USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1045 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 46 ASN : amide:sc= -6.97! C(o=-14!,f=-18!) USER MOD Set 1.2: A 89 ASN : amide:sc= -7.3! C(o=-14!,f=-20!) USER MOD Set 2.1: A 38 ASN : amide:sc= -1.68! C(o=-0.74!,f=-7.1!) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.939 USER MOD Set 3.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 TYR OH : rot 14:sc= 1.18 USER MOD Set 3.3: A 77 SER OG : rot 180:sc= -0.111 USER MOD Set 3.4: A 81 GLN : amide:sc= -0.0143 X(o=1.1,f=1.3) USER MOD Set 4.1: A 18 THR OG1 : rot -86:sc= -0.353! USER MOD Set 4.2: A 65 SER OG : rot 150:sc= -0.0077 USER MOD Set 5.1: A 4 GLN : amide:sc= 0.524 K(o=0.22,f=-5.1) USER MOD Set 5.2: A 41 LYS NZ :NH3+ -147:sc= -0.3! (180deg=-1.47!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00736 X(o=-0.0074,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.264 USER MOD Single : A 9 THR OG1 : rot 79:sc= 0.858 USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= -0.0185 (180deg=-0.141) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -172:sc= 0.568 USER MOD Single : A 21 ASN : amide:sc= 0.437 K(o=0.44,f=-0.53) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.32 F(o=-5.8!,f=-2.3) USER MOD Single : A 23 SER OG : rot -25:sc= 0.0192 USER MOD Single : A 29 ASN : amide:sc= -4.52! C(o=-4.5!,f=-7.1!) USER MOD Single : A 30 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.134 (180deg=-0.588) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.208 F(o=-2,f=-0.21) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= 0.494 (180deg=0.197) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -7.84! C(o=-10!,f=-7.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= -0.0163 (180deg=-0.0821) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 58:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0121) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.82! C(o=-2.7!,f=-1.8!) USER MOD Single : A 91 GLN : amide:sc= 0.427 K(o=0.43,f=-10!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.304 X(o=0.3,f=-0.061) USER MOD Single : A 107 LYS NZ :NH3+ -137:sc= 1.18 (180deg=0.844) USER MOD Single : A 109 LYS NZ :NH3+ -164:sc= 0.944 (180deg=0.672) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0041 USER MOD Single : A 118 LYS NZ :NH3+ 144:sc= 0.893 (180deg=-0.442!) USER MOD Single : A 119 THR OG1 : rot -87:sc= 0.0386! USER MOD Single : A 121 ASN : amide:sc= -4.27! C(o=-4.3!,f=-8.2!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00194 USER MOD Single : A 126 LYS NZ :NH3+ 172:sc=-0.000774 (180deg=-0.0786) USER MOD Single : A 130 LYS NZ :NH3+ -150:sc= -0.342 (180deg=-1.32!) USER MOD Single : A 133 SER OG : rot 75:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.290 -11.337 -12.969 1.00 22.48 N ATOM 2 CA GLY A 1 -6.394 -10.621 -13.909 1.00 22.34 C ATOM 3 C GLY A 1 -5.735 -9.423 -13.261 1.00 22.10 C ATOM 4 O GLY A 1 -5.163 -9.536 -12.178 1.00 22.12 O ATOM 0 H1 GLY A 1 -7.721 -12.151 -13.452 1.00 22.48 H new ATOM 0 H2 GLY A 1 -6.740 -11.671 -12.152 1.00 22.48 H new ATOM 0 H3 GLY A 1 -8.038 -10.692 -12.643 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -5.627 -11.305 -14.271 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -6.966 -10.295 -14.778 1.00 22.34 H new ATOM 10 N HIS A 2 -5.817 -8.274 -13.916 1.00 21.98 N ATOM 11 CA HIS A 2 -5.215 -7.051 -13.396 1.00 21.88 C ATOM 12 C HIS A 2 -6.284 -6.020 -13.052 1.00 21.50 C ATOM 13 O HIS A 2 -6.009 -4.823 -12.988 1.00 21.64 O ATOM 14 CB HIS A 2 -4.210 -6.462 -14.401 1.00 22.32 C ATOM 15 CG HIS A 2 -4.774 -6.196 -15.768 1.00 22.67 C ATOM 16 ND1 HIS A 2 -4.552 -7.026 -16.846 1.00 22.91 N ATOM 17 CD2 HIS A 2 -5.544 -5.184 -16.231 1.00 22.94 C ATOM 18 CE1 HIS A 2 -5.159 -6.534 -17.909 1.00 23.31 C ATOM 19 NE2 HIS A 2 -5.769 -5.418 -17.564 1.00 23.33 N ATOM 0 H HIS A 2 -6.295 -8.161 -14.810 1.00 21.98 H new ATOM 0 HA HIS A 2 -4.678 -7.308 -12.483 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -3.817 -5.529 -13.997 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -3.368 -7.148 -14.497 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -5.913 -4.347 -15.657 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -5.156 -6.972 -18.896 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -6.318 -4.825 -18.186 1.00 23.33 H new ATOM 28 N MET A 3 -7.505 -6.485 -12.831 1.00 21.13 N ATOM 29 CA MET A 3 -8.599 -5.591 -12.477 1.00 20.87 C ATOM 30 C MET A 3 -8.637 -5.357 -10.976 1.00 20.26 C ATOM 31 O MET A 3 -9.164 -4.344 -10.515 1.00 20.24 O ATOM 32 CB MET A 3 -9.940 -6.142 -12.959 1.00 21.09 C ATOM 33 CG MET A 3 -10.123 -6.051 -14.463 1.00 21.38 C ATOM 34 SD MET A 3 -11.717 -6.689 -15.005 1.00 21.89 S ATOM 35 CE MET A 3 -11.617 -6.371 -16.766 1.00 22.11 C ATOM 0 H MET A 3 -7.763 -7.470 -12.890 1.00 21.13 H new ATOM 0 HA MET A 3 -8.423 -4.638 -12.976 1.00 20.87 H new ATOM 0 HB2 MET A 3 -10.028 -7.184 -12.652 1.00 21.09 H new ATOM 0 HB3 MET A 3 -10.746 -5.596 -12.469 1.00 21.09 H new ATOM 0 HG2 MET A 3 -10.027 -5.011 -14.775 1.00 21.38 H new ATOM 0 HG3 MET A 3 -9.326 -6.607 -14.957 1.00 21.38 H new ATOM 0 HE1 MET A 3 -12.533 -6.711 -17.250 1.00 22.11 H new ATOM 0 HE2 MET A 3 -11.492 -5.302 -16.936 1.00 22.11 H new ATOM 0 HE3 MET A 3 -10.765 -6.907 -17.185 1.00 22.11 H new ATOM 45 N GLN A 4 -8.072 -6.309 -10.229 1.00 19.88 N ATOM 46 CA GLN A 4 -7.942 -6.218 -8.771 1.00 19.37 C ATOM 47 C GLN A 4 -9.303 -6.281 -8.081 1.00 18.69 C ATOM 48 O GLN A 4 -9.681 -7.317 -7.532 1.00 18.61 O ATOM 49 CB GLN A 4 -7.192 -4.942 -8.370 1.00 19.44 C ATOM 50 CG GLN A 4 -5.832 -4.802 -9.038 1.00 19.70 C ATOM 51 CD GLN A 4 -4.850 -5.882 -8.622 1.00 20.20 C ATOM 52 OE1 GLN A 4 -4.897 -6.383 -7.498 1.00 20.59 O ATOM 53 NE2 GLN A 4 -3.945 -6.236 -9.521 1.00 20.31 N ATOM 0 H GLN A 4 -7.689 -7.170 -10.620 1.00 19.88 H new ATOM 0 HA GLN A 4 -7.362 -7.079 -8.439 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -7.803 -4.076 -8.623 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -7.059 -4.933 -7.288 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -5.960 -4.833 -10.120 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -5.413 -3.825 -8.795 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -3.941 -5.796 -10.441 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -3.252 -6.949 -9.293 1.00 20.31 H new ATOM 62 N VAL A 5 -10.045 -5.184 -8.130 1.00 18.32 N ATOM 63 CA VAL A 5 -11.350 -5.115 -7.490 1.00 17.78 C ATOM 64 C VAL A 5 -12.435 -5.561 -8.469 1.00 17.06 C ATOM 65 O VAL A 5 -13.344 -4.802 -8.813 1.00 16.99 O ATOM 66 CB VAL A 5 -11.657 -3.686 -6.985 1.00 18.09 C ATOM 67 CG1 VAL A 5 -12.819 -3.695 -6.004 1.00 18.26 C ATOM 68 CG2 VAL A 5 -10.425 -3.064 -6.349 1.00 18.37 C ATOM 0 H VAL A 5 -9.764 -4.328 -8.608 1.00 18.32 H new ATOM 0 HA VAL A 5 -11.337 -5.783 -6.629 1.00 17.78 H new ATOM 0 HB VAL A 5 -11.943 -3.079 -7.844 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -13.015 -2.678 -5.663 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -13.707 -4.091 -6.496 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -12.568 -4.322 -5.149 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -10.663 -2.059 -6.001 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -10.104 -3.674 -5.505 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -9.623 -3.012 -7.085 1.00 18.37 H new ATOM 78 N ALA A 6 -12.320 -6.796 -8.933 1.00 16.65 N ATOM 79 CA ALA A 6 -13.271 -7.344 -9.889 1.00 16.09 C ATOM 80 C ALA A 6 -14.457 -7.972 -9.173 1.00 15.56 C ATOM 81 O ALA A 6 -15.585 -7.929 -9.660 1.00 15.23 O ATOM 82 CB ALA A 6 -12.590 -8.366 -10.787 1.00 16.02 C ATOM 0 H ALA A 6 -11.576 -7.439 -8.663 1.00 16.65 H new ATOM 0 HA ALA A 6 -13.641 -6.527 -10.509 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -13.314 -8.767 -11.496 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -11.776 -7.887 -11.331 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -12.192 -9.177 -10.178 1.00 16.02 H new ATOM 88 N ARG A 7 -14.195 -8.561 -8.017 1.00 15.63 N ATOM 89 CA ARG A 7 -15.246 -9.194 -7.234 1.00 15.34 C ATOM 90 C ARG A 7 -15.694 -8.292 -6.096 1.00 14.74 C ATOM 91 O ARG A 7 -16.864 -8.314 -5.704 1.00 14.45 O ATOM 92 CB ARG A 7 -14.765 -10.539 -6.688 1.00 15.83 C ATOM 93 CG ARG A 7 -14.437 -11.547 -7.777 1.00 16.12 C ATOM 94 CD ARG A 7 -15.689 -11.996 -8.519 1.00 16.49 C ATOM 95 NE ARG A 7 -16.563 -12.813 -7.676 1.00 16.78 N ATOM 96 CZ ARG A 7 -17.895 -12.740 -7.676 1.00 17.15 C ATOM 97 NH1 ARG A 7 -18.519 -11.839 -8.427 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -18.601 -13.562 -6.911 1.00 17.53 N ATOM 0 H ARG A 7 -13.266 -8.614 -7.600 1.00 15.63 H new ATOM 0 HA ARG A 7 -16.101 -9.366 -7.888 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -13.880 -10.378 -6.073 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -15.534 -10.955 -6.037 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -13.733 -11.105 -8.483 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -13.944 -12.413 -7.336 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -16.237 -11.121 -8.868 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -15.402 -12.566 -9.403 1.00 16.49 H new ATOM 0 HE ARG A 7 -16.124 -13.484 -7.046 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -17.979 -11.198 -9.008 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -19.538 -11.789 -8.422 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -18.125 -14.248 -6.325 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -19.620 -13.508 -6.909 1.00 17.53 H new ATOM 112 N SER A 8 -14.749 -7.500 -5.581 1.00 14.73 N ATOM 113 CA SER A 8 -14.984 -6.588 -4.460 1.00 14.36 C ATOM 114 C SER A 8 -15.264 -7.362 -3.170 1.00 13.83 C ATOM 115 O SER A 8 -14.437 -7.390 -2.257 1.00 13.83 O ATOM 116 CB SER A 8 -16.139 -5.627 -4.769 1.00 14.71 C ATOM 117 OG SER A 8 -15.902 -4.903 -5.968 1.00 15.09 O ATOM 0 H SER A 8 -13.792 -7.474 -5.934 1.00 14.73 H new ATOM 0 HA SER A 8 -14.077 -6.001 -4.315 1.00 14.36 H new ATOM 0 HB2 SER A 8 -17.068 -6.189 -4.859 1.00 14.71 H new ATOM 0 HB3 SER A 8 -16.267 -4.930 -3.940 1.00 14.71 H new ATOM 0 HG SER A 8 -16.655 -4.300 -6.140 1.00 15.09 H new ATOM 123 N THR A 9 -16.426 -7.993 -3.113 1.00 13.57 N ATOM 124 CA THR A 9 -16.840 -8.778 -1.965 1.00 13.24 C ATOM 125 C THR A 9 -17.817 -9.857 -2.427 1.00 12.78 C ATOM 126 O THR A 9 -18.732 -9.572 -3.196 1.00 12.86 O ATOM 127 CB THR A 9 -17.515 -7.884 -0.903 1.00 13.31 C ATOM 128 OG1 THR A 9 -16.668 -6.768 -0.600 1.00 13.75 O ATOM 129 CG2 THR A 9 -17.800 -8.659 0.373 1.00 13.07 C ATOM 0 H THR A 9 -17.112 -7.974 -3.868 1.00 13.57 H new ATOM 0 HA THR A 9 -15.960 -9.238 -1.514 1.00 13.24 H new ATOM 0 HB THR A 9 -18.463 -7.534 -1.312 1.00 13.31 H new ATOM 0 HG1 THR A 9 -16.752 -6.092 -1.305 1.00 13.75 H new ATOM 0 HG21 THR A 9 -18.275 -8.001 1.100 1.00 13.07 H new ATOM 0 HG22 THR A 9 -18.464 -9.494 0.151 1.00 13.07 H new ATOM 0 HG23 THR A 9 -16.865 -9.039 0.784 1.00 13.07 H new ATOM 137 N LYS A 10 -17.609 -11.093 -1.990 1.00 12.51 N ATOM 138 CA LYS A 10 -18.482 -12.186 -2.404 1.00 12.26 C ATOM 139 C LYS A 10 -19.006 -12.961 -1.199 1.00 11.57 C ATOM 140 O LYS A 10 -19.750 -13.932 -1.347 1.00 11.56 O ATOM 141 CB LYS A 10 -17.769 -13.136 -3.381 1.00 12.85 C ATOM 142 CG LYS A 10 -16.560 -13.862 -2.805 1.00 13.32 C ATOM 143 CD LYS A 10 -15.310 -12.997 -2.818 1.00 13.86 C ATOM 144 CE LYS A 10 -14.091 -13.771 -2.335 1.00 14.21 C ATOM 145 NZ LYS A 10 -14.254 -14.263 -0.941 1.00 14.58 N1+ ATOM 0 H LYS A 10 -16.855 -11.362 -1.358 1.00 12.51 H new ATOM 0 HA LYS A 10 -19.331 -11.741 -2.922 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -18.486 -13.878 -3.732 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -17.450 -12.564 -4.252 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -16.776 -14.169 -1.782 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -16.377 -14.771 -3.379 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -15.132 -12.629 -3.828 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -15.463 -12.124 -2.183 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -13.914 -14.617 -2.999 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -13.210 -13.131 -2.392 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -13.350 -14.649 -0.601 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -14.548 -13.476 -0.327 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -14.979 -15.009 -0.919 1.00 14.58 H new ATOM 159 N GLU A 11 -18.624 -12.529 -0.008 1.00 11.20 N ATOM 160 CA GLU A 11 -19.105 -13.149 1.216 1.00 10.71 C ATOM 161 C GLU A 11 -19.626 -12.085 2.165 1.00 9.66 C ATOM 162 O GLU A 11 -19.144 -10.952 2.161 1.00 9.26 O ATOM 163 CB GLU A 11 -17.992 -13.952 1.891 1.00 11.05 C ATOM 164 CG GLU A 11 -17.567 -15.183 1.111 1.00 11.92 C ATOM 165 CD GLU A 11 -16.519 -15.993 1.841 1.00 12.59 C ATOM 166 OE1 GLU A 11 -15.315 -15.787 1.581 1.00 13.16 O ATOM 167 OE2 GLU A 11 -16.893 -16.844 2.670 1.00 12.70 O1- ATOM 0 H GLU A 11 -17.981 -11.750 0.137 1.00 11.20 H new ATOM 0 HA GLU A 11 -19.916 -13.832 0.961 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -17.126 -13.306 2.033 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -18.327 -14.259 2.882 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -18.439 -15.809 0.921 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -17.176 -14.878 0.140 1.00 11.92 H new ATOM 174 N ILE A 12 -20.610 -12.446 2.973 1.00 9.40 N ATOM 175 CA ILE A 12 -21.187 -11.512 3.922 1.00 8.58 C ATOM 176 C ILE A 12 -20.298 -11.401 5.153 1.00 8.21 C ATOM 177 O ILE A 12 -20.531 -12.052 