -17.678 2.552 1.00 0.00 N ATOM 364 CA GLY A 25 10.073 -17.729 1.101 1.00 0.00 C ATOM 365 C GLY A 25 9.670 -16.415 0.439 1.00 0.00 C ATOM 366 O GLY A 25 9.533 -16.372 -0.784 1.00 0.00 O ATOM 0 H GLY A 25 11.027 -17.534 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.063 -18.015 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.382 -18.510 0.784 1.00 0.00 H new ATOM 370 N TYR A 26 9.506 -15.343 1.211 1.00 0.00 N ATOM 371 CA TYR A 26 9.230 -14.008 0.701 1.00 0.00 C ATOM 372 C TYR A 26 10.538 -13.223 0.648 1.00 0.00 C ATOM 373 O TYR A 26 11.571 -13.642 1.187 1.00 0.00 O ATOM 374 CB TYR A 26 8.196 -13.310 1.608 1.00 0.00 C ATOM 375 CG TYR A 26 6.756 -13.640 1.257 1.00 0.00 C ATOM 376 CD1 TYR A 26 6.332 -14.979 1.134 1.00 0.00 C ATOM 377 CD2 TYR A 26 5.867 -12.597 0.935 1.00 0.00 C ATOM 378 CE1 TYR A 26 5.079 -15.275 0.579 1.00 0.00 C ATOM 379 CE2 TYR A 26 4.594 -12.886 0.418 1.00 0.00 C ATOM 380 CZ TYR A 26 4.223 -14.226 0.185 1.00 0.00 C ATOM 381 OH TYR A 26 3.139 -14.514 -0.582 1.00 0.00 O ATOM 0 H TYR A 26 9.563 -15.382 2.229 1.00 0.00 H new ATOM 0 HA TYR A 26 8.812 -14.063 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.383 -13.595 2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.339 -12.231 1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.975 -15.780 1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.165 -11.570 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.771 -16.302 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.902 -12.086 0.200 1.00 0.00 H new ATOM 0 HH TYR A 26 3.377 -14.431 -1.529 1.00 0.00 H new ATOM 391 N TYR A 27 10.478 -12.070 -0.002 1.00 0.00 N ATOM 392 CA TYR A 27 11.552 -11.101 -0.112 1.00 0.00 C ATOM 393 C TYR A 27 11.246 -9.935 0.829 1.00 0.00 C ATOM 394 O TYR A 27 10.083 -9.560 0.933 1.00 0.00 O ATOM 395 CB TYR A 27 11.605 -10.701 -1.594 1.00 0.00 C ATOM 396 CG TYR A 27 12.108 -11.846 -2.471 1.00 0.00 C ATOM 397 CD1 TYR A 27 13.416 -12.350 -2.330 1.00 0.00 C ATOM 398 CD2 TYR A 27 11.247 -12.470 -3.388 1.00 0.00 C ATOM 399 CE1 TYR A 27 13.926 -13.344 -3.166 1.00 0.00 C ATOM 400 CE2 TYR A 27 11.732 -13.509 -4.209 1.00 0.00 C ATOM 401 CZ TYR A 27 13.083 -13.919 -4.136 1.00 0.00 C ATOM 402 OH TYR A 27 13.554 -14.855 -4.999 1.00 0.00 O ATOM 0 H TYR A 27 9.634 -11.772 -0.491 1.00 0.00 H new ATOM 0 HA TYR A 27 12.529 -11.484 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.611 -10.399 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.258 -9.837 -1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.046 -11.953 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.217 -12.155 -3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.952 -13.667 -3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.063 -13.998 -4.902 1.00 0.00 H new ATOM 0 HH TYR A 27 12.832 -15.141 -5.597 1.00 0.00 H new ATOM 412 N TYR A 28 12.251 -9.386 1.520 1.00 0.00 N ATOM 413 CA TYR A 28 12.096 -8.270 2.441 1.00 0.00 C ATOM 414 C TYR A 28 12.702 -7.052 1.781 1.00 0.00 C ATOM 415 O TYR A 28 13.770 -7.154 1.164 1.00 0.00 O ATOM 416 CB TYR A 28 12.829 -8.530 3.766 1.00 0.00 C ATOM 417 CG TYR A 28 12.839 -7.326 4.693 1.00 0.00 C ATOM 418 CD1 TYR A 28 11.621 -6.797 5.151 1.00 0.00 C ATOM 419 CD2 TYR A 28 14.048 -6.687 5.034 1.00 0.00 C ATOM 420 CE1 TYR A 28 11.604 -5.673 5.993 1.00 0.00 C ATOM 421 CE2 TYR A 28 14.041 -5.542 5.852 1.00 0.00 C ATOM 422 CZ TYR A 28 12.816 -5.040 6.347 1.00 0.00 C ATOM 423 OH TYR A 28 12.788 -3.950 7.163 1.00 0.00 O ATOM 0 H TYR A 28 13.213 -9.717 1.448 1.00 0.00 H new ATOM 0 HA TYR A 28 11.038 -8.130 2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 28 12.356 -9.369 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.857 -8.825 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.691 -7.258 4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.985 -7.078 4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.666 -5.293 6.369 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.969 -5.048 6.101 1.00 0.00 H new ATOM 0 HH TYR A 28 13.702 -3.630 7.314 1.00 0.00 H new ATOM 433 N ASP A 29 12.068 -5.900 1.982 1.00 0.00 N ATOM 434 CA ASP A 29 12.238 -4.739 1.146 1.00 0.00 C ATOM 435 C ASP A 29 12.827 -3.623 2.013 1.00 0.00 C ATOM 436 O ASP A 29 12.107 -2.705 2.414 1.00 0.00 O ATOM 437 CB ASP A 29 10.891 -4.335 0.524 1.00 0.00 C ATOM 438 CG ASP A 29 10.086 -5.460 -0.129 1.00 0.00 C ATOM 439 OD1 ASP A 29 10.664 -6.489 -0.539 1.00 0.00 O ATOM 440 OD2 ASP A 29 8.855 -5.264 -0.180 1.00 0.00 O ATOM 0 H ASP A 29 11.411 -5.755 2.749 1.00 0.00 H new ATOM 0 HA ASP A 29 12.917 -4.946 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.277 -3.881 1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.076 -3.566 -0.226 1.00 0.00 H new ATOM 445 N PRO A 30 14.140 -3.629 2.317 1.00 0.00 N ATOM 446 CA PRO A 30 14.771 -2.687 3.242 1.00 0.00 C ATOM 447 C PRO A 30 14.734 -1.236 2.771 1.00 0.00 C ATOM 448 O PRO A 30 15.210 -0.341 3.469 1.00 0.00 O ATOM 449 CB PRO A 30 16.228 -3.131 3.369 1.00 0.00 C ATOM 450 CG PRO A 30 16.479 -3.996 2.141 1.00 0.00 C ATOM 451 CD PRO A 30 15.113 -4.596 1.858 1.00 0.00 C ATOM 0 HA PRO A 30 14.224 -2.705 4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.902 -2.275 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 30 16.392 -3.693 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.842 -3.406 1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.225 -4.766 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.990 -4.796 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.991 -5.547 2.377 1.00 0.00 H new ATOM 459 N GLN A 31 14.237 -0.991 1.563 1.00 0.00 N ATOM 460 CA GLN A 31 14.004 0.350 1.076 1.00 0.00 C ATOM 461 C GLN A 31 12.806 0.993 1.787 1.00 0.00 C ATOM 462 O GLN A 31 12.748 2.221 1.860 1.00 0.00 O ATOM 463 CB GLN A 31 13.772 0.302 -0.443 1.00 0.00 C ATOM 464 CG GLN A 31 15.019 -0.164 -1.218 1.00 0.00 C ATOM 465 CD GLN A 31 16.218 0.751 -0.990 1.00 0.00 C ATOM 466 OE1 GLN A 31 16.095 1.972 -1.064 1.00 0.00 O ATOM 467 NE2 GLN A 31 17.390 0.222 -0.662 1.00 0.00 N ATOM 0 H GLN A 31 13.986 -1.723 0.898 1.00 0.00 H new ATOM 0 HA GLN A 31 14.879 0.963 1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.942 -0.371 -0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.480 1.292 -0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.276 -1.178 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.790 -0.200 -2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.493 -0.791 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 31 18.188 0.828 -0.472 1.00 0.00 H new ATOM 476 N THR A 32 11.874 0.192 2.319 1.00 0.00 N ATOM 477 CA THR A 32 10.650 0.681 2.946 1.00 0.00 C ATOM 478 C THR A 32 10.188 -0.124 4.165 1.00 0.00 C ATOM 479 O THR A 32 9.364 0.381 4.926 1.00 0.00 O ATOM 480 CB THR A 32 9.527 0.763 1.891 1.00 0.00 C ATOM 481 OG1 THR A 32 9.600 -0.259 0.900 1.00 0.00 O ATOM 482 CG2 THR A 32 9.607 2.095 1.151 1.00 0.00 C ATOM 0 H THR A 32 11.954 -0.825 2.324 1.00 0.00 H new ATOM 0 HA THR A 32 10.884 1.672 3.336 1.00 0.00 H new ATOM 0 HB THR A 32 8.596 0.648 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.243 0.081 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.812 2.147 0.408 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.493 2.914 1.862 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.574 2.178 0.654 1.00 0.00 H new ATOM 490 N GLY A 33 10.689 -1.341 4.386 1.00 0.00 N ATOM 491 CA GLY A 33 10.241 -2.200 5.477 1.00 0.00 C ATOM 492 C GLY A 33 9.070 -3.110 5.098 1.00 0.00 C ATOM 493 O GLY A 33 8.445 -3.689 5.991 1.00 0.00 O ATOM 0 H GLY A 33 11.420 -1.758 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.076 -2.816 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.948 -1.577 6.322 1.00 0.00 H new ATOM 497 N LEU A 34 8.753 -3.218 3.803 1.00 0.00 N ATOM 498 CA LEU A 34 7.687 -4.073 3.277 1.00 0.00 C ATOM 499 C LEU A 34 8.257 -5.471 2.982 1.00 0.00 C ATOM 500 O LEU A 34 9.448 -5.696 3.202 1.00 0.00 O ATOM 501 CB LEU A 34 7.049 -3.429 2.029 1.00 0.00 C ATOM 502 CG LEU A 34 6.418 -2.043 2.285 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.100 -1.366 0.950 1.00 0.00 C ATOM 504 CD2 LEU A 34 5.145 -2.119 3.145 1.00 0.00 C ATOM 0 H LEU A 34 9.244 -2.699 3.075 1.00 0.00 H new ATOM 0 HA LEU A 34 6.895 -4.180 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.810 -3.332 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.282 -4.099 1.640 1.00 0.00 H new ATOM 0 HG LEU A 34 7.148 -1.456 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.655 -0.388 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.019 -1.244 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.400 -1.983 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.745 -1.116 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.401 -2.736 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.385 -2.560 4.113 1.00 0.00 H new ATOM 516 N TYR A 35 7.424 -6.406 2.514 1.00 0.00 N ATOM 517 CA TYR A 35 7.873 -7.642 1.873 1.00 0.00 C ATOM 518 C TYR A 35 7.237 -7.747 0.480 1.00 0.00 C ATOM 519 O TYR A 35 6.083 -7.343 0.296 1.00 0.00 O ATOM 520 CB TYR A 35 7.479 -8.879 2.702 1.00 0.00 C ATOM 521 CG TYR A 35 8.301 -9.132 3.951 1.00 0.00 C ATOM 522 CD1 TYR A 35 8.119 -8.331 5.091 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.242 -10.179 3.982 1.00 0.00 C ATOM 524 CE1 TYR A 35 8.893 -8.546 6.242 1.00 0.00 C ATOM 525 CE2 TYR A 35 10.019 -10.404 5.129 1.00 0.00 C ATOM 526 CZ TYR A 35 9.867 -9.569 6.256 1.00 0.00 C ATOM 527 OH TYR A 35 10.657 -9.732 7.348 1.00 0.00 O ATOM 0 H TYR A 35 6.409 -6.323 2.571 1.00 0.00 H new ATOM 0 HA TYR A 35 8.960 -7.612 1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.434 -8.778 2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.548 -9.758 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.379 -7.545 5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.367 -10.813 3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.744 -7.930 7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.732 -11.215 5.149 1.00 0.00 H new ATOM 0 HH TYR A 35 11.273 -10.479 7.197 1.00 0.00 H new ATOM 537 N TYR A 36 7.921 -8.386 -0.465 1.00 0.00 N ATOM 538 CA TYR A 36 7.492 -8.637 -1.836 1.00 0.00 C ATOM 539 C TYR A 36 7.410 -10.151 -2.082 1.00 0.00 C ATOM 540 O TYR A 36 8.189 -10.931 -1.515 1.00 0.00 O ATOM 541 CB TYR A 36 8.490 -7.935 -2.774 1.00 0.00 C ATOM 542 CG TYR A 36 8.396 -8.299 -4.247 1.00 0.00 C ATOM 543 CD1 TYR A 36 7.534 -7.598 -5.114 1.00 0.00 C ATOM 544 CD2 TYR A 36 9.204 -9.333 -4.755 1.00 0.00 C ATOM 545 CE1 TYR A 36 7.491 -7.915 -6.487 1.00 0.00 C ATOM 546 CE2 TYR A 36 9.147 -9.675 -6.115 1.00 0.00 C ATOM 547 CZ TYR A 36 8.300 -8.962 -6.990 1.00 0.00 C ATOM 548 OH TYR A 36 8.293 -9.290 -8.314 1.00 0.00 O ATOM 0 H TYR A 36 8.849 -8.766 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 36 6.496 -8.237 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.352 -6.858 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.500 -8.159 -2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 36 6.903 -6.813 -4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.872 -9.866 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 36 6.844 -7.362 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 36 9.753 -10.486 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 36 8.913 -10.033 -8.470 1.00 0.00 H new ATOM 558 N ASP A 37 6.512 -10.577 -2.975 1.00 0.00 N ATOM 559 CA ASP A 37 6.434 -11.964 -3.444 1.00 0.00 C ATOM 560 C ASP A 37 6.724 -12.013 -4.953 1.00 0.00 C ATOM 561 O ASP A 37 6.288 -11.132 -5.700 1.00 0.00 O ATOM 562 CB ASP A 37 5.037 -12.516 -3.149 1.00 0.00 C ATOM 563 CG ASP A 37 4.800 -13.952 -3.599 1.00 0.00 C ATOM 564 OD1 ASP A 37 4.830 -14.207 -4.816 1.00 0.00 O ATOM 565 OD2 ASP A 37 4.547 -14.828 -2.743 1.00 0.00 O ATOM 0 H ASP A 37 5.813 -9.965 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 37 7.174 -12.575 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.858 -12.454 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.300 -11.874 -3.632 1.00 0.00 H new ATOM 570 N PRO A 38 7.411 -13.056 -5.449 1.00 0.00 N ATOM 571 CA PRO A 38 7.838 -13.122 -6.841 1.00 0.00 C ATOM 572 C PRO A 38 6.762 -13.587 -7.824 1.00 0.00 C ATOM 573 O PRO A 38 6.891 -13.344 -9.030 1.00 0.00 O ATOM 574 CB PRO A 38 9.007 -14.107 -6.841 1.00 0.00 C ATOM 575 CG PRO A 38 8.630 -15.057 -5.700 1.00 0.00 C ATOM 576 CD PRO A 38 8.012 -14.129 -4.674 1.00 0.00 C ATOM 0 HA PRO A 38 8.095 -12.121 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.099 -14.630 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.959 -13.609 -6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.926 -15.822 -6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.502 -15.576 -5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.265 -14.647 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.765 -13.745 -3.986 1.00 0.00 H new ATOM 584 N ASN A 39 5.733 -14.303 -7.377 1.00 0.00 N ATOM 585 CA ASN A 39 4.514 -14.519 -8.123 1.00 0.00 C ATOM 586 C ASN A 39 3.663 -13.264 -8.038 1.00 0.00 C ATOM 587 O ASN A 39 3.069 -12.868 -9.042 1.00 0.00 O ATOM 588 CB ASN A 39 3.728 -15.682 -7.518 1.00 0.00 C ATOM 589 CG ASN A 39 4.314 -17.030 -7.878 1.00 0.00 C ATOM 590 OD1 ASN A 39 4.277 -17.417 -9.046 1.00 0.00 O ATOM 591 ND2 ASN A 39 4.858 -17.741 -6.907 1.00 0.00 N ATOM 0 H ASN A 39 5.732 -14.756 -6.463 1.00 0.00 H new ATOM 0 HA ASN A 39 4.762 -14.749 -9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.708 -15.577 -6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.695 -15.635 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.270 -18.651 -7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.866 -17.380 -5.953 1.00 0.00 H new ATOM 598 N SER A 40 3.613 -12.645 -6.861 1.00 0.00 N ATOM 599 CA SER A 40 2.534 -11.764 -6.453 1.00 0.00 C ATOM 600 C SER A 40 3.082 -10.397 -6.050 1.00 0.00 C ATOM 601 O SER A 40 3.466 -10.162 -4.914 1.00 0.00 O ATOM 602 CB SER A 40 1.719 -12.452 -5.349 1.00 0.00 C ATOM 603 OG SER A 40 1.233 -13.711 -5.799 1.00 0.00 O ATOM 0 H SER A 40 4.340 -12.747 -6.153 1.00 0.00 H new ATOM 0 HA SER A 40 1.856 -11.574 -7.286 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.339 -12.591 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.883 -11.817 -5.056 1.00 0.00 H new ATOM 0 HG SER A 40 0.717 -14.137 -5.083 1.00 0.00 H new ATOM 609 N GLN A 41 3.071 -9.452 -6.990 1.00 0.00 N ATOM 610 CA GLN A 41 3.652 -8.106 -6.863 1.00 0.00 C ATOM 611 C GLN A 41 3.001 -7.247 -5.761 1.00 0.00 C ATOM 612 O GLN A 41 3.307 -6.063 -5.632 1.00 0.00 O ATOM 613 CB GLN A 41 3.570 -7.369 -8.208 1.00 0.00 C ATOM 614 CG GLN A 41 4.385 -8.050 -9.312 1.00 0.00 C ATOM 615 CD GLN A 41 3.775 -9.366 -9.779 1.00 0.00 C ATOM 616 OE1 GLN A 41 2.612 -9.433 -10.175 1.00 0.00 O ATOM 617 NE2 GLN A 41 4.499 -10.460 -9.628 1.00 0.00 N ATOM 0 H GLN A 41 2.640 -9.605 -7.901 1.00 0.00 H new ATOM 0 HA GLN A 41 4.691 -8.252 -6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.527 -7.307 -8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.926 -6.347 -8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.470 -7.374 -10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.396 -8.234 -8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.462 -10.393 -9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.095 -11.372 -9.840 1.00 0.00 H new ATOM 626 N TYR A 42 2.062 -7.808 -5.006 1.00 0.00 N ATOM 627 CA TYR A 42 1.348 -7.153 -3.943 1.00 0.00 C ATOM 628 C TYR A 42 2.245 -7.132 -2.710 1.00 0.00 C ATOM 629 O TYR A 42 2.404 -8.124 -1.996 1.00 0.00 O ATOM 630 CB TYR A 42 -0.011 -7.828 -3.746 1.00 0.00 C ATOM 631 CG TYR A 42 -0.784 -7.961 -5.051 1.00 0.00 C ATOM 632 CD1 TYR A 42 -0.976 -6.831 -5.871 1.00 0.00 C ATOM 633 CD2 TYR A 42 -1.220 -9.223 -5.496 1.00 0.00 C ATOM 634 CE1 TYR A 42 -1.594 -6.956 -7.124 1.00 0.00 C ATOM 635 CE2 TYR A 42 -1.868 -9.355 -6.737 1.00 0.00 C ATOM 636 CZ TYR A 42 -2.053 -8.220 -7.558 1.00 0.00 C ATOM 637 OH TYR A 42 -2.626 -8.350 -8.783 1.00 0.00 O ATOM 0 H TYR A 42 1.773 -8.778 -5.134 1.00 0.00 H new ATOM 0 HA TYR A 42 1.117 -6.114 -4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.136 -8.817 