6.175 1.00 8.57 O ATOM 178 CB ILE A 12 -22.612 -11.927 4.346 1.00 8.89 C ATOM 179 CG1 ILE A 12 -23.520 -12.037 3.116 1.00 9.53 C ATOM 180 CG2 ILE A 12 -23.176 -10.922 5.342 1.00 8.32 C ATOM 181 CD1 ILE A 12 -24.929 -12.490 3.436 1.00 10.10 C ATOM 0 H ILE A 12 -21.024 -13.378 2.990 1.00 9.40 H new ATOM 0 HA ILE A 12 -21.254 -10.543 3.427 1.00 8.58 H new ATOM 0 HB ILE A 12 -22.567 -12.903 4.828 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -23.564 -11.067 2.620 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -23.075 -12.737 2.409 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -24.182 -11.225 5.634 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -22.537 -10.886 6.224 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -23.214 -9.935 4.881 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -25.512 -12.544 2.516 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -24.897 -13.474 3.904 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -25.394 -11.779 4.119 1.00 10.10 H new ATOM 193 N GLU A 13 -19.252 -10.602 5.035 1.00 7.77 N ATOM 194 CA GLU A 13 -18.341 -10.370 6.133 1.00 7.68 C ATOM 195 C GLU A 13 -18.136 -8.882 6.326 1.00 6.98 C ATOM 196 O GLU A 13 -18.721 -8.073 5.603 1.00 6.99 O ATOM 197 CB GLU A 13 -16.988 -11.005 5.849 1.00 8.41 C ATOM 198 CG GLU A 13 -17.057 -12.405 5.283 1.00 9.30 C ATOM 199 CD GLU A 13 -15.684 -12.964 4.981 1.00 10.20 C ATOM 200 OE1 GLU A 13 -15.178 -13.780 5.779 1.00 10.61 O ATOM 201 OE2 GLU A 13 -15.097 -12.578 3.950 1.00 10.66 O1- ATOM 0 H GLU A 13 -19.014 -10.100 4.179 1.00 7.77 H new ATOM 0 HA GLU A 13 -18.773 -10.813 7.030 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -16.443 -10.371 5.150 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -16.411 -11.029 6.774 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -17.566 -13.058 5.992 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -17.654 -12.398 4.371 1.00 9.30 H new ATOM 208 N THR A 14 -17.300 -8.536 7.301 1.00 6.67 N ATOM 209 CA THR A 14 -16.875 -7.161 7.518 1.00 6.26 C ATOM 210 C THR A 14 -18.085 -6.228 7.675 1.00 5.40 C ATOM 211 O THR A 14 -18.062 -5.062 7.279 1.00 5.42 O ATOM 212 CB THR A 14 -15.971 -6.698 6.354 1.00 6.72 C ATOM 213 OG1 THR A 14 -15.053 -7.752 6.018 1.00 7.42 O ATOM 214 CG2 THR A 14 -15.178 -5.453 6.727 1.00 7.00 C ATOM 0 H THR A 14 -16.900 -9.202 7.961 1.00 6.67 H new ATOM 0 HA THR A 14 -16.302 -7.117 8.444 1.00 6.26 H new ATOM 0 HB THR A 14 -16.610 -6.459 5.504 1.00 6.72 H new ATOM 0 HG1 THR A 14 -14.479 -7.462 5.279 1.00 7.42 H new ATOM 0 HG21 THR A 14 -14.553 -5.154 5.886 1.00 7.00 H new ATOM 0 HG22 THR A 14 -15.866 -4.644 6.973 1.00 7.00 H new ATOM 0 HG23 THR A 14 -14.547 -5.668 7.590 1.00 7.00 H new ATOM 222 N SER A 15 -19.149 -6.758 8.260 1.00 5.02 N ATOM 223 CA SER A 15 -20.376 -6.006 8.428 1.00 4.54 C ATOM 224 C SER A 15 -20.345 -5.221 9.735 1.00 3.88 C ATOM 225 O SER A 15 -21.025 -5.560 10.704 1.00 4.02 O ATOM 226 CB SER A 15 -21.570 -6.959 8.381 1.00 5.20 C ATOM 227 OG SER A 15 -21.525 -7.752 7.203 1.00 6.06 O ATOM 0 H SER A 15 -19.184 -7.709 8.626 1.00 5.02 H new ATOM 0 HA SER A 15 -20.474 -5.287 7.615 1.00 4.54 H new ATOM 0 HB2 SER A 15 -21.564 -7.603 9.261 1.00 5.20 H new ATOM 0 HB3 SER A 15 -22.499 -6.390 8.408 1.00 5.20 H new ATOM 0 HG SER A 15 -22.295 -8.359 7.187 1.00 6.06 H new ATOM 233 N GLN A 16 -19.527 -4.179 9.752 1.00 3.65 N ATOM 234 CA GLN A 16 -19.381 -3.330 10.923 1.00 3.49 C ATOM 235 C GLN A 16 -19.709 -1.886 10.570 1.00 2.88 C ATOM 236 O GLN A 16 -20.676 -1.315 11.071 1.00 3.21 O ATOM 237 CB GLN A 16 -17.958 -3.436 11.468 1.00 4.06 C ATOM 238 CG GLN A 16 -17.663 -2.495 12.623 1.00 4.50 C ATOM 239 CD GLN A 16 -16.238 -2.624 13.124 1.00 5.43 C ATOM 240 OE1 GLN A 16 -15.324 -2.940 12.363 1.00 5.86 O ATOM 241 NE2 GLN A 16 -16.035 -2.384 14.406 1.00 6.06 N ATOM 0 H GLN A 16 -18.949 -3.900 8.959 1.00 3.65 H new ATOM 0 HA GLN A 16 -20.077 -3.664 11.693 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -17.781 -4.461 11.794 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -17.255 -3.233 10.660 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -17.842 -1.468 12.306 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -18.353 -2.701 13.441 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -16.818 -2.124 15.006 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -15.096 -2.458 14.796 1.00 6.06 H new ATOM 250 N SER A 17 -18.905 -1.307 9.693 1.00 2.48 N ATOM 251 CA SER A 17 -19.121 0.056 9.245 1.00 2.00 C ATOM 252 C SER A 17 -20.001 0.075 7.993 1.00 1.45 C ATOM 253 O SER A 17 -20.643 -0.930 7.670 1.00 1.99 O ATOM 254 CB SER A 17 -17.776 0.724 8.978 1.00 2.29 C ATOM 255 OG SER A 17 -16.985 0.753 10.153 1.00 2.91 O ATOM 0 H SER A 17 -18.094 -1.764 9.277 1.00 2.48 H new ATOM 0 HA SER A 17 -19.640 0.613 10.025 1.00 2.00 H new ATOM 0 HB2 SER A 17 -17.247 0.185 8.192 1.00 2.29 H new ATOM 0 HB3 SER A 17 -17.935 1.740 8.616 1.00 2.29 H new ATOM 0 HG SER A 17 -16.126 1.184 9.959 1.00 2.91 H new ATOM 261 N THR A 18 -20.050 1.210 7.305 1.00 1.04 N ATOM 262 CA THR A 18 -20.836 1.327 6.080 1.00 0.58 C ATOM 263 C THR A 18 -20.169 0.573 4.940 1.00 0.63 C ATOM 264 O THR A 18 -19.368 -0.316 5.169 1.00 1.40 O ATOM 265 CB THR A 18 -20.997 2.795 5.655 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.719 3.380 5.395 1.00 1.44 O ATOM 267 CG2 THR A 18 -21.706 3.600 6.723 1.00 1.26 C ATOM 0 H THR A 18 -19.556 2.061 7.573 1.00 1.04 H new ATOM 0 HA THR A 18 -21.817 0.900 6.291 1.00 0.58 H new ATOM 0 HB THR A 18 -21.599 2.811 4.747 1.00 0.91 H new ATOM 0 HG1 THR A 18 -19.339 3.720 6.232 1.00 1.44 H new ATOM 0 HG21 THR A 18 -21.805 4.634 6.393 1.00 1.26 H new ATOM 0 HG22 THR A 18 -22.696 3.179 6.899 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.128 3.567 7.647 1.00 1.26 H new ATOM 275 N THR A 19 -20.513 0.912 3.712 1.00 0.61 N ATOM 276 CA THR A 19 -19.747 0.459 2.575 1.00 0.56 C ATOM 277 C THR A 19 -19.175 1.657 1.848 1.00 0.64 C ATOM 278 O THR A 19 -19.772 2.733 1.834 1.00 1.25 O ATOM 279 CB THR A 19 -20.576 -0.405 1.602 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.180 -1.496 2.310 1.00 0.66 O ATOM 281 CG2 THR A 19 -19.690 -0.954 0.492 1.00 0.66 C ATOM 0 H THR A 19 -21.315 1.498 3.480 1.00 0.61 H new ATOM 0 HA THR A 19 -18.944 -0.175 2.951 1.00 0.56 H new ATOM 0 HB THR A 19 -21.353 0.220 1.162 1.00 0.63 H new ATOM 0 HG1 THR A 19 -21.599 -2.109 1.670 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.290 -1.561 -0.186 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.244 -0.127 -0.060 1.00 0.66 H new ATOM 0 HG23 THR A 19 -18.901 -1.568 0.926 1.00 0.66 H new ATOM 289 N ALA A 20 -18.005 1.468 1.273 1.00 0.26 N ATOM 290 CA ALA A 20 -17.290 2.544 0.635 1.00 0.22 C ATOM 291 C ALA A 20 -17.884 2.885 -0.707 1.00 0.24 C ATOM 292 O ALA A 20 -18.954 2.410 -1.088 1.00 0.39 O ATOM 293 CB ALA A 20 -15.850 2.173 0.474 1.00 0.31 C ATOM 0 H ALA A 20 -17.528 0.567 1.237 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.373 3.425 1.272 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.315 2.991 -0.009 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.412 1.981 1.454 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.772 1.276 -0.140 1.00 0.31 H new ATOM 299 N ASN A 21 -17.159 3.710 -1.409 1.00 0.23 N ATOM 300 CA ASN A 21 -17.592 4.278 -2.655 1.00 0.24 C ATOM 301 C ASN A 21 -16.465 4.092 -3.639 1.00 0.25 C ATOM 302 O ASN A 21 -15.331 3.955 -3.228 1.00 0.26 O ATOM 303 CB ASN A 21 -17.871 5.756 -2.411 1.00 0.27 C ATOM 304 CG ASN A 21 -18.925 5.953 -1.324 1.00 0.35 C ATOM 305 OD1 ASN A 21 -20.102 6.156 -1.618 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.517 5.850 -0.057 1.00 0.35 N ATOM 0 H ASN A 21 -16.228 4.014 -1.124 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.494 3.808 -3.046 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.948 6.259 -2.120 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.210 6.221 -3.337 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.190 5.940 0.704 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.533 5.681 0.150 1.00 0.35 H new ATOM 313 N GLN A 22 -16.739 4.067 -4.922 1.00 0.34 N ATOM 314 CA GLN A 22 -15.668 3.862 -5.887 1.00 0.40 C ATOM 315 C GLN A 22 -14.867 5.133 -6.086 1.00 0.42 C ATOM 316 O GLN A 22 -13.777 5.107 -6.644 1.00 0.48 O ATOM 317 CB GLN A 22 -16.208 3.352 -7.214 1.00 0.51 C ATOM 318 CG GLN A 22 -16.059 1.853 -7.396 1.00 0.51 C ATOM 319 CD GLN A 22 -16.465 1.094 -6.161 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.530 0.960 -5.243 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.607 0.663 -6.017 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.670 4.182 -5.322 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.002 3.099 -5.483 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.263 3.616 -7.293 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.690 3.861 -8.027 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -16.669 1.527 -8.239 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.023 1.618 -7.642 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.297 0.791 -6.757 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -17.864 0.177 -5.158 1.00 0.38 H new ATOM 330 N SER A 23 -15.398 6.237 -5.601 1.00 0.41 N ATOM 331 CA SER A 23 -14.656 7.468 -5.561 1.00 0.47 C ATOM 332 C SER A 23 -13.752 7.430 -4.346 1.00 0.41 C ATOM 333 O SER A 23 -12.836 8.239 -4.190 1.00 0.49 O ATOM 334 CB SER A 23 -15.612 8.670 -5.517 1.00 0.52 C ATOM 335 OG SER A 23 -14.916 9.906 -5.555 1.00 1.36 O ATOM 0 H SER A 23 -16.346 6.301 -5.229 1.00 0.41 H new ATOM 0 HA SER A 23 -14.050 7.579 -6.460 1.00 0.47 H new ATOM 0 HB2 SER A 23 -16.301 8.616 -6.360 1.00 0.52 H new ATOM 0 HB3 SER A 23 -16.214 8.621 -4.610 1.00 0.52 H new ATOM 0 HG SER A 23 -14.006 9.780 -5.213 1.00 1.36 H new ATOM 341 N ASP A 24 -14.020 6.448 -3.501 1.00 0.31 N ATOM 342 CA ASP A 24 -13.233 6.199 -2.331 1.00 0.34 C ATOM 343 C ASP A 24 -12.249 5.088 -2.622 1.00 0.35 C ATOM 344 O ASP A 24 -11.062 5.170 -2.322 1.00 0.53 O ATOM 345 CB ASP A 24 -14.127 5.763 -1.180 1.00 0.36 C ATOM 346 CG ASP A 24 -15.136 6.810 -0.754 1.00 0.86 C ATOM 347 OD1 ASP A 24 -16.010 6.479 0.068 1.00 1.27 O ATOM 348 OD2 ASP A 24 -15.070 7.963 -1.236 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.800 5.802 -3.620 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.707 7.114 -2.058 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.659 4.857 -1.470 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.502 5.506 -0.325 1.00 0.36 H new ATOM 353 N VAL A 25 -12.784 4.061 -3.253 1.00 0.22 N ATOM 354 CA VAL A 25 -12.119 2.788 -3.381 1.00 0.20 C ATOM 355 C VAL A 25 -11.231 2.703 -4.607 1.00 0.22 C ATOM 356 O VAL A 25 -10.072 2.319 -4.509 1.00 0.23 O ATOM 357 CB VAL A 25 -13.144 1.634 -3.412 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.495 0.324 -3.820 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.820 1.485 -2.067 1.00 0.85 C ATOM 0 H VAL A 25 -13.703 4.092 -3.695 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.479 2.694 -2.504 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.897 1.884 -4.160 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.246 -0.466 -3.831 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.062 0.427 -4.815 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.711 0.069 -3.107 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.539 0.667 -2.110 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.071 1.271 -1.305 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.338 2.410 -1.816 1.00 0.85 H new ATOM 369 N ASP A 26 -11.788 3.037 -5.754 1.00 0.25 N ATOM 370 CA ASP A 26 -11.079 2.902 -7.020 1.00 0.27 C ATOM 371 C ASP A 26 -9.763 3.671 -7.010 1.00 0.23 C ATOM 372 O ASP A 26 -8.728 3.097 -7.289 1.00 0.22 O ATOM 373 CB ASP A 26 -11.945 3.355 -8.195 1.00 0.32 C ATOM 374 CG ASP A 26 -11.180 3.377 -9.505 1.00 0.39 C ATOM 375 OD1 ASP A 26 -10.781 2.292 -9.979 1.00 0.51 O ATOM 376 OD2 ASP A 26 -10.985 4.474 -10.069 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.735 3.406 -5.840 1.00 0.25 H new ATOM 0 HA ASP A 26 -10.854 1.843 -7.146 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -12.802 2.688 -8.289 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.338 4.351 -7.990 1.00 0.32 H new ATOM 381 N ASP A 27 -9.803 4.953 -6.657 1.00 0.22 N ATOM 382 CA ASP A 27 -8.592 5.779 -6.609 1.00 0.21 C ATOM 383 C ASP A 27 -7.662 5.263 -5.550 1.00 0.16 C ATOM 384 O ASP A 27 -6.447 5.267 -5.731 1.00 0.16 O ATOM 385 CB ASP A 27 -8.898 7.246 -6.302 1.00 0.24 C ATOM 386 CG ASP A 27 -9.509 7.980 -7.477 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.743 7.907 -7.650 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.762 8.639 -8.231 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.658 5.445 -6.400 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.133 5.720 -7.596 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.579 7.300 -5.453 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -7.978 7.749 -6.005 1.00 0.24 H new ATOM 393 N PHE A 28 -8.244 4.821 -4.443 1.00 0.13 N ATOM 394 CA PHE A 28 -7.474 4.191 -3.398 1.00 0.10 C ATOM 395 C PHE A 28 -6.687 3.079 -4.015 1.00 0.10 C ATOM 396 O PHE A 28 -5.474 3.125 -4.103 1.00 0.09 O ATOM 397 CB PHE A 28 -8.361 3.601 -2.298 1.00 0.09 C ATOM 398 CG PHE A 28 -7.584 2.762 -1.341 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.905 3.329 -0.278 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.578 1.396 -1.479 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.241 2.541 0.623 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.904 0.605 -0.588 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.062 1.238 0.383 1.00 0.08 C ATOM 0 H PHE A 28 -9.244 4.890 -4.253 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.834 4.946 -2.942 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.851 4.409 -1.756 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.148 2.998 -2.752 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.899 4.402 -0.158 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.111 0.940 -2.300 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.859 2.975 1.535 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -7.005 -0.470 -0.616 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.302 0.677 0.907 1.00 0.08 H new ATOM 413 N ASN A 29 -7.438 2.131 -4.518 1.00 0.12 N ATOM 414 CA ASN A 29 -6.908 0.903 -5.074 1.00 0.13 C ATOM 415 C ASN A 29 -6.034 1.165 -6.262 1.00 0.13 C ATOM 416 O ASN A 29 -5.151 0.386 -6.579 1.00 0.14 O ATOM 417 CB ASN A 29 -8.056 0.009 -5.492 1.00 0.19 C ATOM 418 CG ASN A 29 -8.536 -0.860 -4.360 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.083 -1.989 -4.189 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.441 -0.328 -3.563 1.00 0.23 N ATOM 0 H ASN A 29 -8.456 2.189 -4.555 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.303 0.419 -4.307 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -8.881 0.623 -5.852 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.741 -0.621 -6.324 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -9.793 -0.858 -2.766 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.789 0.614 -3.743 1.00 0.23 H new ATOM 427 N THR A 30 -6.285 2.261 -6.915 1.00 0.13 N ATOM 428 CA THR A 30 -5.575 2.592 -8.106 1.00 0.14 C ATOM 429 C THR A 30 -4.224 3.177 -7.782 1.00 0.12 C ATOM 430 O THR A 30 -3.211 2.775 -8.346 1.00 0.12 O ATOM 431 CB THR A 30 -6.361 3.590 -8.937 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.501 2.958 -9.531 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.486 4.202 -10.001 1.00 0.17 C ATOM 0 H THR A 30 -6.986 2.946 -6.635 1.00 0.13 H new ATOM 0 HA THR A 30 -5.440 1.672 -8.675 1.00 0.14 H new ATOM 0 HB THR A 30 -6.709 4.386 -8.278 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.283 3.086 -8.955 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.068 4.914 -10.586 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.648 4.717 -9.531 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.108 3.418 -10.657 1.00 0.17 H new ATOM 441 N LEU A 31 -4.219 4.123 -6.862 1.00 0.12 N ATOM 442 CA LEU A 31 -2.998 4.753 -6.440 1.00 0.12 C ATOM 443 C LEU A 31 -2.195 3.707 -5.723 1.00 0.11 C ATOM 444 O LEU A 31 -0.990 3.624 -5.842 1.00 0.12 O ATOM 445 CB LEU A 31 -3.320 5.927 -5.523 1.00 0.14 C ATOM 446 CG LEU A 31 -2.196 6.945 -5.343 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.697 7.394 -6.703 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.702 8.135 -4.558 1.00 0.53 C ATOM 0 H LEU A 31 -5.057 4.469 -6.394 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.432 5.145 -7.285 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.196 6.444 -5.916 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.594 5.536 -4.543 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.375 6.484 -4.794 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.895 8.121 -6.575 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.321 6.533 -7.255 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.516 7.852 -7.258 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.896 8.858 -4.433 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.527 8.602 -5.096 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.048 7.804 -3.579 1.00 0.53 H new ATOM 460 N TYR A 32 -2.941 2.870 -5.050 1.00 0.09 N ATOM 461 CA TYR A 32 -2.446 1.717 -4.333 1.00 0.07 C ATOM 462 C TYR A 32 -1.780 0.740 -5.277 1.00 0.08 C ATOM 463 O TYR A 32 -0.668 0.280 -5.037 1.00 0.08 O ATOM 464 CB TYR A 32 -3.655 1.098 -3.685 1.00 0.07 C ATOM 465 CG TYR A 32 -3.477 -0.274 -3.118 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.994 -0.438 -1.833 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.762 -1.395 -3.865 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.798 -1.690 -1.306 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.573 -2.652 -3.349 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.210 -2.816 -2.072 1.00 0.08 C ATOM 471 OH TYR A 32 -2.898 -4.055 -1.551 1.00 0.15 O ATOM 0 H TYR A 32 -3.953 2.975 -4.982 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.692 1.994 -3.596 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.989 1.758 -2.884 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.457 1.061 -4.423 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.768 0.432 -1.235 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.139 -1.283 -4.871 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.343 -1.817 -0.335 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.719 -3.517 -3.979 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.226 -4.755 -2.153 1.00 0.15 H new ATOM 481 N ASP A 33 -2.473 0.452 -6.365 1.00 0.10 N ATOM 482 CA ASP A 33 -1.977 -0.444 -7.390 1.00 0.11 C ATOM 483 C ASP A 33 -0.781 0.182 -8.045 1.00 0.09 C ATOM 484 O ASP A 33 0.089 -0.486 -8.600 1.00 0.11 O ATOM 485 CB ASP A 33 -3.041 -0.688 -8.453 1.00 0.16 C ATOM 486 CG ASP A 33 -3.630 -2.079 -8.361 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.535 -2.285 -7.527 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.210 -2.968 -9.134 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.398 0.835 -6.561 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.713 -1.395 -6.927 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.836 0.050 -8.345 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.605 -0.544 -9.442 1.00 0.16 H new ATOM 493 N ALA A 34 -0.775 1.485 -7.949 1.00 0.08 N ATOM 494 CA ALA A 34 0.211 2.320 -8.574 1.00 0.09 C ATOM 495 C ALA A 34 1.524 2.283 -7.821 1.00 0.08 C ATOM 496 O ALA A 34 2.595 2.387 -8.420 1.00 0.09 O ATOM 497 CB ALA A 34 -0.316 3.720 -8.617 1.00 0.10 C ATOM 0 H ALA A 34 -1.474 2.006 -7.420 1.00 0.08 H new ATOM 0 HA ALA A 34 0.403 1.953 -9.582 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.420 4.371 -9.089 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.242 3.743 -9.191 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.510 4.067 -7.602 1.00 0.10 H new ATOM 503 N PHE A 35 1.435 2.131 -6.497 1.00 0.06 N ATOM 504 CA PHE A 35 2.621 2.003 -5.662 1.00 0.06 C ATOM 505 C PHE A 35 3.383 0.794 -6.085 1.00 0.06 C ATOM 506 O PHE A 35 4.563 0.671 -5.841 1.00 0.08 O ATOM 507 CB PHE A 35 2.253 1.810 -4.211 1.00 0.05 C ATOM 508 CG PHE A 35 1.827 3.042 -3.516 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.672 3.682 -2.639 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.578 3.549 -3.736 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.265 4.824 -1.996 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.159 4.689 -3.106 1.00 0.06 C ATOM 513 CZ PHE A 35 1.006 5.332 -2.233 1.00 0.06 C ATOM 0 H PHE A 35 0.553 2.094 -5.986 1.00 0.06 H new ATOM 0 HA PHE A 35 3.207 2.915 -5.774 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.449 1.076 -4.148 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.110 1.390 -3.685 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.659 3.284 -2.456 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.089 3.042 -4.418 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.929 5.323 -1.306 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.830 5.081 -3.293 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.684 6.234 -1.734 1.00 0.06 H new ATOM 523 N TYR A 36 2.669 -0.108 -6.693 1.00 0.06 N ATOM 524 CA TYR A 36 3.253 -1.312 -7.174 1.00 0.06 C ATOM 525 C TYR A 36 3.640 -1.144 -8.611 1.00 0.08 C ATOM 526 O TYR A 36 2.847 -0.737 -9.462 1.00 0.11 O ATOM 527 CB TYR A 36 2.303 -2.477 -7.030 1.00 0.07 C ATOM 528 CG TYR A 36 1.856 -2.745 -5.622 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.707 -3.350 -4.718 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.573 -2.428 -5.212 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.287 -3.643 -3.436 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.146 -2.706 -3.933 1.00 0.08 C ATOM 533 CZ TYR A 36 1.003 -3.316 -3.049 1.00 0.07 C ATOM 534 OH TYR A 36 0.569 -3.614 -1.779 1.00 0.11 O ATOM 0 H TYR A 36 1.667 -0.024 -6.866 1.00 0.06 H new ATOM 0 HA TYR A 36 4.140 -1.525 -6.577 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.424 -2.292 -7.648 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.785 -3.373 -7.422 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.715 -3.597 -5.018 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.105 -1.955 -5.907 1.00 0.07 H new ATOM 0 HE1 TYR A 36 2.958 -4.125 -2.741 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.856 -2.446 -3.626 1.00 0.08 H new ATOM 0 HH TYR A 36 1.338 -3.845 -1.216 1.00 0.11 H new ATOM 544 N THR A 37 4.879 -1.445 -8.851 1.00 0.08 N ATOM 545 CA THR A 37 5.455 -1.343 -10.182 1.00 0.11 C ATOM 546 C THR A 37 4.791 -2.335 -11.136 1.00 0.14 C ATOM 547 O THR A 37 4.795 -2.151 -12.354 1.00 0.17 O ATOM 548 CB THR A 37 6.971 -1.596 -10.151 1.00 0.12 C ATOM 549 OG1 THR A 37 7.246 -2.999 -10.183 1.00 0.14 O ATOM 550 CG2 THR A 37 7.562 -1.023 -8.889 1.00 0.11 C ATOM 0 H THR A 37 5.531 -1.770 -8.137 1.00 0.08 H new ATOM 0 HA THR A 37 5.277 -0.329 -10.539 1.00 0.11 H new ATOM 0 HB THR A 37 7.412 -1.117 -11.025 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.215 -3.143 -10.164 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.636 -1.206 -8.874 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.377 0.051 -8.855 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.101 -1.498 -8.023 1.00 0.11 H new ATOM 558 N ASN A 38 4.216 -3.381 -10.559 1.00 0.15 N ATOM 559 CA ASN A 38 3.519 -4.408 -11.311 1.00 0.26 C ATOM 560 C ASN A 38 2.243 -4.767 -10.566 1.00 0.29 C ATOM 561 O ASN A 38 2.174 -4.619 -9.346 1.00 0.71 O ATOM 562 CB ASN A 38 4.417 -5.644 -11.486 1.00 0.38 C ATOM 563 CG ASN A 38 4.750 -6.355 -10.179 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.741 -5.760 -9.099 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.062 -7.637 -10.272 1.00 0.99 N ATOM 0 H ASN A 38 4.221 -3.539 -9.551 1.00 0.15 H new ATOM 0 HA ASN A 38 3.269 -4.039 -12.305 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.923 -6.348 -12.156 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.345 -5.341 -11.970 1.00 0.38 H new ATOM 0 HD21 ASN A 38 5.305 -8.165 -9.434 1.00 0.99 H new ATOM 0 HD22 ASN A 38 5.059 -8.098 -11.182 1.00 0.99 H new ATOM 572 N SER A 39 1.231 -5.227 -11.285 1.00 0.33 N ATOM 573 CA SER A 39 -0.051 -5.525 -10.660 1.00 0.28 C ATOM 574 C SER A 39 0.004 -6.814 -9.858 1.00 0.22 C ATOM 575 O SER A 39 -0.974 -7.195 -9.213 1.00 0.24 O ATOM 576 CB SER A 39 -1.164 -5.594 -11.696 1.00 0.35 C ATOM 577 OG SER A 39 -0.773 -6.359 -12.824 1.00 0.36 O ATOM 0 H SER A 39 1.269 -5.401 -12.289 1.00 0.33 H new ATOM 0 HA SER A 39 -0.270 -4.709 -9.971 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.055 -6.034 -11.247 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.431 -4.586 -12.013 1.00 0.35 H new ATOM 0 HG SER A 39 -1.508 -6.387 -13.471 1.00 0.36 H new ATOM 583 N ASN A 40 1.150 -7.484 -9.895 1.00 0.20 N ATOM 584 CA ASN A 40 1.392 -8.604 -9.004 1.00 0.20 C ATOM 585 C ASN A 40 1.654 -8.078 -7.609 1.00 0.16 C ATOM 586 O ASN A 40 1.561 -8.806 -6.619 1.00 0.18 O ATOM 587 CB ASN A 40 2.567 -9.455 -9.468 1.00 0.26 C ATOM 588 CG ASN A 40 2.342 -10.067 -10.837 1.00 0.43 C ATOM 589 OD1 ASN A 40 2.678 -9.472 -11.859 1.00 1.09 O ATOM 590 ND2 ASN A 40 1.757 -11.253 -10.869 1.00 1.15 N ATOM 0 H ASN A 40 1.920 -7.270 -10.529 1.00 0.20 H new ATOM 0 HA ASN A 40 0.508 -9.241 -9.008 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.467 -8.841 -9.493 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.743 -10.250 -8.744 1.00 0.26 H new ATOM 0 HD21 ASN A 40 1.570 -11.705 -11.764 1.00 1.15 H new ATOM 0 HD22 ASN A 40 1.493 -11.715 -9.999 1.00 1.15 H new ATOM 597 N LYS A 41 1.959 -6.770 -7.559 1.00 0.13 N ATOM 598 CA LYS A 41 2.139 -6.042 -6.325 1.00 0.11 C ATOM 599 C LYS A 41 3.197 -6.692 -5.474 1.00 0.11 C ATOM 600 O LYS A 41 3.089 -6.794 -4.254 1.00 0.12 O ATOM 601 CB LYS A 41 0.791 -5.915 -5.663 1.00 0.11 C ATOM 602 CG LYS A 41 -0.226 -5.409 -6.656 1.00 0.13 C ATOM 603 CD LYS A 41 -1.622 -5.585 -6.157 1.00 0.17 C ATOM 604 CE LYS A 41 -2.270 -4.254 -5.954 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.754 -4.360 -5.931 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.085 -6.196 -8.393 1.00 0.13 H new ATOM 0 HA LYS A 41 2.513 -5.034 -6.503 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.477 -6.882 -5.270 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.856 -5.232 -4.816 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.043 -4.354 -6.859 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.108 -5.940 -7.600 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.199 -6.173 -6.870 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.613 -6.140 -5.219 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.922 -3.819 -5.017 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.966 -3.576 -6.752 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.170 -3.499 -6.339 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.052 -5.186 -6.489 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -4.079 -4.470 -4.949 1.00 0.66 H new ATOM 619 N THR A 42 4.242 -7.086 -6.176 1.00 0.11 N ATOM 620 CA THR A 42 5.391 -7.738 -5.600 1.00 0.12 C ATOM 621 C THR A 42 6.573 -6.781 -5.601 1.00 0.10 C ATOM 622 O THR A 42 7.672 -7.109 -5.159 1.00 0.13 O ATOM 623 CB THR A 42 5.719 -8.987 -6.417 1.00 0.16 C ATOM 624 OG1 THR A 42 5.924 -8.636 -7.793 1.00 0.18 O ATOM 625 CG2 THR A 42 4.575 -9.969 -6.304 1.00 0.21 C ATOM 0 H THR A 42 4.312 -6.956 -7.185 1.00 0.11 H new ATOM 0 HA THR A 42 5.177 -8.029 -4.572 1.00 0.12 H new ATOM 0 HB THR A 42 6.632 -9.441 -6.032 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.135 -9.442 -8.308 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.804 -10.862 -6.885 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.432 -10.243 -5.259 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.663 -9.511 -6.687 1.00 0.21 H new ATOM 633 N ALA A 43 6.302 -5.576 -6.077 1.00 0.09 N ATOM 634 CA ALA A 43 7.322 -4.570 -6.284 1.00 0.09 C ATOM 635 C ALA A 43 6.697 -3.192 -6.212 1.00 0.07 C ATOM 636 O ALA A 43 5.545 -3.015 -6.588 1.00 0.09 O ATOM 637 CB ALA A 43 7.986 -4.782 -7.626 1.00 0.10 C ATOM 0 H ALA A 43 5.362 -5.271 -6.331 1.00 0.09 H new ATOM 0 HA ALA A 43 8.080 -4.653 -5.505 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.753 -4.022 -7.777 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.444 -5.771 -7.653 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.240 -4.706 -8.417 1.00 0.10 H new ATOM 643 N LEU A 44 7.452 -2.227 -5.719 1.00 0.06 N ATOM 644 CA LEU A 44 6.918 -0.912 -5.446 1.00 0.06 C ATOM 645 C LEU A 44 7.702 0.241 -6.062 1.00 0.08 C ATOM 646 O LEU A 44 8.936 0.255 -6.094 1.00 0.09 O ATOM 647 CB LEU A 44 6.849 -0.741 -3.960 1.00 0.06 C ATOM 648 CG LEU A 44 5.809 -1.610 -3.307 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.439 -2.535 -2.304 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.831 -0.740 -2.624 1.00 0.05 C ATOM 0 H LEU A 44 8.442 -2.334 -5.500 1.00 0.06 H new ATOM 0 HA LEU A 44 5.935 -0.866 -5.915 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.824 -0.968 -3.530 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.635 0.303 -3.731 1.00 0.06 H new ATOM 0 HG LEU A 44 5.318 -2.214 -4.070 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.668 -3.153 -1.845 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.166 -3.174 -2.805 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.941 -1.949 -1.534 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.069 -1.355 -2.145 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.341 -0.141 -1.870 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.359 -0.081 -3.353 1.00 0.05 H new ATOM 662 N LYS A 45 6.933 1.210 -6.528 1.00 0.10 N ATOM 663 CA LYS A 45 7.427 2.421 -7.123 1.00 0.12 C ATOM 664 C LYS A 45 7.607 3.464 -6.068 1.00 0.12 C ATOM 665 O LYS A 45 6.693 3.754 -5.304 1.00 0.14 O ATOM 666 CB LYS A 45 6.443 2.955 -8.141 1.00 0.15 C ATOM 667 CG LYS A 45 6.816 2.655 -9.569 1.00 0.26 C ATOM 668 CD LYS A 45 8.128 3.316 -9.967 1.00 1.23 C ATOM 669 CE LYS A 45 8.344 3.270 -11.473 1.00 1.55 C ATOM 670 NZ LYS A 45 7.272 3.987 -12.213 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.914 1.165 -6.497 1.00 0.10 H new ATOM 0 HA LYS A 45 8.376 2.195 -7.609 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.459 2.532 -7.937 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.358 4.035 -8.018 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.898 1.576 -9.703 1.00 0.26 H new ATOM 0 HG3 LYS A 45 6.021 2.999 -10.231 1.00 0.26 H new ATOM 0 HD2 LYS A 45 8.131 4.353 -9.630 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.956 2.815 -9.465 1.00 1.23 H new ATOM 0 HE2 LYS A 45 9.310 3.714 -11.714 1.00 1.55 H new ATOM 0 HE3 LYS A 45 8.379 2.232 -11.802 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 7.621 4.258 -13.154 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 6.445 3.364 -12.316 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 6.998 4.841 -11.686 1.00 1.95 H new ATOM 684 N ASN A 46 8.753 4.069 -6.083 1.00 0.15 N ATOM 685 CA ASN A 46 9.120 4.987 -5.002 1.00 0.15 C ATOM 686 C ASN A 46 8.481 6.356 -5.180 1.00 0.14 C ATOM 687 O ASN A 46 8.326 7.108 -4.219 1.00 0.17 O ATOM 688 CB ASN A 46 10.629 5.114 -4.834 1.00 0.22 C ATOM 689 CG ASN A 46 11.172 3.955 -4.103 1.00 0.62 C ATOM 690 OD1 ASN A 46 11.454 4.013 -2.908 1.00 1.78 O ATOM 691 ND2 ASN A 46 11.294 2.903 -4.812 1.00 0.54 N ATOM 0 H ASN A 46 9.457 3.959 -6.813 1.00 0.15 H new ATOM 0 HA ASN A 46 8.726 4.548 -4.085 1.00 0.15 H new ATOM 0 HB2 ASN A 46 11.104 5.188 -5.812 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.864 6.032 -4.296 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.644 2.042 -4.391 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.042 2.922 -5.800 1.00 0.54 H new ATOM 698 N SER A 47 8.096 6.671 -6.409 1.00 0.14 N ATOM 699 CA SER A 47 7.412 7.926 -6.696 1.00 0.16 C ATOM 700 C SER A 47 6.035 7.945 -6.036 1.00 0.13 C ATOM 701 O SER A 47 5.508 8.995 -5.674 1.00 0.17 O ATOM 702 CB SER A 47 7.264 8.093 -8.205 1.00 0.21 C ATOM 703 OG SER A 47 8.474 7.770 -8.871 1.00 1.32 O ATOM 0 H SER A 47 8.245 6.076 -7.224 1.00 0.14 H new ATOM 0 HA SER A 47 8.002 8.750 -6.295 1.00 0.16 H new ATOM 0 HB2 SER A 47 6.461 7.451 -8.569 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.980 9.120 -8.435 1.00 0.21 H new ATOM 0 HG SER A 47 8.356 7.882 -9.837 1.00 1.32 H new ATOM 709 N GLN A 48 5.468 6.758 -5.868 1.00 0.10 N ATOM 710 CA GLN A 48 4.151 6.600 -5.298 1.00 0.10 C ATOM 711 C GLN A 48 4.164 6.832 -3.802 1.00 0.09 C ATOM 712 O GLN A 48 3.150 7.183 -3.224 1.00 0.10 O ATOM 713 CB GLN A 48 3.669 5.202 -5.616 1.00 0.13 C ATOM 714 CG GLN A 48 3.704 4.899 -7.103 1.00 0.15 C ATOM 715 CD GLN A 48 2.681 5.698 -7.889 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.537 5.969 -7.278 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 2.913 6.059 -9.039 1.00 0.49 N flip ATOM 0 H GLN A 48 5.916 5.879 -6.126 1.00 0.10 H new ATOM 0 HA GLN A 48 3.477 7.341 -5.727 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.289 4.478 -5.086 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.650 5.080 -5.247 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.700 5.113 -7.490 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.524 3.835 -7.257 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.806 5.831 -9.475 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.212 6.587 -9.559 1.00 0.49 H new ATOM 726 N PHE A 49 5.325 6.667 -3.185 1.00 0.09 N ATOM 727 CA PHE A 49 5.456 6.795 -1.737 1.00 0.09 C ATOM 728 C PHE A 49 5.009 8.171 -1.252 1.00 0.11 C ATOM 729 O PHE A 49 4.644 8.347 -0.088 1.00 0.13 O ATOM 730 CB PHE A 49 6.896 6.567 -1.292 1.00 0.09 C ATOM 731 CG PHE A 49 7.447 5.193 -1.540 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.611 4.821 -0.914 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.818 4.281 -2.367 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.146 3.575 -1.091 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.356 3.019 -2.558 1.00 0.11 C ATOM 736 CZ PHE A 49 8.522 2.667 -1.914 1.00 0.07 C ATOM 0 H PHE A 49 6.196 6.443 -3.666 1.00 0.09 H new ATOM 0 HA PHE A 49 4.812 6.033 -1.299 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.533 7.290 -1.801 1.00 0.09 H new ATOM 0 HB3 PHE A 49 6.964 6.778 -0.225 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.114 5.526 -0.269 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.901 4.554 -2.868 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.060 3.304 -0.584 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.863 2.313 -3.210 1.00 0.11 H new ATOM 0 HZ PHE A 49 8.944 1.683 -2.055 1.00 0.07 H new ATOM 746 N ASP A 50 5.025 9.137 -2.159 1.00 0.11 N ATOM 747 CA ASP A 50 4.622 10.502 -1.844 1.00 0.15 C ATOM 748 C ASP A 50 3.118 10.549 -1.663 1.00 0.15 C ATOM 749 O ASP A 50 2.569 11.391 -0.953 1.00 0.20 O ATOM 750 CB ASP A 50 5.042 11.431 -2.980 1.00 0.19 C ATOM 751 CG ASP A 50 4.654 12.874 -2.735 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.674 13.346 -3.347 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.319 13.543 -1.916 1.00 0.36 O1- ATOM 0 H ASP A 50 5.315 9.000 -3.127 1.00 0.11 H new ATOM 0 HA ASP A 50 5.105 10.827 -0.923 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.122 11.368 -3.114 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.585 11.090 -3.909 1.00 0.19 H new ATOM 758 N LYS A 51 2.475 9.595 -2.306 1.00 0.11 N ATOM 759 CA LYS A 51 1.039 9.454 -2.297 1.00 0.11 C ATOM 760 C LYS A 51 0.623 8.422 -1.271 1.00 0.10 C ATOM 761 O LYS A 51 -0.502 7.971 -1.288 1.00 0.11 O ATOM 762 CB LYS A 51 0.563 9.020 -3.673 1.00 0.13 C ATOM 763 CG LYS A 51 1.600 9.226 -4.743 1.00 0.14 C ATOM 764 CD LYS A 51 1.011 9.154 -6.116 1.00 0.49 C ATOM 765 CE LYS A 51 1.918 9.807 -7.134 1.00 0.45 C ATOM 766 NZ LYS A 51 1.338 9.783 -8.503 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.950 8.882 -2.860 1.00 0.11 H new ATOM 0 HA LYS A 51 0.590 10.413 -2.039 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.286 7.966 -3.640 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.336 9.578 -3.933 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.077 10.196 -4.604 1.00 0.14 H new ATOM 0 HG3 LYS A 51 2.379 8.470 -4.643 1.00 0.14 H new ATOM 0 HD2 LYS A 51 0.844 8.112 -6.389 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.038 9.645 -6.124 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.107 10.839 -6.840 1.00 0.45 H new ATOM 0 HE3 LYS A 51 2.881 9.296 -7.141 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 1.995 10.241 -9.166 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 1.181 8.798 -8.796 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 0.432 10.293 -8.505 1.00 1.47 H new ATOM 780 N LEU A 52 1.543 7.982 -0.425 1.00 0.09 N ATOM 781 CA LEU A 52 1.195 7.023 0.609 1.00 0.08 C ATOM 782 C LEU A 52 0.290 7.669 1.646 1.00 0.09 C ATOM 783 O LEU A 52 -0.660 7.054 2.122 1.00 0.09 O ATOM 784 CB LEU A 52 2.444 6.465 1.270 1.00 0.08 C ATOM 785 CG LEU A 52 2.310 5.064 1.838 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.447 5.110 3.330 1.00 0.07 C ATOM 787 CD2 LEU A 52 1.001 4.399 1.430 1.00 0.08 C ATOM 0 H LEU A 52 2.522 8.269 -0.434 1.00 0.09 H new ATOM 0 HA LEU A 52 0.658 6.197 0.143 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.253 6.467 0.539 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.740 7.138 2.075 1.00 0.08 H new ATOM 0 HG LEU A 52 3.111 4.454 1.421 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.350 4.103 3.735 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.424 5.515 3.593 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.666 5.746 3.748 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.951 3.399 1.860 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.162 4.993 1.794 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.952 4.329 0.343 1.00 0.08 H new ATOM 799 N SER A 53 0.575 8.916 1.984 1.00 0.10 N ATOM 800 CA SER A 53 -0.321 9.684 2.831 1.00 0.11 C ATOM 801 C SER A 53 -1.616 9.947 2.072 1.00 0.11 C ATOM 802 O SER A 53 -2.672 10.169 2.658 1.00 0.13 O ATOM 803 CB SER A 53 0.341 10.996 3.243 1.00 0.14 C ATOM 804 OG SER A 53 0.780 11.715 2.102 1.00 1.25 O ATOM 0 H SER A 53 1.414 9.415 1.687 1.00 0.10 H new ATOM 0 HA SER A 53 -0.545 9.121 3.737 1.00 0.11 H new ATOM 0 HB2 SER A 53 -0.364 11.602 3.812 1.00 0.14 H new ATOM 0 HB3 SER A 53 1.188 10.792 3.899 1.00 0.14 H new ATOM 0 HG SER A 53 1.200 12.554 2.386 1.00 1.25 H new ATOM 810 N GLN A 54 -1.509 9.895 0.752 1.00 0.10 N ATOM 811 CA GLN A 54 -2.642 10.031 -0.126 1.00 0.11 C ATOM 812 C GLN A 54 -3.426 8.724 -0.180 1.00 0.09 C ATOM 813 O GLN A 54 -4.640 8.715 -0.242 1.00 0.10 O ATOM 814 CB GLN A 54 -2.161 10.411 -1.504 1.00 0.12 C ATOM 815 CG GLN A 54 -3.280 10.657 -2.478 1.00 0.17 C ATOM 816 CD GLN A 54 -3.176 11.996 -3.165 1.00 0.69 C ATOM 817 OE1 GLN A 54 -3.633 13.017 -2.652 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.609 11.992 -4.352 1.00 0.70 N ATOM 0 H GLN A 54 -0.623 9.756 0.265 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.302 10.811 0.253 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.547 11.309 -1.432 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.521 9.617 -1.890 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.281 9.868 -3.230 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.233 10.597 -1.952 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.243 11.122 -4.740 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.535 12.859 -4.885 1.00 0.70 H new ATOM 827 N LEU A 55 -2.702 7.625 -0.152 1.00 0.08 N ATOM 828 CA LEU A 55 -3.265 6.299 -0.080 1.00 0.07 C ATOM 829 C LEU A 55 -3.929 6.137 1.264 1.00 0.07 C ATOM 830 O LEU A 55 -4.899 5.404 1.424 1.00 0.08 O ATOM 831 CB LEU A 55 -2.134 5.292 -0.262 1.00 0.06 C ATOM 832 CG LEU A 55 -2.434 4.101 -1.155 1.00 0.06 C ATOM 833 CD1 LEU A 55 -3.017 2.961 -0.345 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.376 4.499 -2.277 1.00 0.10 C ATOM 0 H LEU A 55 -1.682 7.632 -0.179 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.010 6.136 -0.858 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.270 5.817 -0.670 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.846 4.919 0.721 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.499 3.760 -1.599 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.225 2.117 -1.002 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.304 2.657 0.421 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.942 3.288 0.130 