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.601 -7.251 -3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.645 -5.861 -5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.056 -10.095 -4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.719 -6.089 -7.755 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.223 -10.322 -7.062 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.885 -9.284 -8.926 1.00 0.00 H new ATOM 647 N TYR A 43 2.891 -5.990 -2.513 1.00 0.00 N ATOM 648 CA TYR A 43 3.766 -5.697 -1.401 1.00 0.00 C ATOM 649 C TYR A 43 2.979 -5.838 -0.097 1.00 0.00 C ATOM 650 O TYR A 43 1.983 -5.150 0.123 1.00 0.00 O ATOM 651 CB TYR A 43 4.304 -4.271 -1.550 1.00 0.00 C ATOM 652 CG TYR A 43 5.408 -4.131 -2.575 1.00 0.00 C ATOM 653 CD1 TYR A 43 5.131 -4.055 -3.952 1.00 0.00 C ATOM 654 CD2 TYR A 43 6.738 -4.103 -2.135 1.00 0.00 C ATOM 655 CE1 TYR A 43 6.178 -3.940 -4.884 1.00 0.00 C ATOM 656 CE2 TYR A 43 7.792 -3.988 -3.053 1.00 0.00 C ATOM 657 CZ TYR A 43 7.516 -3.896 -4.435 1.00 0.00 C ATOM 658 OH TYR A 43 8.532 -3.767 -5.331 1.00 0.00 O ATOM 0 H TYR A 43 2.810 -5.207 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 43 4.606 -6.392 -1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.482 -3.611 -1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.675 -3.931 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.108 -4.085 -4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.954 -4.171 -1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.959 -3.885 -5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.814 -3.970 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 43 9.326 -3.414 -4.877 1.00 0.00 H new ATOM 668 N TYR A 44 3.416 -6.729 0.778 1.00 0.00 N ATOM 669 CA TYR A 44 2.831 -6.942 2.085 1.00 0.00 C ATOM 670 C TYR A 44 3.320 -5.841 3.015 1.00 0.00 C ATOM 671 O TYR A 44 4.505 -5.493 3.025 1.00 0.00 O ATOM 672 CB TYR A 44 3.233 -8.330 2.578 1.00 0.00 C ATOM 673 CG TYR A 44 2.773 -8.663 3.980 1.00 0.00 C ATOM 674 CD1 TYR A 44 1.409 -8.901 4.240 1.00 0.00 C ATOM 675 CD2 TYR A 44 3.724 -8.811 5.007 1.00 0.00 C ATOM 676 CE1 TYR A 44 1.001 -9.352 5.508 1.00 0.00 C ATOM 677 CE2 TYR A 44 3.322 -9.255 6.274 1.00 0.00 C ATOM 678 CZ TYR A 44 1.967 -9.562 6.518 1.00 0.00 C ATOM 679 OH TYR A 44 1.608 -10.074 7.725 1.00 0.00 O ATOM 0 H TYR A 44 4.211 -7.340 0.590 1.00 0.00 H new ATOM 0 HA TYR A 44 1.742 -6.900 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.830 -9.075 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.319 -8.414 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.676 -8.737 3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.763 -8.583 4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.044 -9.537 5.709 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.050 -9.362 7.064 1.00 0.00 H new ATOM 0 HH TYR A 44 2.401 -10.152 8.296 1.00 0.00 H new ATOM 689 N ASN A 45 2.411 -5.327 3.835 1.00 0.00 N ATOM 690 CA ASN A 45 2.633 -4.346 4.882 1.00 0.00 C ATOM 691 C ASN A 45 2.293 -5.013 6.204 1.00 0.00 C ATOM 692 O ASN A 45 1.168 -4.898 6.684 1.00 0.00 O ATOM 693 CB ASN A 45 1.771 -3.105 4.643 1.00 0.00 C ATOM 694 CG ASN A 45 1.835 -2.163 5.842 1.00 0.00 C ATOM 695 OD1 ASN A 45 0.713 -1.895 6.479 1.00 0.00 O flip ATOM 696 ND2 ASN A 45 2.884 -1.644 6.203 1.00 0.00 N flip ATOM 0 H ASN A 45 1.432 -5.607 3.779 1.00 0.00 H new ATOM 0 HA ASN A 45 3.670 -4.011 4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.113 -2.586 3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.738 -3.403 4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.752 -1.852 5.710 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.889 -1.004 6.997 1.00 0.00 H new ATOM 703 N ALA A 46 3.272 -5.711 6.774 1.00 0.00 N ATOM 704 CA ALA A 46 3.238 -6.413 8.050 1.00 0.00 C ATOM 705 C ALA A 46 2.603 -5.559 9.150 1.00 0.00 C ATOM 706 O ALA A 46 1.786 -6.064 9.916 1.00 0.00 O ATOM 707 CB ALA A 46 4.668 -6.805 8.442 1.00 0.00 C ATOM 0 H ALA A 46 4.180 -5.807 6.318 1.00 0.00 H new ATOM 0 HA ALA A 46 2.622 -7.306 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.652 -7.331 9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.090 -7.455 7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.279 -5.907 8.533 1.00 0.00 H new ATOM 713 N GLN A 47 2.918 -4.259 9.163 1.00 0.00 N ATOM 714 CA GLN A 47 2.448 -3.245 10.095 1.00 0.00 C ATOM 715 C GLN A 47 0.944 -3.335 10.356 1.00 0.00 C ATOM 716 O GLN A 47 0.490 -3.207 11.492 1.00 0.00 O ATOM 717 CB GLN A 47 2.792 -1.879 9.474 1.00 0.00 C ATOM 718 CG GLN A 47 3.263 -0.870 10.516 1.00 0.00 C ATOM 719 CD GLN A 47 3.443 0.558 9.977 1.00 0.00 C ATOM 720 OE1 GLN A 47 3.302 0.775 8.679 1.00 0.00 O flip ATOM 721 NE2 GLN A 47 3.710 1.500 10.721 1.00 0.00 N flip ATOM 0 H GLN A 47 3.555 -3.866 8.469 1.00 0.00 H new ATOM 0 HA GLN A 47 2.932 -3.391 11.061 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.570 -2.010 8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.915 -1.485 8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.544 -0.849 11.335 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.211 -1.211 10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.821 1.343 11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.821 2.438 10.336 1.00 0.00 H new ATOM 730 N SER A 48 0.182 -3.569 9.293 1.00 0.00 N ATOM 731 CA SER A 48 -1.269 -3.627 9.292 1.00 0.00 C ATOM 732 C SER A 48 -1.736 -4.907 8.592 1.00 0.00 C ATOM 733 O SER A 48 -2.881 -4.988 8.163 1.00 0.00 O ATOM 734 CB SER A 48 -1.807 -2.365 8.611 1.00 0.00 C ATOM 735 OG SER A 48 -1.116 -1.203 9.045 1.00 0.00 O ATOM 0 H SER A 48 0.581 -3.730 8.368 1.00 0.00 H new ATOM 0 HA SER A 48 -1.657 -3.659 10.310 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.710 -2.464 7.530 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.870 -2.259 8.827 1.00 0.00 H new ATOM 0 HG SER A 48 -1.482 -0.416 8.590 1.00 0.00 H new ATOM 741 N GLN A 49 -0.819 -5.860 8.378 1.00 0.00 N ATOM 742 CA GLN A 49 -0.950 -7.103 7.614 1.00 0.00 C ATOM 743 C GLN A 49 -1.665 -6.933 6.257 1.00 0.00 C ATOM 744 O GLN A 49 -2.340 -7.832 5.753 1.00 0.00 O ATOM 745 CB GLN A 49 -1.315 -8.303 8.504 1.00 0.00 C ATOM 746 CG GLN A 49 -2.253 -7.914 9.636 1.00 0.00 C ATOM 747 CD GLN A 49 -2.717 -9.100 10.475 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.941 -10.007 10.780 1.00 0.00 O ATOM 749 NE2 GLN A 49 -3.961 -9.092 10.912 1.00 0.00 N ATOM 0 H GLN A 49 0.117 -5.770 8.772 1.00 0.00 H new ATOM 0 HA GLN A 49 0.039 -7.392 7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.784 -9.076 7.895 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.405 -8.734 8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.750 -7.195 10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.125 -7.411 9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.589 -8.333 10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.295 -9.845 11.513 1.00 0.00 H new ATOM 758 N GLN A 50 -1.501 -5.748 5.672 1.00 0.00 N ATOM 759 CA GLN A 50 -2.211 -5.229 4.517 1.00 0.00 C ATOM 760 C GLN A 50 -1.473 -5.583 3.228 1.00 0.00 C ATOM 761 O GLN A 50 -0.282 -5.891 3.261 1.00 0.00 O ATOM 762 CB GLN A 50 -2.325 -3.699 4.711 1.00 0.00 C ATOM 763 CG GLN A 50 -3.688 -3.071 4.401 1.00 0.00 C ATOM 764 CD GLN A 50 -4.886 -3.823 4.976 1.00 0.00 C ATOM 765 OE1 GLN A 50 -5.938 -3.869 4.344 1.00 0.00 O ATOM 766 NE2 GLN A 50 -4.785 -4.402 6.158 1.00 0.00 N ATOM 0 H GLN A 50 -0.815 -5.080 6.024 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.204 -5.671 4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.069 -3.466 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.577 -3.218 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.698 -2.051 4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.804 -3.005 3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.906 -4.358 6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.586 -4.894 6.555 1.00 0.00 H new ATOM 775 N TYR A 51 -2.164 -5.489 2.090 1.00 0.00 N ATOM 776 CA TYR A 51 -1.594 -5.665 0.759 1.00 0.00 C ATOM 777 C TYR A 51 -1.578 -4.322 0.046 1.00 0.00 C