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.579 3.632 -2.906 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.311 4.867 -1.854 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -2.916 5.283 -2.878 1.00 0.10 H new ATOM 846 N LYS A 56 -3.402 6.874 2.223 1.00 0.07 N ATOM 847 CA LYS A 56 -3.991 6.943 3.539 1.00 0.08 C ATOM 848 C LYS A 56 -5.187 7.859 3.481 1.00 0.09 C ATOM 849 O LYS A 56 -6.135 7.716 4.228 1.00 0.12 O ATOM 850 CB LYS A 56 -2.981 7.473 4.552 1.00 0.10 C ATOM 851 CG LYS A 56 -3.420 7.314 5.996 1.00 0.11 C ATOM 852 CD LYS A 56 -4.486 6.241 6.137 1.00 0.11 C ATOM 853 CE LYS A 56 -4.824 5.977 7.588 1.00 0.20 C ATOM 854 NZ LYS A 56 -5.401 7.178 8.253 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.559 7.437 2.109 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.296 5.945 3.854 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -2.033 6.954 4.411 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.799 8.529 4.351 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.559 7.057 6.613 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.806 8.263 6.367 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.385 6.549 5.604 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.139 5.319 5.670 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.533 5.152 7.651 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.925 5.665 8.119 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.991 6.880 9.056 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.632 7.788 8.596 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -5.984 7.705 7.572 1.00 0.82 H new ATOM 868 N THR A 57 -5.117 8.787 2.567 1.00 0.09 N ATOM 869 CA THR A 57 -6.166 9.733 2.337 1.00 0.10 C ATOM 870 C THR A 57 -7.337 9.049 1.654 1.00 0.09 C ATOM 871 O THR A 57 -8.489 9.314 1.956 1.00 0.11 O ATOM 872 CB THR A 57 -5.626 10.887 1.487 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.516 12.085 2.259 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.448 11.121 0.240 1.00 0.12 C ATOM 0 H THR A 57 -4.313 8.907 1.951 1.00 0.09 H new ATOM 0 HA THR A 57 -6.520 10.136 3.286 1.00 0.10 H new ATOM 0 HB THR A 57 -4.629 10.596 1.158 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.168 12.807 1.695 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.022 11.949 -0.326 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.442 10.221 -0.374 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.473 11.362 0.520 1.00 0.12 H new ATOM 882 N LEU A 58 -7.016 8.169 0.731 1.00 0.09 N ATOM 883 CA LEU A 58 -7.993 7.381 0.041 1.00 0.09 C ATOM 884 C LEU A 58 -8.559 6.327 0.955 1.00 0.09 C ATOM 885 O LEU A 58 -9.748 6.073 0.950 1.00 0.12 O ATOM 886 CB LEU A 58 -7.307 6.796 -1.160 1.00 0.11 C ATOM 887 CG LEU A 58 -6.801 7.864 -2.102 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.611 7.360 -2.888 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.930 8.332 -3.004 1.00 0.16 C ATOM 0 H LEU A 58 -6.056 7.984 0.441 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.843 7.982 -0.281 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.472 6.176 -0.834 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -8.000 6.144 -1.691 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.459 8.724 -1.526 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.261 8.143 -3.561 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.810 7.087 -2.201 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.903 6.486 -3.470 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.560 9.102 -3.681 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.306 7.489 -3.584 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.736 8.741 -2.395 1.00 0.16 H new ATOM 901 N LEU A 59 -7.700 5.733 1.750 1.00 0.07 N ATOM 902 CA LEU A 59 -8.140 4.872 2.834 1.00 0.07 C ATOM 903 C LEU A 59 -8.979 5.686 3.813 1.00 0.09 C ATOM 904 O LEU A 59 -9.953 5.209 4.358 1.00 0.11 O ATOM 905 CB LEU A 59 -6.921 4.293 3.538 1.00 0.07 C ATOM 906 CG LEU A 59 -7.140 2.971 4.263 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.153 3.184 5.740 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.437 2.337 3.857 1.00 0.08 C ATOM 0 H LEU A 59 -6.688 5.828 1.670 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.746 4.055 2.442 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.130 4.155 2.800 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.559 5.026 4.259 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.318 2.309 3.989 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.310 2.230 6.244 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.199 3.608 6.055 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.959 3.870 6.002 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.565 1.395 4.391 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.261 3.007 4.101 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.429 2.147 2.784 1.00 0.08 H new ATOM 920 N ASP A 60 -8.577 6.921 4.022 1.00 0.09 N ATOM 921 CA ASP A 60 -9.347 7.886 4.797 1.00 0.11 C ATOM 922 C ASP A 60 -10.686 8.132 4.130 1.00 0.12 C ATOM 923 O ASP A 60 -11.654 8.553 4.759 1.00 0.16 O ATOM 924 CB ASP A 60 -8.584 9.206 4.887 1.00 0.17 C ATOM 925 CG ASP A 60 -8.240 9.614 6.303 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.232 9.110 6.851 1.00 0.66 O ATOM 927 OD2 ASP A 60 -8.956 10.473 6.862 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.700 7.293 3.658 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.506 7.486 5.798 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.664 9.124 4.308 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.181 9.993 4.426 1.00 0.17 H new ATOM 932 N LYS A 61 -10.720 7.881 2.838 1.00 0.12 N ATOM 933 CA LYS A 61 -11.944 7.963 2.081 1.00 0.14 C ATOM 934 C LYS A 61 -12.750 6.702 2.265 1.00 0.12 C ATOM 935 O LYS A 61 -13.956 6.670 2.061 1.00 0.17 O ATOM 936 CB LYS A 61 -11.636 8.203 0.615 1.00 0.19 C ATOM 937 CG LYS A 61 -10.900 9.494 0.414 1.00 0.25 C ATOM 938 CD LYS A 61 -11.032 10.016 -1.008 1.00 0.39 C ATOM 939 CE LYS A 61 -10.197 11.269 -1.218 1.00 1.20 C ATOM 940 NZ LYS A 61 -10.413 11.864 -2.564 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.903 7.616 2.288 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.535 8.803 2.446 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -11.038 7.378 0.228 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.565 8.219 0.045 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.283 10.240 1.110 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.846 9.349 0.650 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.717 9.245 -1.711 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -12.078 10.234 -1.222 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -10.447 12.004 -0.453 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -9.142 11.026 -1.094 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -9.825 12.716 -2.665 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -10.150 11.173 -3.295 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -11.415 12.120 -2.674 1.00 1.92 H new ATOM 954 N LEU A 62 -12.063 5.685 2.715 1.00 0.10 N ATOM 955 CA LEU A 62 -12.682 4.406 3.004 1.00 0.11 C ATOM 956 C LEU A 62 -13.145 4.434 4.425 1.00 0.12 C ATOM 957 O LEU A 62 -14.000 3.659 4.838 1.00 0.14 O ATOM 958 CB LEU A 62 -11.718 3.232 2.812 1.00 0.11 C ATOM 959 CG LEU A 62 -11.537 2.754 1.377 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.733 3.146 0.570 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.288 3.304 0.747 1.00 0.11 C ATOM 0 H LEU A 62 -11.059 5.714 2.893 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.510 4.257 2.310 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.743 3.518 3.206 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.071 2.394 3.413 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.436 1.669 1.396 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.606 2.805 -0.458 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.626 2.688 0.997 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.840 4.231 0.582 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.203 2.935 -0.275 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.335 4.393 0.737 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.419 2.984 1.322 1.00 0.11 H new ATOM 973 N GLU A 63 -12.509 5.309 5.171 1.00 0.11 N ATOM 974 CA GLU A 63 -12.848 5.553 6.550 1.00 0.14 C ATOM 975 C GLU A 63 -14.344 5.689 6.759 1.00 0.16 C ATOM 976 O GLU A 63 -15.018 6.439 6.051 1.00 0.20 O ATOM 977 CB GLU A 63 -12.152 6.801 7.043 1.00 0.16 C ATOM 978 CG GLU A 63 -10.865 6.523 7.781 1.00 0.17 C ATOM 979 CD GLU A 63 -10.483 7.630 8.739 1.00 0.85 C ATOM 980 OE1 GLU A 63 -9.280 7.785 9.027 1.00 1.29 O ATOM 981 OE2 GLU A 63 -11.389 8.332 9.230 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.733 5.877 4.831 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.511 4.688 7.122 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.941 7.449 6.193 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.827 7.348 7.701 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.964 5.589 8.334 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.061 6.382 7.058 1.00 0.17 H new ATOM 988 N GLY A 64 -14.855 4.953 7.730 1.00 0.18 N ATOM 989 CA GLY A 64 -16.270 4.967 8.000 1.00 0.20 C ATOM 990 C GLY A 64 -16.997 3.899 7.214 1.00 0.20 C ATOM 991 O GLY A 64 -18.144 3.567 7.508 1.00 0.26 O ATOM 0 H GLY A 64 -14.309 4.343 8.339 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.439 4.814 9.066 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.679 5.946 7.750 1.00 0.20 H new ATOM 995 N SER A 65 -16.320 3.361 6.212 1.00 0.16 N ATOM 996 CA SER A 65 -16.878 2.319 5.365 1.00 0.16 C ATOM 997 C SER A 65 -16.176 0.996 5.664 1.00 0.18 C ATOM 998 O SER A 65 -15.085 0.983 6.215 1.00 0.25 O ATOM 999 CB SER A 65 -16.684 2.711 3.899 1.00 0.19 C ATOM 1000 OG SER A 65 -16.991 4.078 3.700 1.00 0.27 O ATOM 0 H SER A 65 -15.369 3.634 5.963 1.00 0.16 H new ATOM 0 HA SER A 65 -17.944 2.202 5.563 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.654 2.517 3.599 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.322 2.094 3.265 1.00 0.19 H new ATOM 0 HG SER A 65 -16.447 4.432 2.966 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.809 -0.109 5.306 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.240 -1.434 5.539 1.00 0.22 C ATOM 1008 C ARG A 66 -15.030 -1.689 4.663 1.00 0.21 C ATOM 1009 O ARG A 66 -14.171 -2.504 4.990 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.272 -2.510 5.279 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.867 -2.444 3.894 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.484 -3.769 3.522 1.00 0.47 C ATOM 1013 NE ARG A 66 -19.261 -3.716 2.287 1.00 1.46 N ATOM 1014 CZ ARG A 66 -18.943 -4.392 1.182 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -17.774 -5.014 1.096 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -19.780 -4.414 0.153 1.00 3.05 N ATOM 0 H ARG A 66 -17.722 -0.118 4.851 1.00 0.21 H new ATOM 0 HA ARG A 66 -15.927 -1.466 6.583 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -16.812 -3.488 5.423 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.071 -2.423 6.015 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.623 -1.660 3.853 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -17.094 -2.180 3.172 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -17.694 -4.513 3.415 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -19.129 -4.103 4.335 1.00 0.47 H new ATOM 0 HE ARG A 66 -20.095 -3.128 2.268 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -17.117 -4.976 1.876 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -17.532 -5.531 0.250 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -20.667 -3.914 0.207 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -19.536 -4.931 -0.692 1.00 3.05 H new ATOM 1030 N GLU A 67 -14.974 -0.986 3.546 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.856 -1.096 2.634 1.00 0.18 C ATOM 1032 C GLU A 67 -12.605 -0.695 3.334 1.00 0.15 C ATOM 1033 O GLU A 67 -11.565 -1.288 3.148 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.088 -0.206 1.450 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.557 -0.941 0.245 1.00 0.33 C ATOM 1036 CD GLU A 67 -13.578 -1.966 -0.274 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -13.797 -3.171 -0.018 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -12.612 -1.581 -0.960 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.696 -0.329 3.250 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.761 -2.127 2.293 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.824 0.553 1.714 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.162 0.317 1.211 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -15.497 -1.440 0.480 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.767 -0.222 -0.547 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.754 0.313 4.159 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.690 0.814 5.005 1.00 0.13 C ATOM 1047 C HIS A 68 -10.883 -0.283 5.615 1.00 0.14 C ATOM 1048 O HIS A 68 -9.701 -0.188 5.679 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.253 1.606 6.144 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.207 2.389 6.825 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.509 3.413 6.361 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.725 2.131 8.078 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.615 3.776 7.313 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.761 2.985 8.338 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.633 0.820 4.266 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.060 1.424 4.358 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.029 2.277 5.774 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.728 0.933 6.858 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.624 3.852 5.447 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.077 1.356 8.742 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.902 4.584 7.235 1.00 0.17 H new ATOM 1063 N THR A 69 -11.552 -1.276 6.104 1.00 0.15 N ATOM 1064 CA THR A 69 -10.905 -2.410 6.729 1.00 0.16 C ATOM 1065 C THR A 69 -9.946 -3.083 5.779 1.00 0.15 C ATOM 1066 O THR A 69 -8.757 -3.254 6.037 1.00 0.15 O ATOM 1067 CB THR A 69 -11.960 -3.430 7.069 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.868 -2.923 8.057 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.324 -4.723 7.517 1.00 0.21 C ATOM 0 H THR A 69 -12.570 -1.334 6.087 1.00 0.15 H new ATOM 0 HA THR A 69 -10.367 -2.053 7.607 1.00 0.16 H new ATOM 0 HB THR A 69 -12.539 -3.636 6.169 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.544 -3.603 8.259 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.102 -5.447 7.758 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.697 -5.117 6.717 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.712 -4.541 8.400 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.521 -3.417 4.664 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.901 -4.161 3.618 1.00 0.16 C ATOM 1079 C LEU A 70 -8.810 -3.331 3.073 1.00 0.13 C ATOM 1080 O LEU A 70 -7.682 -3.757 2.899 1.00 0.12 O ATOM 1081 CB LEU A 70 -11.007 -4.456 2.585 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.605 -4.736 1.133 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.421 -3.440 0.352 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.363 -5.606 1.084 1.00 0.21 C ATOM 0 H LEU A 70 -11.486 -3.163 4.451 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.464 -5.106 3.941 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.572 -5.317 2.943 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.690 -3.606 2.581 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.414 -5.285 0.652 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.136 -3.671 -0.674 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.356 -2.880 0.352 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.639 -2.841 0.820 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.092 -5.795 0.045 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.541 -5.096 1.587 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.562 -6.553 1.585 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.172 -2.118 2.914 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.373 -1.156 2.275 1.00 0.09 C ATOM 1098 C ALA A 71 -7.349 -0.590 3.228 1.00 0.07 C ATOM 1099 O ALA A 71 -6.358 -0.053 2.810 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.286 -0.100 1.735 1.00 0.10 C ATOM 0 H ALA A 71 -10.069 -1.756 3.239 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.809 -1.602 1.456 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.698 0.666 1.230 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.982 -0.549 1.026 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.844 0.352 2.555 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.598 -0.709 4.513 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.631 -0.378 5.507 1.00 0.09 C ATOM 1108 C LYS A 72 -5.667 -1.490 5.532 1.00 0.10 C ATOM 1109 O LYS A 72 -4.483 -1.310 5.717 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.282 -0.264 6.854 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.323 0.165 7.915 1.00 0.14 C ATOM 1112 CD LYS A 72 -7.005 1.078 8.893 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.328 1.062 10.255 1.00 0.22 C ATOM 1114 NZ LYS A 72 -6.977 1.997 11.212 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.486 -1.041 4.889 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.153 0.575 5.280 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.102 0.452 6.799 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.716 -1.226 7.127 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.930 -0.709 8.435 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.473 0.675 7.462 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -7.005 2.095 8.500 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -8.047 0.778 9.003 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -6.355 0.051 10.661 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -5.278 1.331 10.141 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -6.484 1.954 12.127 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -6.929 2.966 10.837 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -7.972 1.725 11.342 1.00 1.35 H new ATOM 1128 N SER A 73 -6.205 -2.660 5.308 1.00 0.10 N ATOM 1129 CA SER A 73 -5.381 -3.822 5.260 1.00 0.12 C ATOM 1130 C SER A 73 -4.617 -3.851 3.940 1.00 0.11 C ATOM 1131 O SER A 73 -3.629 -4.563 3.805 1.00 0.13 O ATOM 1132 CB SER A 73 -6.198 -5.103 5.466 1.00 0.16 C ATOM 1133 OG SER A 73 -5.361 -6.247 5.528 1.00 1.18 O ATOM 0 H SER A 73 -7.200 -2.825 5.158 1.00 0.10 H new ATOM 0 HA SER A 73 -4.664 -3.776 6.080 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.776 -5.023 6.386 1.00 0.16 H new ATOM 0 HB3 SER A 73 -6.912 -5.216 4.650 1.00 0.16 H new ATOM 0 HG SER A 73 -5.910 -7.047 5.661 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.096 -3.080 2.963 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.372 -2.854 1.740 1.00 0.08 C ATOM 1141 C LYS A 74 -3.392 -1.749 1.931 1.00 0.06 C ATOM 1142 O LYS A 74 -2.204 -1.887 1.680 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.330 -2.460 0.663 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.344 -3.520 0.416 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.361 -3.033 -0.539 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.072 -3.608 -1.878 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.500 -5.028 -2.006 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.996 -2.602 3.010 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.848 -3.769 1.463 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.832 -1.534 0.943 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.781 -2.259 -0.257 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.860 -4.413 0.021 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.821 -3.805 1.354 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.358 -3.325 -0.210 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.346 -1.944 -0.584 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.576 -3.012 -2.639 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -6.002 -3.538 -2.074 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -6.992 -5.474 -2.796 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.285 -5.536 -1.125 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.523 -5.067 -2.187 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.936 -0.651 2.377 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.191 0.531 2.655 1.00 0.04 C ATOM 1163 C TYR A 75 -2.012 0.225 3.543 1.00 0.05 C ATOM 1164 O TYR A 75 -0.889 0.508 3.189 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.074 1.544 3.362 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.240 2.547 4.114 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.040 2.427 5.478 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.596 3.569 3.436 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.216 3.307 6.150 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.779 4.461 4.093 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.589 4.326 5.456 1.00 0.08 C ATOM 1172 OH TYR A 75 -0.756 5.198 6.125 1.00 0.25 O ATOM 0 H TYR A 75 -4.935 -0.558 2.560 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.835 0.934 1.707 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.700 2.058 2.633 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.744 1.031 4.052 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.534 1.636 6.023 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.738 3.668 2.370 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.061 3.200 7.214 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.292 5.257 3.550 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.394 5.854 5.493 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.297 -0.375 4.689 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.310 -0.571 5.734 1.00 0.08 C ATOM 1184 C ASP A 76 -0.230 -1.449 5.189 1.00 0.09 C ATOM 1185 O ASP A 76 0.952 -1.288 5.451 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.918 -1.291 6.927 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.290 -0.884 8.246 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -1.528 0.253 8.704 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.557 -1.708 8.839 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.222 -0.739 4.919 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.934 0.402 6.050 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -2.988 -1.086 6.962 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.803 -2.367 6.793 1.00 0.13 H new ATOM 1194 N SER A 77 -0.713 -2.368 4.397 1.00 0.07 N ATOM 1195 CA SER A 77 0.078 -3.367 3.740 1.00 0.07 C ATOM 1196 C SER A 77 1.045 -2.681 2.816 1.00 0.06 C ATOM 1197 O SER A 77 2.265 -2.785 2.947 1.00 0.06 O ATOM 1198 CB SER A 77 -0.899 -4.242 2.953 1.00 0.08 C ATOM 1199 OG SER A 77 -0.261 -5.193 2.130 1.00 0.10 O ATOM 0 H SER A 77 -1.708 -2.442 4.185 1.00 0.07 H new ATOM 0 HA SER A 77 0.650 -3.974 4.441 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.556 -4.760 3.652 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.531 -3.603 2.335 1.00 0.08 H new ATOM 0 HG SER A 77 -0.937 -5.721 1.655 1.00 0.10 H new ATOM 1205 N LEU A 78 0.456 -1.900 1.953 1.00 0.04 N ATOM 1206 CA LEU A 78 1.132 -1.204 0.907 1.00 0.04 C ATOM 1207 C LEU A 78 2.062 -0.170 1.519 1.00 0.04 C ATOM 1208 O LEU A 78 3.188 0.046 1.077 1.00 0.04 O ATOM 1209 CB LEU A 78 0.024 -0.572 0.087 1.00 0.03 C ATOM 1210 CG LEU A 78 0.426 0.107 -1.198 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.495 1.581 -0.935 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.756 -0.419 -1.689 1.00 0.04 C ATOM 0 H LEU A 78 -0.549 -1.728 1.965 1.00 0.04 H new ATOM 0 HA LEU A 78 1.754 -1.844 0.282 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.704 -1.347 -0.153 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.485 0.161 0.713 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.306 -0.099 -1.979 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.784 2.100 -1.849 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.481 1.938 -0.608 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.232 1.778 -0.157 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.026 0.085 -2.617 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.522 -0.230 -0.937 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.680 -1.492 -1.867 1.00 0.04 H new ATOM 1224 N ALA A 79 1.568 0.401 2.586 1.00 0.04 N ATOM 1225 CA ALA A 79 2.253 1.411 3.348 1.00 0.04 C ATOM 1226 C ALA A 79 3.457 0.829 4.004 1.00 0.05 C ATOM 1227 O ALA A 79 4.476 1.476 4.115 1.00 0.07 O ATOM 1228 CB ALA A 79 1.295 1.990 4.382 1.00 0.05 C ATOM 0 H ALA A 79 0.648 0.168 2.960 1.00 0.04 H new ATOM 0 HA ALA A 79 2.586 2.211 2.687 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.807 2.756 4.964 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.437 2.432 3.876 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.955 1.196 5.047 1.00 0.05 H new ATOM 1234 N THR A 80 3.342 -0.405 4.390 1.00 0.05 N ATOM 1235 CA THR A 80 4.424 -1.096 5.024 1.00 0.05 C ATOM 1236 C THR A 80 5.472 -1.494 4.006 1.00 0.05 C ATOM 1237 O THR A 80 6.656 -1.427 4.274 1.00 0.05 O ATOM 1238 CB THR A 80 3.903 -2.344 5.700 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.012 -1.994 6.769 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.052 -3.181 6.227 1.00 0.07 C ATOM 0 H THR A 80 2.495 -0.962 4.275 1.00 0.05 H new ATOM 0 HA THR A 80 4.874 -0.429 5.760 1.00 0.05 H new ATOM 0 HB THR A 80 3.355 -2.933 4.965 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.277 -1.450 6.417 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.659 -4.075 6.710 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.700 -3.471 5.400 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.624 -2.599 6.950 1.00 0.07 H new ATOM 1248 N GLN A 81 5.017 -1.896 2.832 1.00 0.05 N ATOM 1249 CA GLN A 81 5.861 -2.343 1.794 1.00 0.05 C ATOM 1250 C GLN A 81 6.668 -1.212 1.301 1.00 0.05 C ATOM 1251 O GLN A 81 7.854 -1.353 1.037 1.00 0.05 O ATOM 1252 CB GLN A 81 4.980 -2.923 0.719 1.00 0.05 C ATOM 1253 CG GLN A 81 4.358 -4.181 1.241 1.00 0.05 C ATOM 1254 CD GLN A 81 3.068 -4.568 0.610 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.818 -4.351 -0.569 1.00 0.09 O ATOM 1256 NE2 GLN A 81 2.237 -5.126 1.446 1.00 0.07 N ATOM 0 H GLN A 81 4.026 -1.912 2.592 1.00 0.05 H new ATOM 0 HA GLN A 81 6.557 -3.109 2.136 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.208 -2.208 0.436 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.564 -3.133 -0.177 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.067 -4.998 1.108 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.198 -4.069 2.313 1.00 0.05 H new ATOM 0 HE21 GLN A 81 2.514 -5.276 2.416 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.311 -5.412 