ATOM 778 O TYR A 51 -2.577 -3.600 0.000 1.00 0.00 O ATOM 779 CB TYR A 51 -2.409 -6.686 -0.054 1.00 0.00 C ATOM 780 CG TYR A 51 -2.018 -8.143 0.124 1.00 0.00 C ATOM 781 CD1 TYR A 51 -1.757 -8.677 1.401 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.924 -8.981 -1.005 1.00 0.00 C ATOM 783 CE1 TYR A 51 -1.373 -10.020 1.546 1.00 0.00 C ATOM 784 CE2 TYR A 51 -1.538 -10.325 -0.869 1.00 0.00 C ATOM 785 CZ TYR A 51 -1.261 -10.849 0.411 1.00 0.00 C ATOM 786 OH TYR A 51 -1.023 -12.173 0.572 1.00 0.00 O ATOM 0 H TYR A 51 -3.163 -5.283 2.072 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.577 -6.045 0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.460 -6.577 0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.321 -6.433 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.853 -8.049 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.151 -8.586 -1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.163 -10.418 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.454 -10.955 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.974 -12.606 -0.306 1.00 0.00 H new ATOM 796 N LEU A 52 -0.433 -3.999 -0.535 1.00 0.00 N ATOM 797 CA LEU A 52 -0.133 -2.772 -1.244 1.00 0.00 C ATOM 798 C LEU A 52 0.447 -3.138 -2.606 1.00 0.00 C ATOM 799 O LEU A 52 0.640 -4.310 -2.910 1.00 0.00 O ATOM 800 CB LEU A 52 0.877 -1.927 -0.449 1.00 0.00 C ATOM 801 CG LEU A 52 0.511 -1.637 1.017 1.00 0.00 C ATOM 802 CD1 LEU A 52 1.663 -0.848 1.627 1.00 0.00 C ATOM 803 CD2 LEU A 52 -0.771 -0.818 1.188 1.00 0.00 C ATOM 0 H LEU A 52 0.365 -4.634 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.042 -2.183 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.840 -2.436 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.009 -0.976 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 52 0.337 -2.596 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.438 -0.623 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.578 -1.438 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.798 0.083 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.960 -0.656 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.657 0.144 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.609 -1.358 0.748 1.00 0.00 H new ATOM 815 N TYR A 53 0.754 -2.148 -3.431 1.00 0.00 N ATOM 816 CA TYR A 53 1.551 -2.284 -4.635 1.00 0.00 C ATOM 817 C TYR A 53 2.492 -1.084 -4.679 1.00 0.00 C ATOM 818 O TYR A 53 2.152 -0.006 -4.177 1.00 0.00 O ATOM 819 CB TYR A 53 0.664 -2.426 -5.887 1.00 0.00 C ATOM 820 CG TYR A 53 -0.273 -1.276 -6.241 1.00 0.00 C ATOM 821 CD1 TYR A 53 -1.394 -0.993 -5.440 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.071 -0.525 -7.414 1.00 0.00 C ATOM 823 CE1 TYR A 53 -2.312 0.007 -5.797 1.00 0.00 C ATOM 824 CE2 TYR A 53 -0.983 0.484 -7.780 1.00 0.00 C ATOM 825 CZ TYR A 53 -2.117 0.752 -6.980 1.00 0.00 C ATOM 826 OH TYR A 53 -2.981 1.762 -7.292 1.00 0.00 O ATOM 0 H TYR A 53 0.441 -1.191 -3.271 1.00 0.00 H new ATOM 0 HA TYR A 53 2.142 -3.200 -4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.319 -2.597 -6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.058 -3.324 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.552 -1.556 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.788 -0.724 -8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.167 0.206 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.814 1.058 -8.679 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.708 2.177 -8.137 1.00 0.00 H new ATOM 836 N TRP A 54 3.684 -1.277 -5.248 1.00 0.00 N ATOM 837 CA TRP A 54 4.513 -0.169 -5.692 1.00 0.00 C ATOM 838 C TRP A 54 3.822 0.383 -6.926 1.00 0.00 C ATOM 839 O TRP A 54 3.383 -0.393 -7.778 1.00 0.00 O ATOM 840 CB TRP A 54 5.933 -0.636 -6.051 1.00 0.00 C ATOM 841 CG TRP A 54 6.770 0.376 -6.787 1.00 0.00 C ATOM 842 CD1 TRP A 54 7.284 0.219 -8.028 1.00 0.00 C ATOM 843 CD2 TRP A 54 7.118 1.738 -6.395 1.00 0.00 C ATOM 844 NE1 TRP A 54 7.957 1.364 -8.410 1.00 0.00 N ATOM 845 CE2 TRP A 54 7.866 2.346 -7.448 1.00 0.00 C ATOM 846 CE3 TRP A 54 6.845 2.531 -5.264 1.00 0.00 C ATOM 847 CZ2 TRP A 54 8.335 3.668 -7.373 1.00 0.00 C ATOM 848 CZ3 TRP A 54 7.272 3.867 -5.194 1.00 0.00 C ATOM 849 CH2 TRP A 54 8.025 4.434 -6.237 1.00 0.00 C ATOM 0 H TRP A 54 4.093 -2.197 -5.410 1.00 0.00 H new ATOM 0 HA TRP A 54 4.621 0.577 -4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.450 -0.914 -5.133 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.860 -1.537 -6.661 1.00 0.00 H new ATOM 0 HD1 TRP A 54 7.183 -0.671 -8.632 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.458 1.469 -9.292 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.298 2.105 -4.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.924 4.088 -8.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.019 4.465 -4.331 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.365 5.457 -6.165 1.00 0.00 H new ATOM 860 N ASP A 55 3.738 1.704 -7.037 1.00 0.00 N ATOM 861 CA ASP A 55 3.131 2.342 -8.187 1.00 0.00 C ATOM 862 C ASP A 55 4.064 3.422 -8.695 1.00 0.00 C ATOM 863 O ASP A 55 4.087 4.538 -8.173 1.00 0.00 O ATOM 864 CB ASP A 55 1.750 2.879 -7.837 1.00 0.00 C ATOM 865 CG ASP A 55 1.043 3.330 -9.107 1.00 0.00 C ATOM 866 OD1 ASP A 55 0.988 2.537 -10.077 1.00 0.00 O ATOM 867 OD2 ASP A 55 0.465 4.437 -9.105 1.00 0.00 O ATOM 0 H ASP A 55 4.088 2.355 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 55 2.982 1.616 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.164 2.108 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.838 3.714 -7.141 1.00 0.00 H new ATOM 872 N GLY A 56 4.870 3.076 -9.695 1.00 0.00 N ATOM 873 CA GLY A 56 5.855 3.960 -10.292 1.00 0.00 C ATOM 874 C GLY A 56 5.217 5.068 -11.128 1.00 0.00 C ATOM 875 O GLY A 56 5.937 5.961 -11.575 1.00 0.00 O ATOM 0 H GLY A 56 4.852 2.149 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.462 4.407 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.528 3.377 -10.921 1.00 0.00 H new ATOM 879 N GLU A 57 3.893 5.065 -11.326 1.00 0.00 N ATOM 880 CA GLU A 57 3.184 6.149 -11.982 1.00 0.00 C ATOM 881 C GLU A 57 3.171 7.329 -11.012 1.00 0.00 C ATOM 882 O GLU A 57 3.682 8.410 -11.306 1.00 0.00 O ATOM 883 CB GLU A 57 1.748 5.730 -12.335 1.00 0.00 C ATOM 884 CG GLU A 57 1.648 4.439 -13.158 1.00 0.00 C ATOM 885 CD GLU A 57 0.199 4.068 -13.468 1.00 0.00 C ATOM 886 OE1 GLU A 57 -0.616 4.975 -13.760 1.00 0.00 O ATOM 887 OE2 GLU A 57 -0.139 2.862 -13.458 1.00 0.00 O ATOM 0 H GLU A 57 3.287 4.300 -11.030 1.00 0.00 H new ATOM 0 HA GLU A 57 3.679 6.418 -12.915 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.183 5.603 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.273 6.538 -12.891 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.199 4.560 -14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.122 3.623 -12.612 1.00 0.00 H new ATOM 894 N ARG A 58 2.596 7.095 -9.829 1.00 0.00 N ATOM 895 CA ARG A 58 2.462 8.065 -8.749 1.00 0.00 C ATOM 896 C ARG A 58 3.738 8.213 -7.933 1.00 0.00 C ATOM 897 O ARG A 58 3.894 9.222 -7.243 1.00 0.00 O ATOM 898 CB ARG A 58 1.326 7.592 -7.842 1.00 0.00 C ATOM 899 CG ARG A 58 -0.025 7.676 -8.558 1.00 0.00 C ATOM 900 CD ARG A 58 -1.126 7.234 -7.594 1.00 0.00 C ATOM 901 NE ARG A 58 -2.449 7.662 -8.063 1.00 0.00 N ATOM 902 CZ ARG A 58 -3.129 8.766 -7.728 1.00 0.00 C ATOM 903 NH1 ARG A 58 -2.637 9.657 -6.868 1.00 0.00 N ATOM 904 NH2 ARG A 58 -4.323 8.970 -8.268 1.00 0.00 N ATOM 0 H ARG A 58 2.196 6.187 -9.592 1.00 0.00 H new ATOM 0 HA ARG A 58 2.253 9.043 -9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.511 6.565 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.300 8.201 -6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.209 8.695 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.022 7.041 -9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.108 6.149 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.936 7.651 -6.605 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.909 7.040 -8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.720 9.507 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.177 