1.130 1.00 0.07 H new ATOM 1265 N ILE A 82 6.040 -0.068 1.217 1.00 0.04 N ATOM 1266 CA ILE A 82 6.790 1.078 0.866 1.00 0.04 C ATOM 1267 C ILE A 82 7.608 1.534 2.067 1.00 0.05 C ATOM 1268 O ILE A 82 8.781 1.771 1.923 1.00 0.05 O ATOM 1269 CB ILE A 82 5.961 2.264 0.306 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.213 3.008 1.374 1.00 0.05 C ATOM 1271 CG2 ILE A 82 4.979 1.849 -0.757 1.00 0.05 C ATOM 1272 CD1 ILE A 82 5.955 4.227 1.831 1.00 0.06 C ATOM 0 H ILE A 82 5.045 0.080 1.383 1.00 0.04 H new ATOM 0 HA ILE A 82 7.433 0.769 0.042 1.00 0.04 H new ATOM 0 HB ILE A 82 6.707 2.923 -0.137 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.234 3.300 0.995 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.042 2.348 2.224 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.431 2.724 -1.107 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.516 1.398 -1.592 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.279 1.124 -0.342 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.378 4.735 2.604 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.924 3.933 2.235 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.103 4.900 0.987 1.00 0.06 H new ATOM 1284 N LYS A 83 6.986 1.639 3.255 1.00 0.05 N ATOM 1285 CA LYS A 83 7.685 2.065 4.475 1.00 0.05 C ATOM 1286 C LYS A 83 8.912 1.232 4.743 1.00 0.05 C ATOM 1287 O LYS A 83 9.880 1.702 5.321 1.00 0.06 O ATOM 1288 CB LYS A 83 6.758 1.969 5.675 1.00 0.06 C ATOM 1289 CG LYS A 83 6.389 3.321 6.228 1.00 0.10 C ATOM 1290 CD LYS A 83 5.601 4.093 5.206 1.00 0.12 C ATOM 1291 CE LYS A 83 5.598 5.564 5.509 1.00 0.20 C ATOM 1292 NZ LYS A 83 4.969 5.877 6.819 1.00 0.95 N1+ ATOM 0 H LYS A 83 5.997 1.433 3.393 1.00 0.05 H new ATOM 0 HA LYS A 83 7.995 3.098 4.318 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.851 1.438 5.388 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.239 1.380 6.456 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.803 3.203 7.139 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.290 3.872 6.498 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.025 3.925 4.216 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.576 3.724 5.181 1.00 0.12 H new ATOM 0 HE2 LYS A 83 6.623 5.934 5.505 1.00 0.20 H new ATOM 0 HE3 LYS A 83 5.065 6.093 4.719 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 4.962 6.907 6.964 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 3.992 5.520 6.829 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 5.512 5.424 7.582 1.00 0.95 H new ATOM 1306 N ALA A 84 8.832 -0.008 4.352 1.00 0.05 N ATOM 1307 CA ALA A 84 9.934 -0.916 4.396 1.00 0.05 C ATOM 1308 C ALA A 84 10.991 -0.482 3.458 1.00 0.04 C ATOM 1309 O ALA A 84 12.166 -0.403 3.800 1.00 0.05 O ATOM 1310 CB ALA A 84 9.437 -2.230 3.937 1.00 0.05 C ATOM 0 H ALA A 84 7.975 -0.422 3.985 1.00 0.05 H new ATOM 0 HA ALA A 84 10.341 -0.958 5.406 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.252 -2.954 3.956 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.637 -2.567 4.596 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.056 -2.140 2.920 1.00 0.05 H new ATOM 1316 N ILE A 85 10.549 -0.215 2.258 1.00 0.04 N ATOM 1317 CA ILE A 85 11.416 0.233 1.244 1.00 0.04 C ATOM 1318 C ILE A 85 12.059 1.490 1.711 1.00 0.04 C ATOM 1319 O ILE A 85 13.259 1.644 1.640 1.00 0.05 O ATOM 1320 CB ILE A 85 10.652 0.476 -0.056 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.249 -0.860 -0.633 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.473 1.303 -1.022 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.288 -0.767 -1.778 1.00 0.04 C ATOM 0 H ILE A 85 9.574 -0.308 1.973 1.00 0.04 H new ATOM 0 HA ILE A 85 12.172 -0.525 1.041 1.00 0.04 H new ATOM 0 HB ILE A 85 9.750 1.055 0.141 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.144 -1.385 -0.966 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.800 -1.464 0.156 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.905 1.461 -1.939 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.706 2.267 -0.569 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.399 0.778 -1.255 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.049 -1.769 -2.135 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.375 -0.272 -1.447 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.740 -0.192 -2.586 1.00 0.04 H new ATOM 1335 N GLN A 86 11.234 2.333 2.279 1.00 0.04 N ATOM 1336 CA GLN A 86 11.653 3.569 2.802 1.00 0.05 C ATOM 1337 C GLN A 86 12.669 3.315 3.843 1.00 0.05 C ATOM 1338 O GLN A 86 13.737 3.823 3.758 1.00 0.07 O ATOM 1339 CB GLN A 86 10.488 4.297 3.418 1.00 0.06 C ATOM 1340 CG GLN A 86 9.360 4.445 2.451 1.00 0.06 C ATOM 1341 CD GLN A 86 8.919 5.865 2.269 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.543 6.527 1.330 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.037 6.362 2.970 1.00 0.08 N flip ATOM 0 H GLN A 86 10.235 2.157 2.383 1.00 0.04 H new ATOM 0 HA GLN A 86 12.067 4.181 2.001 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.144 3.755 4.299 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.811 5.282 3.755 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.662 4.039 1.486 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.514 3.850 2.796 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.581 5.801 3.690 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.762 7.334 2.831 1.00 0.08 H new ATOM 1352 N ASP A 87 12.313 2.458 4.779 1.00 0.05 N ATOM 1353 CA ASP A 87 13.180 2.126 5.903 1.00 0.06 C ATOM 1354 C ASP A 87 14.559 1.846 5.412 1.00 0.06 C ATOM 1355 O ASP A 87 15.517 2.506 5.773 1.00 0.08 O ATOM 1356 CB ASP A 87 12.718 0.861 6.621 1.00 0.08 C ATOM 1357 CG ASP A 87 12.924 0.937 8.123 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.925 1.083 8.861 1.00 0.40 O ATOM 1359 OD2 ASP A 87 14.085 0.855 8.575 1.00 0.39 O1- ATOM 0 H ASP A 87 11.417 1.970 4.786 1.00 0.05 H new ATOM 0 HA ASP A 87 13.150 2.977 6.583 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.662 0.693 6.410 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.262 0.003 6.226 1.00 0.08 H new ATOM 1364 N VAL A 88 14.639 0.878 4.549 1.00 0.04 N ATOM 1365 CA VAL A 88 15.915 0.398 4.118 1.00 0.04 C ATOM 1366 C VAL A 88 16.560 1.395 3.142 1.00 0.04 C ATOM 1367 O VAL A 88 17.738 1.681 3.264 1.00 0.05 O ATOM 1368 CB VAL A 88 15.805 -1.017 3.536 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.775 -1.830 4.303 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.462 -0.971 2.086 1.00 0.04 C ATOM 0 H VAL A 88 13.837 0.407 4.131 1.00 0.04 H new ATOM 0 HA VAL A 88 16.575 0.323 4.982 1.00 0.04 H new ATOM 0 HB VAL A 88 16.775 -1.503 3.639 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.710 -2.831 3.876 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.073 -1.900 5.349 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.802 -1.343 4.234 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.390 -1.987 1.697 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.507 -0.463 1.954 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.238 -0.430 1.545 1.00 0.04 H new ATOM 1380 N ASN A 89 15.765 1.975 2.227 1.00 0.05 N ATOM 1381 CA ASN A 89 16.211 3.044 1.334 1.00 0.06 C ATOM 1382 C ASN A 89 16.698 4.217 2.137 1.00 0.07 C ATOM 1383 O ASN A 89 17.577 4.970 1.722 1.00 0.09 O ATOM 1384 CB ASN A 89 15.033 3.504 0.486 1.00 0.06 C ATOM 1385 CG ASN A 89 14.709 2.553 -0.634 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.198 1.434 -0.665 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.836 2.976 -1.528 1.00 0.08 N ATOM 0 H ASN A 89 14.790 1.710 2.090 1.00 0.05 H new ATOM 0 HA ASN A 89 17.018 2.668 0.705 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.156 3.618 1.123 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.254 4.486 0.069 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.543 2.359 -2.286 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.454 3.920 -1.461 1.00 0.08 H new ATOM 1394 N ALA A 90 16.107 4.337 3.302 1.00 0.07 N ATOM 1395 CA ALA A 90 16.356 5.434 4.210 1.00 0.08 C ATOM 1396 C ALA A 90 17.682 5.233 4.890 1.00 0.09 C ATOM 1397 O ALA A 90 18.195 6.111 5.577 1.00 0.12 O ATOM 1398 CB ALA A 90 15.240 5.496 5.225 1.00 0.09 C ATOM 0 H ALA A 90 15.427 3.663 3.653 1.00 0.07 H new ATOM 0 HA ALA A 90 16.389 6.375 3.661 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.420 6.321 5.914 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.291 5.652 4.713 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.202 4.560 5.782 1.00 0.09 H new ATOM 1404 N GLN A 91 18.213 4.043 4.700 1.00 0.07 N ATOM 1405 CA GLN A 91 19.490 3.676 5.237 1.00 0.08 C ATOM 1406 C GLN A 91 20.561 4.001 4.235 1.00 0.08 C ATOM 1407 O GLN A 91 21.712 4.130 4.575 1.00 0.10 O ATOM 1408 CB GLN A 91 19.504 2.198 5.599 1.00 0.07 C ATOM 1409 CG GLN A 91 18.395 1.772 6.543 1.00 0.08 C ATOM 1410 CD GLN A 91 18.110 2.760 7.657 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.725 2.755 8.707 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.137 3.589 7.432 1.00 0.14 N ATOM 0 H GLN A 91 17.760 3.303 4.163 1.00 0.07 H new ATOM 0 HA GLN A 91 19.682 4.242 6.149 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.430 1.612 4.683 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.465 1.957 6.055 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.482 1.619 5.967 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.659 0.811 6.984 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.643 3.565 6.540 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.867 4.264 8.147 1.00 0.14 H new ATOM 1421 N PHE A 92 20.163 4.150 2.997 1.00 0.08 N ATOM 1422 CA PHE A 92 21.082 4.569 1.953 1.00 0.09 C ATOM 1423 C PHE A 92 20.987 6.041 1.705 1.00 0.11 C ATOM 1424 O PHE A 92 19.990 6.691 2.015 1.00 0.12 O ATOM 1425 CB PHE A 92 20.824 3.843 0.635 1.00 0.09 C ATOM 1426 CG PHE A 92 20.749 2.377 0.773 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.829 1.579 0.483 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.594 1.803 1.218 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.748 0.227 0.644 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.502 0.456 1.378 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.582 -0.336 1.094 1.00 0.06 C ATOM 0 H PHE A 92 19.207 3.988 2.680 1.00 0.08 H new ATOM 0 HA PHE A 92 22.080 4.315 2.311 1.00 0.09 H new ATOM 0 HB2 PHE A 92 19.891 4.207 0.206 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.618 4.093 -0.069 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.746 2.024 0.126 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.742 2.426 1.446 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.599 -0.398 0.418 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.581 0.013 1.728 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.515 -1.406 1.225 1.00 0.06 H new ATOM 1441 N GLU A 93 22.059 6.544 1.134 1.00 0.12 N ATOM 1442 CA GLU A 93 22.155 7.917 0.744 1.00 0.14 C ATOM 1443 C GLU A 93 21.135 8.196 -0.354 1.00 0.14 C ATOM 1444 O GLU A 93 20.691 9.328 -0.557 1.00 0.16 O ATOM 1445 CB GLU A 93 23.567 8.202 0.260 1.00 0.16 C ATOM 1446 CG GLU A 93 24.641 7.764 1.255 1.00 0.17 C ATOM 1447 CD GLU A 93 25.967 8.464 1.045 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.375 9.252 1.919 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.602 8.242 -0.009 1.00 0.37 O1- ATOM 0 H GLU A 93 22.895 5.997 0.929 1.00 0.12 H new ATOM 0 HA GLU A 93 21.942 8.569 1.591 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.729 7.691 -0.689 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.671 9.270 0.069 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.290 7.960 2.268 1.00 0.17 H new ATOM 0 HG3 GLU A 93 24.788 6.687 1.171 1.00 0.17 H new ATOM 1456 N LYS A 94 20.783 7.126 -1.060 1.00 0.13 N ATOM 1457 CA LYS A 94 19.738 7.146 -2.067 1.00 0.14 C ATOM 1458 C LYS A 94 19.032 5.807 -2.045 1.00 0.12 C ATOM 1459 O LYS A 94 19.665 4.775 -1.850 1.00 0.12 O ATOM 1460 CB LYS A 94 20.283 7.416 -3.473 1.00 0.21 C ATOM 1461 CG LYS A 94 21.777 7.690 -3.546 1.00 0.75 C ATOM 1462 CD LYS A 94 22.210 7.984 -4.972 1.00 1.25 C ATOM 1463 CE LYS A 94 23.713 8.184 -5.072 1.00 2.08 C ATOM 1464 NZ LYS A 94 24.145 8.418 -6.474 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.223 6.213 -0.945 1.00 0.13 H new ATOM 0 HA LYS A 94 19.052 7.959 -1.831 1.00 0.14 H new ATOM 0 HB2 LYS A 94 20.056 6.557 -4.105 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.752 8.270 -3.893 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.026 8.536 -2.905 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.327 6.829 -3.166 1.00 0.75 H new ATOM 0 HD2 LYS A 94 21.908 7.162 -5.621 1.00 1.25 H new ATOM 0 HD3 LYS A 94 21.699 8.878 -5.331 1.00 1.25 H new ATOM 0 HE2 LYS A 94 24.009 9.032 -4.454 1.00 2.08 H new ATOM 0 HE3 LYS A 94 24.224 7.307 -4.676 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 25.176 8.550 -6.502 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 23.885 7.598 -7.059 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 23.677 9.270 -6.844 1.00 2.94 H new ATOM 1478 N PRO A 95 17.714 5.826 -2.248 1.00 0.11 N ATOM 1479 CA PRO A 95 16.851 4.652 -2.131 1.00 0.09 C ATOM 1480 C PRO A 95 17.374 3.472 -2.870 1.00 0.08 C ATOM 1481 O PRO A 95 17.789 3.594 -4.024 1.00 0.10 O ATOM 1482 CB PRO A 95 15.547 5.114 -2.770 1.00 0.11 C ATOM 1483 CG PRO A 95 15.530 6.564 -2.512 1.00 0.13 C ATOM 1484 CD PRO A 95 16.958 7.007 -2.658 1.00 0.14 C ATOM 0 HA PRO A 95 16.761 4.326 -1.095 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.525 4.896 -3.838 