10.489 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.708 8.292 -8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.857 9.805 -8.026 1.00 0.00 H new ATOM 918 N ARG A 59 4.641 7.235 -8.023 1.00 0.00 N ATOM 919 CA ARG A 59 5.869 7.098 -7.249 1.00 0.00 C ATOM 920 C ARG A 59 5.536 7.112 -5.762 1.00 0.00 C ATOM 921 O ARG A 59 6.018 7.961 -5.008 1.00 0.00 O ATOM 922 CB ARG A 59 6.904 8.140 -7.703 1.00 0.00 C ATOM 923 CG ARG A 59 7.266 7.953 -9.186 1.00 0.00 C ATOM 924 CD ARG A 59 8.032 9.159 -9.741 1.00 0.00 C ATOM 925 NE ARG A 59 8.448 8.924 -11.130 1.00 0.00 N ATOM 926 CZ ARG A 59 8.981 9.806 -11.980 1.00 0.00 C ATOM 927 NH1 ARG A 59 8.967 11.113 -11.734 1.00 0.00 N ATOM 928 NH2 ARG A 59 9.557 9.362 -13.084 1.00 0.00 N ATOM 0 H ARG A 59 4.523 6.467 -8.684 1.00 0.00 H new ATOM 0 HA ARG A 59 6.346 6.136 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.507 9.143 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.803 8.054 -7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.871 7.054 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.356 7.802 -9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.403 10.048 -9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.909 9.354 -9.123 1.00 0.00 H new ATOM 0 HE ARG A 59 8.314 7.978 -11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.541 11.466 -10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.382 11.762 -12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.589 8.361 -13.275 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.969 10.021 -13.745 1.00 0.00 H new ATOM 942 N THR A 60 4.702 6.160 -5.347 1.00 0.00 N ATOM 943 CA THR A 60 4.327 5.919 -3.962 1.00 0.00 C ATOM 944 C THR A 60 3.897 4.448 -3.820 1.00 0.00 C ATOM 945 O THR A 60 3.953 3.692 -4.794 1.00 0.00 O ATOM 946 CB THR A 60 3.253 6.941 -3.545 1.00 0.00 C ATOM 947 OG1 THR A 60 3.148 6.948 -2.144 1.00 0.00 O ATOM 948 CG2 THR A 60 1.869 6.689 -4.154 1.00 0.00 C ATOM 0 H THR A 60 4.254 5.512 -5.995 1.00 0.00 H new ATOM 0 HA THR A 60 5.163 6.066 -3.278 1.00 0.00 H new ATOM 0 HB THR A 60 3.582 7.906 -3.931 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.035 7.084 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.174 7.454 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.938 6.726 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.509 5.707 -3.846 1.00 0.00 H new ATOM 956 N TYR A 61 3.468 4.039 -2.623 1.00 0.00 N ATOM 957 CA TYR A 61 2.880 2.728 -2.363 1.00 0.00 C ATOM 958 C TYR A 61 1.404 2.912 -2.006 1.00 0.00 C ATOM 959 O TYR A 61 1.037 3.761 -1.183 1.00 0.00 O ATOM 960 CB TYR A 61 3.636 2.000 -1.250 1.00 0.00 C ATOM 961 CG TYR A 61 5.000 1.471 -1.638 1.00 0.00 C ATOM 962 CD1 TYR A 61 6.139 2.276 -1.460 1.00 0.00 C ATOM 963 CD2 TYR A 61 5.139 0.148 -2.101 1.00 0.00 C ATOM 964 CE1 TYR A 61 7.420 1.734 -1.662 1.00 0.00 C ATOM 965 CE2 TYR A 61 6.419 -0.399 -2.300 1.00 0.00 C ATOM 966 CZ TYR A 61 7.566 0.377 -2.027 1.00 0.00 C ATOM 967 OH TYR A 61 8.797 -0.201 -2.044 1.00 0.00 O ATOM 0 H TYR A 61 3.522 4.626 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 61 2.958 2.109 -3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.754 2.681 -0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.026 1.166 -0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.030 3.310 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.261 -0.447 -2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.294 2.356 -1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.524 -1.411 -2.661 1.00 0.00 H new ATOM 0 HH TYR A 61 8.714 -1.139 -2.317 1.00 0.00 H new ATOM 977 N VAL A 62 0.545 2.151 -2.670 1.00 0.00 N ATOM 978 CA VAL A 62 -0.914 2.258 -2.639 1.00 0.00 C ATOM 979 C VAL A 62 -1.545 0.905 -2.278 1.00 0.00 C ATOM 980 O VAL A 62 -0.898 -0.113 -2.501 1.00 0.00 O ATOM 981 CB VAL A 62 -1.411 2.858 -3.980 1.00 0.00 C ATOM 982 CG1 VAL A 62 -1.619 4.367 -3.843 1.00 0.00 C ATOM 983 CG2 VAL A 62 -0.420 2.701 -5.153 1.00 0.00 C ATOM 0 H VAL A 62 0.862 1.398 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.235 2.942 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.326 2.306 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.968 4.774 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.361 4.563 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.676 4.841 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.846 3.147 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.516 3.202 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.230 1.642 -5.329 1.00 0.00 H new ATOM 993 N PRO A 63 -2.763 0.840 -1.705 1.00 0.00 N ATOM 994 CA PRO A 63 -3.390 -0.422 -1.310 1.00 0.00 C ATOM 995 C PRO A 63 -3.919 -1.183 -2.529 1.00 0.00 C ATOM 996 O PRO A 63 -4.714 -0.639 -3.297 1.00 0.00 O ATOM 997 CB PRO A 63 -4.515 -0.053 -0.344 1.00 0.00 C ATOM 998 CG PRO A 63 -4.854 1.396 -0.693 1.00 0.00 C ATOM 999 CD PRO A 63 -3.554 1.972 -1.250 1.00 0.00 C ATOM 0 HA PRO A 63 -2.672 -1.089 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.379 -0.705 -0.472 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.195 -0.148 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.658 1.449 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.188 1.948 0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.755 2.660 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.020 2.536 -0.485 1.00 0.00 H new ATOM 1007 N ALA A 64 -3.506 -2.443 -2.720 1.00 0.00 N ATOM 1008 CA ALA A 64 -3.733 -3.149 -3.986 1.00 0.00 C ATOM 1009 C ALA A 64 -5.080 -3.857 -4.123 1.00 0.00 C ATOM 1010 O ALA A 64 -5.245 -4.683 -5.022 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.603 -4.152 -4.254 1.00 0.00 C ATOM 0 H ALA A 64 -3.014 -2.992 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.745 -2.355 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.789 -4.666 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.652 -3.622 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.564 -4.881 -3.445 1.00 0.00 H new ATOM 1017 N LEU A 65 -6.022 -3.535 -3.247 1.00 0.00 N ATOM 1018 CA LEU A 65 -7.258 -4.288 -3.098 1.00 0.00 C ATOM 1019 C LEU A 65 -8.250 -3.827 -4.171 1.00 0.00 C ATOM 1020 O LEU A 65 -8.283 -4.415 -5.254 1.00 0.00 O ATOM 1021 CB LEU A 65 -7.813 -4.164 -1.665 1.00 0.00 C ATOM 1022 CG LEU A 65 -6.991 -4.853 -0.556 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -5.715 -4.096 -0.166 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -7.854 -4.979 0.702 1.00 0.00 C ATOM 0 H LEU A 65 -5.948 -2.738 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.071 -5.351 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.899 -3.105 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.822 -4.577 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.692 -5.821 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.193 -4.643 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.066 -4.003 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.978 -3.103 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.279 -5.465 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.159 -3.987 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.739 -5.575 0.478 1.00 0.00 H new ATOM 1036 N GLU A 66 -9.006 -2.754 -3.916 1.00 0.00 N ATOM 1037 CA GLU A 66 -9.943 -2.195 -4.891 1.00 0.00 C ATOM 1038 C GLU A 66 -9.192 -1.614 -6.086 1.00 0.00 C ATOM 1039 O GLU A 66 -9.605 -1.820 -7.227 1.00 0.00 O ATOM 1040 CB GLU A 66 -10.795 -1.087 -4.244 1.00 0.00 C ATOM 1041 CG GLU A 66 -12.033 -1.638 -3.529 1.00 0.00 C ATOM 1042 CD GLU A 66 -12.651 -0.604 -2.582 1.00 0.00 C ATOM 1043 OE1 GLU A 66 -12.096 -0.403 -1.480 1.00 0.00 O ATOM 1044 OE2 GLU A 66 -13.680 0.011 -2.954 1.00 0.00 O ATOM 0 H GLU A 66 -8.984 -2.251 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.593 -3.001 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.184 -0.534 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.108 -0.379 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.774 -1.943 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.760 -2.530 -2.965 1.00 0.00 H new ATOM 1051 N GLN A 67 -8.124 -0.843 -5.833 1.00 0.00 N ATOM 1052 CA GLN A 67 -7.480 0.011 -6.835 1.00 0.00 C ATOM 1053 C GLN A 67 -8.531 0.854 -7.582 1.00 0.00 C ATOM 1054 O GLN A 67 -8.442 1.050 -8.794 1.00 0.00 O ATOM 1055 CB GLN A 67 -6.531 -0.825 -7.726 1.00 0.00 C ATOM 1056 CG GLN A 67 -5.376 -1.384 -6.892 1.00 0.00 C ATOM 1057 CD GLN A 67 -4.312 -2.091 -7.730 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -3.645 -1.495 -8.575 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -4.081 -3.372 -7.483 1.00 0.00 N ATOM 0 H GLN A 67 -7.680 -0.796 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.833 0.745 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.083 -1.643 -8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.140 -0.206 -8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.910 -0.569 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.773 -2.084 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.635 -3.864 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.349 -3.866 -7.994 1.00 0.00 H new ATOM 1068 N SER A 68 -9.569 1.292 -6.864 1.00 0.00 N ATOM 1069 CA SER A 68 -10.691 2.084 -7.353 1.00 0.00 C ATOM 1070 C SER A 68 -11.486 2.578 -6.132 1.00 0.00 C ATOM 1071 O SER A 68 -12.702 2.392 -6.013 1.00 0.00 O ATOM 1072 CB SER A 68 -11.545 1.226 -8.283 1.00 0.00 C ATOM 1073 OG SER A 68 -12.210 2.034 -9.234 1.00 0.00 O ATOM 0 H SER A 68 -9.649 1.089 -5.868 1.00 0.00 H new ATOM 0 HA SER A 68 -10.353 2.948 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.916 0.497 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.275 0.665 -7.700 1.00 0.00 H new ATOM 0 HG SER A 68 -12.751 1.468 -9.823 1.00 0.00 H new ATOM 1079 N ALA A 69 -10.760 3.138 -5.173 1.00 0.00 N ATOM 1080 CA ALA A 69 -11.246 3.567 -3.870 1.00 0.00 C ATOM 1081 C ALA A 69 -10.771 4.984 -3.560 1.00 0.00 C ATOM 1082 O ALA A 69 -9.672 5.387 -3.940 1.00 0.00 O ATOM 1083 CB ALA A 69 -10.744 2.596 -2.796 1.00 0.00 C ATOM 0 H ALA A 69 -9.762 3.314 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.336 3.567 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.107 2.915 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.114 1.593 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.654 2.588 -2.794 1.00 0.00 H new ATOM 1089 N ASP A 70 -11.584 5.732 -2.810 1.00 0.00 N ATOM 1090 CA ASP A 70 -11.200 7.062 -2.341 1.00 0.00 C ATOM 1091 C ASP A 70 -10.063 6.976 -1.323 1.00 0.00 C ATOM 1092 O ASP A 70 -9.071 7.694 -1.452 1.00 0.00 O ATOM 1093 CB ASP A 70 -12.382 7.807 -1.717 1.00 0.00 C ATOM 1094 CG ASP A 70 -11.950 9.237 -1.390 1.00 0.00 C ATOM 1095 OD1 ASP A 70 -11.443 9.501 -0.282 1.00 0.00 O ATOM 1096 OD2 ASP A 70 -12.083 10.101 -2.287 1.00 0.00 O ATOM 0 H ASP A 70 -12.515 5.436 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.862 7.619 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.227 7.817 -2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.714 7.297 -0.812 1.00 0.00 H new ATOM 1101 N GLY A 71 -10.198 6.082 -0.343 1.00 0.00 N ATOM 1102 CA GLY A 71 -9.291 5.912 0.780 1.00 0.00 C ATOM 1103 C GLY A 71 -8.811 4.470 0.855 1.00 0.00 C ATOM 1104 O GLY A 71 -8.960 3.719 -0.110 1.00 0.00 O ATOM 0 H GLY A 71 -10.981 5.429 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.438 6.582 0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.794 6.184 1.708 1.00 0.00 H new ATOM 1108 N HIS A 72 -8.209 4.103 1.987 1.00 0.00 N ATOM 1109 CA HIS A 72 -7.609 2.789 2.205 1.00 0.00 C ATOM 1110 C HIS A 72 -8.633 1.654 2.034 1.00 0.00 C ATOM 1111 O HIS A 72 -8.465 0.785 1.177 1.00 0.00 O ATOM 1112 CB HIS A 72 -6.929 2.762 3.590 1.00 0.00 C ATOM 1113 CG HIS A 72 -5.556 2.148 3.561 1.00 0.00 C ATOM 1114 ND1 HIS A 72 -5.230 0.851 3.883 1.00 0.00 N ATOM 1115 CD2 HIS A 72 -4.401 2.795 3.216 1.00 0.00 C ATOM 1116 CE1 HIS A 72 -3.908 0.714 3.705 1.00 0.00 C ATOM 1117 NE2 HIS A 72 -3.357 1.869 3.300 1.00 0.00 N ATOM 0 H HIS A 72 -8.124 4.723 2.792 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.849 2.617 1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.857 3.780 3.973 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.556 2.203 4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.312 3.833 2.931 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.360 -0.203 3.866 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.372 2.038 3.094 1.00 0.00 H new ATOM 1125 N LYS A 73 -9.701 1.691 2.848 1.00 0.00 N ATOM 1126 CA LYS A 73 -10.689 0.617 3.028 1.00 0.00 C ATOM 1127 C LYS A 73 -10.021 -0.742 3.291 1.00 0.00 C ATOM 1128 O LYS A 73 -8.828 -0.805 3.585 1.00 0.00 O ATOM 1129 CB LYS A 73 -11.672 0.607 1.843 1.00 0.00 C ATOM 1130 CG LYS A 73 -12.503 1.894 1.795 1.00 0.00 C ATOM 1131 CD LYS A 73 -13.545 1.810 0.680 1.00 0.00 C ATOM 1132 CE LYS A 73 -14.361 3.101 0.669 1.00 0.00 C ATOM 1133 NZ LYS A 73 -15.361 3.093 -0.413 1.00 0.00 N ATOM 0 H LYS A 73 -9.907 2.507 3.424 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.273 0.817 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.119 0.494 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.336 -0.254 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.998 2.052 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.850 2.751 1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.056 1.665 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.198 0.952 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.862 3.225 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.694 3.954 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.745 4.052 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.912 2.781 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.133 2.441 -0.168 1.00 0.00 H new ATOM 1147 N GLU A 74 -10.792 -1.825 3.297 1.00 0.00 N ATOM 1148 CA GLU A 74 -10.304 -3.196 3.377 1.00 0.00 C ATOM 1149 C GLU A 74 -11.060 -4.013 2.330 1.00 0.00 C ATOM 1150 O GLU A 74 -11.854 -3.482 1.546 1.00 0.00 O ATOM 1151 CB GLU A 74 -10.472 -3.759 4.806 1.00 0.00 C ATOM 1152 CG GLU A 74 -9.468 -3.140 5.795 1.00 0.00 C ATOM 1153 CD GLU A 74 -9.512 -3.739 7.207 1.00 0.00 C ATOM 1154 OE1 GLU A 74 -10.559 -4.297 7.607 1.00 0.00 O ATOM 1155 OE2 GLU A 74 -8.508 -3.610 7.953 1.00 0.00 O ATOM 0 H GLU A 74 -11.809 -1.769 3.244 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.236 -3.243 3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.487 -3.567 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.341 -4.841 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.462 -3.261 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.658 -2.069 5.863 1.00 0.00 H new ATOM 1162 N THR A 75 -10.808 -5.318 2.283 1.00 0.00 N ATOM 1163 CA THR A 75 -11.422 -6.219 1.323 1.00 0.00 C ATOM 1164 C THR A 75 -12.952 -6.182 1.418 1.00 0.00 C ATOM 1165 O THR A 75 -13.650 -6.182 0.404 1.00 0.00 O ATOM 1166 CB THR A 75 -10.888 -7.637 1.555 1.00 0.00 C ATOM 1167 OG1 THR A 75 -9.575 -7.663 2.092 1.00 0.00 O ATOM 1168 CG2 THR A 75 -10.856 -8.364 0.220 1.00 0.00 C ATOM 0 H THR A 75 -10.162 -5.782 2.921 1.00 0.00 H new ATOM 0 HA THR A 75 -11.161 -5.895 0.315 1.00 0.00 H new ATOM 0 HB THR A 75 -11.552 -8.113 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.292 -8.593 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.478 -9.376 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.863 -8.409 -0.194 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.204 -7.829 -0.470 1.00 0.00 H new ATOM 1176 N GLY A 76 -13.467 -6.090 2.641 1.00 0.00 N ATOM 1177 CA GLY A 76 -14.882 -6.048 2.934 1.00 0.00 C ATOM 1178 C GLY A 76 -15.084 -5.310 4.247 1.00 0.00 C ATOM 1179 O GLY A 76 -15.490 -4.145 4.231 1.00 0.00 O ATOM 0 H GLY A 76 -12.885 -6.042 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.420 -5.545 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.284 -7.059 3.002 1.00 0.00 H new ATOM 1183 N ALA A 77 -14.744 -5.973 5.360 1.00 0.00 N ATOM 1184 CA ALA A 77 -14.989 -5.562 6.747 1.00 0.00 C ATOM 1185 C ALA A 77 -16.491 -5.356 7.046 1.00 0.00 C ATOM 1186 O ALA A 77 -17.303 -5.333 6.120 1.00 0.00 O ATOM 1187 CB ALA A 77 -14.116 -4.341 7.067 1.00 0.00 C ATOM 0 H ALA A 77 -14.259 -6.869 5.311 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.696 -6.367 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.291 -4.028 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.065 -4.602 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.371 -3.525 6.391 1.00 0.00 H new ATOM 1193 N PRO A 78 -16.925 -5.273 8.317 1.00 0.00 N ATOM 1194 CA PRO A 78 -18.304 -4.916 8.629 1.00 0.00 C ATOM 1195 C PRO A 78 -18.497 -3.423 8.360 1.00 0.00 C ATOM 1196 O PRO A 78 -17.833 -2.609 9.000 1.00 0.00 O ATOM 1197 CB PRO A 78 -18.505 -5.275 10.104 1.00 0.00 C ATOM 1198 CG PRO A 78 -17.101 -5.213 10.700 1.00 0.00 C ATOM 1199 CD PRO A 78 -16.184 -5.580 9.535 1.00 0.00 C ATOM 0 HA PRO A 78 -19.036 -5.445 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -19.178 -4.573 10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -18.942 -6.267 10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.876 -4.219 11.086 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -16.989 -5.911 11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.255 -5.012 9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -15.914 -6.636 9.570 1.00 0.00 H new ATOM 1207 N SER A 79 -19.388 -3.054 7.435 1.00 0.00 N ATOM 1208 CA SER A 79 -19.721 -1.675 7.089 1.00 0.00 C ATOM 1209 C SER A 79 -18.476 -0.795 6.945 1.00 0.00 C ATOM 1210 O SER A 79 -18.232 0.097 7.764 1.00 0.00 O ATOM 1211 CB SER A 79 -20.694 -1.101 8.126 1.00 0.00 C ATOM 1212 OG SER A 79 -21.967 -1.717 8.076 1.00 0.00 O ATOM 0 H SER A 79 -19.915 -3.735 6.888 1.00 0.00 H new ATOM 0 HA SER A 79 -20.206 -1.680 6.113 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.272 -1.227 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.806 -0.030 7.960 1.00 0.00 H new ATOM 0 HG SER A 79 -22.610 -1.106 7.659 1.00 0.00 H new ATOM 1218 N LYS A 80 -17.717 -0.989 5.867 1.00 0.00 N ATOM 1219 CA LYS A 80 -16.545 -0.155 5.582 1.00 0.00 C ATOM 1220 C LYS A 80 -16.401 0.170 4.098 1.00 0.00 C ATOM 1221 O LYS A 80 -15.715 1.123 3.741 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.300 -0.861 6.137 1.00 0.00 C ATOM 1223 CG LYS A 80 -14.147 0.085 6.501 1.00 0.00 C ATOM 1224 CD LYS A 80 -14.451 0.850 7.798 1.00 0.00 C ATOM 1225 CE LYS A 80 -13.149 1.277 8.483 1.00 0.00 C ATOM 1226 NZ LYS A 80 -13.385 1.634 9.893 1.00 0.00 N ATOM 0 H LYS A 80 -17.891 -1.717 5.174 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.671 0.809 6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.583 -1.428 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.945 -1.580 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.226 -0.487 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.981 0.792 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.058 1.728 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.034 0.221 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.422 0.467 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.719 2.129 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.487 1.919 10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.061 2.422 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.773 0.812 10.399 1.00 0.00 H new ATOM 1240 N GLU A 81 -17.148 -0.511 3.229 1.00 0.00 N ATOM 1241 CA GLU A 81 -17.086 -0.337 1.780 1.00 0.00 C ATOM 1242 C GLU A 81 -17.569 1.048 1.304 1.00 0.00 C ATOM 1243 O GLU A 81 -17.513 1.343 0.110 1.00 0.00 O ATOM 1244 CB GLU A 81 -17.893 -1.456 1.097 1.00 0.00 C ATOM 1245 CG GLU A 81 -19.374 -1.500 1.513 1.00 0.00 C ATOM 1246 CD GLU A 81 -19.642 -2.558 2.586 1.00 0.00 C ATOM 1247 OE1 GLU A 81 -19.220 -2.375 3.751 1.00 0.00 O ATOM 1248 OE2 GLU A 81 -20.240 -3.607 2.249 1.00 0.00 O ATOM 0 H GLU A 81 -17.827 -1.214 3.520 1.00 0.00 H new ATOM 0 HA GLU A 81 -16.036 -0.399 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.833 -1.326 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -17.432 -2.416 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -19.674 -0.521 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -19.989 -1.709 0.638 1.00 0.00 H new ATOM 1255 N GLY A 82 -18.074 1.912 2.191 1.00 0.00 N ATOM 1256 CA GLY A 82 -18.613 3.234 1.868 1.00 0.00 C ATOM 1257 C GLY A 82 -20.133 3.229 1.685 1.00 0.00 C ATOM 1258 O GLY A 82 -20.767 4.267 1.805 1.00 0.00 O ATOM 0 H GLY A 82 -18.119 1.701 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -18.350 3.932 2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.143 3.599 0.955 1.00 0.00 H new ATOM 1262 N LYS A 83 -20.760 2.065 1.497 1.00 0.00 N ATOM 1263 CA LYS A 83 -22.181 1.845 1.762 1.00 0.00 C ATOM 1264 C LYS A 83 -22.420 1.676 3.265 1.00 0.00 C ATOM 1265 O LYS A 83 -23.547 1.418 3.675 1.00 0.00 O ATOM 1266 CB LYS A 83 -22.647 0.601 0.978 1.00 0.00 C ATOM 1267 CG LYS A 83 -23.074 0.916 -0.464 1.00 0.00 C ATOM 1268 CD LYS A 83 -24.448 1.602 -0.479 1.00 0.00 C ATOM 1269 CE LYS A 83 -25.123 1.640 -1.853 1.00 0.00 C ATOM 1270 NZ LYS A 83 -25.404 0.296 -2.404 1.00 0.00 N ATOM 0 H LYS A 83 -20.283 1.233 1.149 1.00 0.00 H new ATOM 0 HA LYS A 83 -22.760 2.708 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -21.840 -0.131 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -23.483 0.140 1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -22.333 1.561 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -23.114 -0.004 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -25.105 1.086 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -24.334 2.623 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -26.057 2.196 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -24.485 2.184 -2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -26.021 0.384 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -24.511 -0.159 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -25.878 -0.283 -1.682 1.00 0.00 H new ATOM 1284 N GLU A 84 -21.378 1.856 4.084 1.00 0.00 N ATOM 1285 CA GLU A 84 -21.232 1.391 5.456 1.00 0.00 C ATOM 1286 C GLU A 84 -22.497 1.623 6.278 1.00 0.00 C ATOM 1287 O GLU A 84 -23.096 0.669 6.781 1.00 0.00 O ATOM 1288 CB GLU A 84 -20.008 2.080 6.104 1.00 0.00 C ATOM 1289 CG GLU A 84 -19.834 3.584 5.797 1.00 0.00 C ATOM 1290 CD GLU A 84 -19.077 4.401 6.854 1.00 0.00 C ATOM 1291 OE1 GLU A 84 -18.927 3.978 8.021 1.00 0.00 O ATOM 1292 OE2 GLU A 84 -18.690 5.546 6.524 1.00 0.00 O ATOM 0 H GLU A 84 -20.554 2.371 3.775 1.00 0.00 H new ATOM 0 HA GLU A 84 -21.070 0.313 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.077 1.956 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.108 1.557 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -19.311 3.683 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.822 4.025 5.664 1.00 0.00 H new ATOM 1299 N LYS A 85 -22.917 2.882 6.342 1.00 0.00 N ATOM 1300 CA LYS A 85 -24.059 3.400 7.071 1.00 0.00 C ATOM 1301 C LYS A 85 -24.988 4.132 6.102 1.00 0.00 C ATOM 1302 O LYS A 85 -25.573 5.140 6.492 1.00 0.00 O ATOM 1303 CB LYS A 85 -23.554 4.320 8.198 1.00 0.00 C ATOM 1304 CG LYS A 85 -22.729 5.515 7.672 1.00 0.00 C ATOM 1305 CD LYS A 85 -23.039 6.819 8.415 1.00 0.00 C ATOM 1306 CE LYS A 85 -22.410 7.975 7.631 1.00 0.00 C ATOM 1307 NZ LYS A 85 -22.658 9.293 8.248 1.00 0.00 N ATOM 0 H LYS A 85 -22.424 3.623 5.843 1.00 0.00 H new ATOM 0 HA LYS A 85 -24.630 2.591 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -24.407 4.695 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -22.943 3.739 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -21.667 5.289 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -22.930 5.650 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -24.116 6.960 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.639 6.784 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -21.335 7.812 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.805 7.975 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -22.209 10.035 7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.682 9.466 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -22.258 9.308 9.208 1.00 0.00 H new ATOM 1321 N LYS A 86 -25.061 3.680 4.840 1.00 0.00 N ATOM 1322 CA LYS A 86 -25.770 4.356 3.751 1.00 0.00 C ATOM 1323 C LYS A 86 -25.324 5.815 3.588 1.00 0.00 C ATOM 1324 O LYS A 86 -24.223 6.172 4.017 1.00 0.00 O ATOM 1325 CB LYS A 86 -27.295 4.139 3.870 1.00 0.00 C ATOM 1326 CG LYS A 86 -28.025 4.910 4.983 1.00 0.00 C ATOM 1327 CD LYS A 86 -29.514 5.075 4.676 1.00 0.00 C ATOM 1328 CE LYS A 86 -30.167 5.867 5.815 1.00 0.00 C ATOM 1329 NZ LYS A 86 -31.281 6.703 5.328 1.00 0.00 N ATOM 0 H LYS A 86 -24.616 2.811 4.545 1.00 0.00 H new ATOM 0 HA LYS A 86 -25.489 3.894 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -27.751 4.407 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -27.475 3.075 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -27.905 4.383 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -27.568 5.892 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -29.649 5.596 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -29.989 4.099 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -30.535 5.177 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -29.420 6.499 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -31.677 7.250 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -30.932 7.355 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -32.021 6.094 4.924 1.00 0.00 H new ATOM 1343 N GLU A 87 -26.126 6.617 2.881 1.00 0.00 N ATOM 1344 CA GLU A 87 -25.983 8.053 2.644 1.00 0.00 C ATOM 1345 C GLU A 87 -24.548 8.446 2.276 1.00 0.00 C ATOM 1346 O GLU A 87 -23.842 9.149 3.013 1.00 0.00 O ATOM 1347 CB GLU A 87 -26.638 8.864 3.791 1.00 0.00 C ATOM 1348 CG GLU A 87 -27.894 9.626 3.333 1.00 0.00 C ATOM 1349 CD GLU A 87 -29.008 8.691 2.851 1.00 0.00 C ATOM 1350 OE1 GLU A 87 -28.980 8.319 1.653 1.00 0.00 O ATOM 1351 OE2 GLU A 87 -29.860 8.289 3.673 1.00 0.00 O ATOM 0 H GLU A 87 -26.959 6.246 2.423 1.00 0.00 H new ATOM 0 HA GLU A 87 -26.544 8.326 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -26.904 8.188 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -25.913 9.573 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -28.266 10.234 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -27.626 10.310 2.528 1.00 0.00 H new ATOM 1358 N LYS A 88 -24.101 7.993 1.099 1.00 0.00 N ATOM 1359 CA LYS A 88 -22.881 8.513 0.497 1.00 0.00 C ATOM 1360 C LYS A 88 -23.112 9.975 0.136 1.00 0.00 C ATOM 1361 O LYS A 88 -24.137 10.331 -0.461 1.00 0.00 O ATOM 1362 CB LYS A 88 -22.439 7.691 -0.724 1.00 0.00 C ATOM 1363 CG LYS A 88 -21.973 6.291 -0.299 1.00 0.00 C ATOM 1364 CD LYS A 88 -21.219 5.542 -1.412 1.00 0.00 C ATOM 1365 CE LYS A 88 -19.706 5.529 -1.147 1.00 0.00 C ATOM 1366 NZ LYS A 88 -18.938 5.044 -2.312 1.00 0.00 N ATOM 0 H LYS A 88 -24.568 7.270 0.551 1.00 0.00 H new ATOM 0 HA LYS A 88 -22.065 8.434 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -23.266 7.606 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -21.630 8.207 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.326 6.379 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -22.839 5.703 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.588 4.518 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.418 6.017 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.376 6.535 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.495 4.895 -0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.923 5.053 -2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.233 4.074 -2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.117 5.664 -3.128 1.00 0.00 H new ATOM 1380 N HIS A 89 -22.167 10.823 0.508 1.00 0.00 N ATOM 1381 CA HIS A 89 -22.116 12.241 0.188 1.00 0.00 C ATOM 1382 C HIS A 89 -20.649 12.635 0.007 1.00 0.00 C ATOM 1383 O HIS A 89 -19.791 11.751 0.037 1.00 0.00 O ATOM 1384 CB HIS A 89 -22.894 13.056 1.241 1.00 0.00 C ATOM 1385 CG HIS A 89 -22.484 12.948 2.694 1.00 0.00 C ATOM 1386 ND1 HIS A 89 -23.203 13.465 3.753 1.00 0.00 N ATOM 1387 CD2 HIS A 89 -21.359 12.363 3.210 1.00 0.00 C ATOM 1388 CE1 HIS A 89 -22.525 13.208 4.882 1.00 0.00 C ATOM 1389 NE2 HIS A 89 -21.411 12.509 4.603 1.00 0.00 N ATOM 0 H HIS A 89 -21.371 10.524 1.072 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.619 12.467 -0.752 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.832 14.107 0.958 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.943 12.769 1.172 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.575 11.878 2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.830 13.518 5.871 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.733 12.153 5.277 1.00 0.00 H new ATOM 1397 N LYS A 90 -20.344 13.916 -0.218 1.00 0.00 N ATOM 1398 CA LYS A 90 -18.961 14.330 -0.439 1.00 0.00 C ATOM 1399 C LYS A 90 -18.188 14.388 0.885 1.00 0.00 C ATOM 1400 O LYS A 90 -18.609 13.817 1.896 1.00 0.00 O ATOM 1401 CB LYS A 90 -18.907 15.624 -1.277 1.00 0.00 C ATOM 1402 CG LYS A 90 -17.894 15.430 -2.414 1.00 0.00 C ATOM 1403 CD LYS A 90 -17.577 16.728 -3.167 1.00 0.00 C ATOM 1404 CE LYS A 90 -16.689 16.486 -4.394 1.00 0.00 C ATOM 1405 NZ LYS A 90 -15.479 15.697 -4.076 1.00 0.00 N ATOM 0 H LYS A 90 -21.027 14.673 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 90 -18.444 13.579 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.892 15.853 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.616 16.468 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.971 15.020 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -18.284 14.695 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -18.508 17.199 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -17.079 17.425 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.266 15.966 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.391 17.445 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.834 15.706 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.000 16.113 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.751 14.717 -3.860 1.00 0.00 H new ATOM 1419 N THR A 91 -17.005 14.996 0.871 1.00 0.00 N ATOM 1420 CA THR A 91 -16.170 15.194 2.042 1.00 0.00 C ATOM 1421 C THR A 91 -15.258 16.391 1.748 1.00 0.00 C ATOM 1422 O THR A 91 -14.874 16.594 0.589 1.00 0.00 O ATOM 1423 CB THR A 91 -15.422 13.873 2.343 1.00 0.00 C ATOM 1424 OG1 THR A 91 -14.672 13.938 3.538 1.00 0.00 O ATOM 1425 CG2 THR A 91 -14.489 13.395 1.224 1.00 0.00 C ATOM 0 H THR A 91 -16.593 15.374 0.018 1.00 0.00 H new ATOM 0 HA THR A 91 -16.735 15.429 2.944 1.00 0.00 H new ATOM 0 HB THR A 91 -16.231 13.149 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.219 13.082 3.687 1.00 0.00 H new ATOM 0 HG21 THR A 91 -14.009 12.464 1.524 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.067 13.229 0.315 1.00 0.00 H new ATOM 0 HG23 THR A 91 -13.727 14.152 1.037 1.00 0.00 H new ATOM 1433 N LYS A 92 -14.883 17.132 2.799 1.00 0.00 N ATOM 1434 CA LYS A 92 -14.073 18.356 2.745 1.00 0.00 C ATOM 1435 C LYS A 92 -14.635 19.346 1.724 1.00 0.00 C ATOM 1436 O LYS A 92 -15.879 19.407 1.610 1.00 0.00 O ATOM 1437 CB LYS A 92 -12.590 17.977 2.533 1.00 0.00 C ATOM 1438 CG LYS A 92 -11.609 19.019 3.102 1.00 0.00 C ATOM 1439 CD LYS A 92 -10.154 18.521 3.095 1.00 0.00 C ATOM 1440 CE LYS A 92 -9.598 18.449 1.671 1.00 0.00 C ATOM 1441 NZ LYS A 92 -8.353 17.658 1.593 1.00 0.00 N ATOM 0 H LYS A 92 -15.148 16.884 3.752 1.00 0.00 H new ATOM 0 HA LYS A 92 -14.123 18.889 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.398 17.012 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -12.402 17.855 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.679 19.936 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.900 19.268 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.536 19.188 3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.102 17.536 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.347 18.009 1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.408 19.458 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.015 17.638 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.628 18.091 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.538 16.687 1.915 1.00 0.00 H new TER 1455 LYS A 92