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.685 4.617 -2.325 1.00 0.11 H new ATOM 0 HG2 PRO A 95 14.883 7.082 -3.219 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.150 6.782 -1.514 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.187 7.297 -3.683 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.180 7.867 -2.026 1.00 0.14 H new ATOM 1492 N ALA A 96 17.337 2.313 -2.240 1.00 0.06 N ATOM 1493 CA ALA A 96 17.723 1.173 -2.973 1.00 0.06 C ATOM 1494 C ALA A 96 16.705 0.076 -2.854 1.00 0.05 C ATOM 1495 O ALA A 96 17.014 -1.063 -2.544 1.00 0.05 O ATOM 1496 CB ALA A 96 19.022 0.696 -2.390 1.00 0.05 C ATOM 0 H ALA A 96 17.056 2.160 -1.272 1.00 0.06 H new ATOM 0 HA ALA A 96 17.816 1.429 -4.028 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.360 -0.189 -2.929 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.771 1.483 -2.479 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.879 0.448 -1.338 1.00 0.05 H new ATOM 1502 N ILE A 97 15.501 0.451 -3.158 1.00 0.06 N ATOM 1503 CA ILE A 97 14.481 -0.356 -3.737 1.00 0.07 C ATOM 1504 C ILE A 97 13.701 0.587 -4.547 1.00 0.08 C ATOM 1505 O ILE A 97 12.934 1.331 -3.976 1.00 0.10 O ATOM 1506 CB ILE A 97 13.570 -1.004 -2.720 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.260 -2.173 -2.100 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.232 -1.406 -3.323 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.755 -1.853 -0.734 1.00 0.05 C ATOM 0 H ILE A 97 15.185 1.407 -2.993 1.00 0.06 H new ATOM 0 HA ILE A 97 14.923 -1.182 -4.295 1.00 0.07 H new ATOM 0 HB ILE A 97 13.350 -0.270 -1.945 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.573 -3.018 -2.050 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.096 -2.479 -2.729 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.611 -1.867 -2.555 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.729 -0.522 -3.714 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.397 -2.117 -4.132 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.252 -2.727 -0.313 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.462 -1.025 -0.788 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.915 -1.572 -0.099 1.00 0.05 H new ATOM 1521 N VAL A 98 13.916 0.640 -5.803 1.00 0.09 N ATOM 1522 CA VAL A 98 13.217 1.606 -6.601 1.00 0.10 C ATOM 1523 C VAL A 98 12.669 0.947 -7.831 1.00 0.10 C ATOM 1524 O VAL A 98 13.407 0.361 -8.620 1.00 0.14 O ATOM 1525 CB VAL A 98 14.100 2.812 -6.938 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.353 3.609 -5.660 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.405 2.364 -7.567 1.00 0.11 C ATOM 0 H VAL A 98 14.563 0.037 -6.312 1.00 0.09 H new ATOM 0 HA VAL A 98 12.381 1.996 -6.021 1.00 0.10 H new ATOM 0 HB VAL A 98 13.591 3.446 -7.664 1.00 0.10 H new ATOM 0 HG11 VAL A 98 14.981 4.471 -5.887 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.403 3.950 -5.250 1.00 0.10 H new ATOM 0 HG13 VAL A 98 14.856 2.975 -4.930 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.016 3.237 -7.798 1.00 0.11 H new ATOM 0 HG22 VAL A 98 15.942 1.719 -6.871 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.197 1.814 -8.485 1.00 0.11 H new ATOM 1537 N ASP A 99 11.355 1.005 -7.943 1.00 0.09 N ATOM 1538 CA ASP A 99 10.631 0.267 -8.970 1.00 0.11 C ATOM 1539 C ASP A 99 10.682 -1.224 -8.648 1.00 0.09 C ATOM 1540 O ASP A 99 10.843 -2.070 -9.528 1.00 0.11 O ATOM 1541 CB ASP A 99 11.216 0.538 -10.355 1.00 0.14 C ATOM 1542 CG ASP A 99 10.346 0.041 -11.495 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.875 -0.610 -12.417 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.118 0.266 -11.449 1.00 0.52 O1- ATOM 0 H ASP A 99 10.759 1.561 -7.330 1.00 0.09 H new ATOM 0 HA ASP A 99 9.593 0.600 -8.980 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.372 1.611 -10.470 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.195 0.065 -10.425 1.00 0.14 H new ATOM 1549 N GLY A 100 10.558 -1.533 -7.360 1.00 0.07 N ATOM 1550 CA GLY A 100 10.577 -2.909 -6.905 1.00 0.08 C ATOM 1551 C GLY A 100 11.922 -3.564 -7.046 1.00 0.08 C ATOM 1552 O GLY A 100 12.064 -4.752 -6.775 1.00 0.10 O ATOM 0 H GLY A 100 10.443 -0.844 -6.617 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.272 -2.943 -5.859 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.841 -3.481 -7.470 1.00 0.08 H new ATOM 1556 N VAL A 101 12.901 -2.811 -7.490 1.00 0.08 N ATOM 1557 CA VAL A 101 14.221 -3.340 -7.653 1.00 0.09 C ATOM 1558 C VAL A 101 15.219 -2.456 -6.974 1.00 0.08 C ATOM 1559 O VAL A 101 15.188 -1.235 -7.064 1.00 0.09 O ATOM 1560 CB VAL A 101 14.583 -3.547 -9.131 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.516 -2.237 -9.907 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.957 -4.192 -9.254 1.00 0.15 C ATOM 0 H VAL A 101 12.801 -1.828 -7.744 1.00 0.08 H new ATOM 0 HA VAL A 101 14.244 -4.323 -7.183 1.00 0.09 H new ATOM 0 HB VAL A 101 13.848 -4.221 -9.571 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.778 -2.418 -10.950 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.505 -1.832 -9.851 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.217 -1.522 -9.476 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.200 -4.333 -10.307 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.704 -3.547 -8.792 1.00 0.15 H new ATOM 0 HG23 VAL A 101 15.951 -5.159 -8.751 1.00 0.15 H new ATOM 1572 N LEU A 102 16.092 -3.112 -6.291 1.00 0.07 N ATOM 1573 CA LEU A 102 17.094 -2.489 -5.502 1.00 0.07 C ATOM 1574 C LEU A 102 18.097 -1.748 -6.360 1.00 0.09 C ATOM 1575 O LEU A 102 18.389 -2.127 -7.496 1.00 0.11 O ATOM 1576 CB LEU A 102 17.787 -3.584 -4.727 1.00 0.07 C ATOM 1577 CG LEU A 102 19.276 -3.371 -4.481 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.481 -2.384 -3.356 1.00 0.06 C ATOM 1579 CD2 LEU A 102 19.983 -4.670 -4.176 1.00 0.07 C ATOM 0 H LEU A 102 16.128 -4.131 -6.266 1.00 0.07 H new ATOM 0 HA LEU A 102 16.641 -1.753 -4.837 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.289 -3.694 -3.764 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.656 -4.524 -5.263 1.00 0.07 H new ATOM 0 HG LEU A 102 19.710 -2.967 -5.396 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.548 -2.239 -3.189 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.023 -1.431 -3.620 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.020 -2.768 -2.446 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.042 -4.477 -4.007 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.549 -5.120 -3.283 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.869 -5.353 -5.018 1.00 0.07 H new ATOM 1591 N ASP A 103 18.628 -0.711 -5.772 1.00 0.09 N ATOM 1592 CA ASP A 103 19.660 0.089 -6.372 1.00 0.11 C ATOM 1593 C ASP A 103 20.959 -0.288 -5.723 1.00 0.11 C ATOM 1594 O ASP A 103 21.297 0.231 -4.683 1.00 0.10 O ATOM 1595 CB ASP A 103 19.431 1.559 -6.103 1.00 0.13 C ATOM 1596 CG ASP A 103 19.706 2.424 -7.314 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.736 2.865 -7.964 1.00 0.46 O ATOM 1598 OD2 ASP A 103 20.893 2.659 -7.628 1.00 0.48 O1- ATOM 0 H ASP A 103 18.350 -0.392 -4.844 1.00 0.09 H new ATOM 0 HA ASP A 103 19.664 -0.083 -7.448 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.401 1.709 -5.781 1.00 0.13 H new ATOM 0 HB3 ASP A 103 20.072 1.878 -5.281 1.00 0.13 H new ATOM 1603 N THR A 104 21.678 -1.172 -6.342 1.00 0.12 N ATOM 1604 CA THR A 104 22.922 -1.700 -5.791 1.00 0.14 C ATOM 1605 C THR A 104 23.972 -0.630 -5.823 1.00 0.16 C ATOM 1606 O THR A 104 25.038 -0.718 -5.206 1.00 0.19 O ATOM 1607 CB THR A 104 23.390 -2.900 -6.599 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.160 -2.476 -7.734 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.175 -3.644 -7.075 1.00 0.16 C ATOM 0 H THR A 104 21.430 -1.561 -7.252 1.00 0.12 H new ATOM 0 HA THR A 104 22.750 -2.016 -4.762 1.00 0.14 H new ATOM 0 HB THR A 104 24.018 -3.537 -5.976 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.454 -3.261 -8.241 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.485 -4.511 -7.658 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.591 -3.974 -6.216 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.566 -2.987 -7.697 1.00 0.16 H new ATOM 1617 N ASN A 105 23.613 0.390 -6.548 1.00 0.16 N ATOM 1618 CA ASN A 105 24.433 1.539 -6.757 1.00 0.20 C ATOM 1619 C ASN A 105 24.226 2.511 -5.617 1.00 0.19 C ATOM 1620 O ASN A 105 24.877 3.552 -5.519 1.00 0.26 O ATOM 1621 CB ASN A 105 24.036 2.161 -8.075 1.00 0.26 C ATOM 1622 CG ASN A 105 25.160 2.907 -8.759 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.212 2.996 -9.986 1.00 0.70 O ATOM 1624 ND2 ASN A 105 26.059 3.451 -7.973 1.00 0.90 N ATOM 0 H ASN A 105 22.712 0.442 -7.023 1.00 0.16 H new ATOM 0 HA ASN A 105 25.489 1.269 -6.787 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.673 1.378 -8.741 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.206 2.847 -7.907 1.00 0.26 H new ATOM 0 HD21 ASN A 105 26.839 3.972 -8.374 1.00 0.90 H new ATOM 0 HD22 ASN A 105 25.978 3.353 -6.961 1.00 0.90 H new ATOM 1631 N ALA A 106 23.312 2.131 -4.753 1.00 0.14 N ATOM 1632 CA ALA A 106 22.971 2.935 -3.583 1.00 0.13 C ATOM 1633 C ALA A 106 24.076 2.902 -2.565 1.00 0.14 C ATOM 1634 O ALA A 106 25.092 2.231 -2.730 1.00 0.20 O ATOM 1635 CB ALA A 106 21.672 2.473 -2.956 1.00 0.10 C ATOM 0 H ALA A 106 22.782 1.263 -4.833 1.00 0.14 H new ATOM 0 HA ALA A 106 22.841 3.963 -3.923 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.447 3.092 -2.088 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.865 2.561 -3.684 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.768 1.433 -2.645 1.00 0.10 H new ATOM 1641 N LYS A 107 23.854 3.628 -1.509 1.00 0.13 N ATOM 1642 CA LYS A 107 24.883 3.890 -0.547 1.00 0.14 C ATOM 1643 C LYS A 107 24.375 3.738 0.851 1.00 0.12 C ATOM 1644 O LYS A 107 23.814 4.671 1.397 1.00 0.12 O ATOM 1645 CB LYS A 107 25.375 5.303 -0.730 1.00 0.17 C ATOM 1646 CG LYS A 107 26.508 5.435 -1.703 1.00 0.25 C ATOM 1647 CD LYS A 107 27.698 4.636 -1.233 1.00 0.80 C ATOM 1648 CE LYS A 107 28.217 5.216 0.061 1.00 1.20 C ATOM 1649 NZ LYS A 107 28.751 6.593 -0.111 1.00 1.99 N1+ ATOM 0 H LYS A 107 22.954 4.055 -1.290 1.00 0.13 H new ATOM 0 HA LYS A 107 25.688 3.172 -0.703 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.546 5.924 -1.068 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.693 5.694 0.237 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.194 5.087 -2.687 1.00 0.25 H new ATOM 0 HG3 LYS A 107 26.785 6.484 -1.809 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.415 3.593 -1.088 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.482 4.651 -1.991 1.00 0.80 H new ATOM 0 HE2 LYS A 107 27.414 5.230 0.798 1.00 1.20 H new ATOM 0 HE3 LYS A 107 29.002 4.571 0.456 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.642 6.688 0.417 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 28.925 6.774 -1.120 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 28.060 7.281 0.250 1.00 1.99 H new ATOM 1663 N ALA A 108 24.587 2.588 1.441 1.00 0.11 N ATOM 1664 CA ALA A 108 24.101 2.355 2.782 1.00 0.10 C ATOM 1665 C ALA A 108 24.839 3.273 3.746 1.00 0.11 C ATOM 1666 O ALA A 108 25.987 3.012 4.110 1.00 0.13 O ATOM 1667 CB ALA A 108 24.258 0.892 3.158 1.00 0.10 C ATOM 0 H ALA A 108 25.087 1.805 1.021 1.00 0.11 H new ATOM 0 HA ALA A 108 23.037 2.584 2.836 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.887 0.735 4.171 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.689 0.275 2.463 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.311 0.615 3.110 1.00 0.10 H new ATOM 1673 N LYS A 109 24.168 4.371 4.092 1.00 0.11 N ATOM 1674 CA LYS A 109 24.693 5.413 4.960 1.00 0.13 C ATOM 1675 C LYS A 109 25.404 4.868 6.197 1.00 0.15 C ATOM 1676 O LYS A 109 25.189 3.729 6.610 1.00 0.14 O ATOM 1677 CB LYS A 109 23.543 6.305 5.414 1.00 0.14 C ATOM 1678 CG LYS A 109 23.181 7.351 4.389 1.00 0.15 C ATOM 1679 CD LYS A 109 22.076 8.272 4.868 1.00 0.17 C ATOM 1680 CE LYS A 109 20.734 7.575 4.836 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.634 8.454 5.308 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.220 4.561 3.766 1.00 0.11 H new ATOM 0 HA LYS A 109 25.431 5.967 4.380 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.669 5.687 5.622 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.816 6.796 6.348 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.065 7.942 4.150 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.867 6.860 3.468 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.291 8.606 5.883 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.042 9.162 4.240 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.522 7.245 3.819 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.776 6.682 5.459 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.798 7.876 5.528 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 19.938 8.962 6.163 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.395 9.140 4.564 1.00 0.26 H new ATOM 1695 N SER A 110 26.213 5.716 6.818 1.00 0.19 N ATOM 1696 CA SER A 110 26.845 5.390 8.094 1.00 0.22 C ATOM 1697 C SER A 110 25.814 5.357 9.210 1.00 0.23 C ATOM 1698 O SER A 110 26.126 5.096 10.372 1.00 0.26 O ATOM 1699 CB SER A 110 27.931 6.408 8.425 1.00 0.27 C ATOM 1700 OG SER A 110 28.969 6.382 7.459 1.00 0.29 O ATOM 0 H SER A 110 26.449 6.641 6.458 1.00 0.19 H new ATOM 0 HA SER A 110 27.298 4.403 8.005 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.496 7.407 8.469 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.343 6.196 9.412 1.00 0.27 H new ATOM 0 HG SER A 110 29.651 7.045 7.694 1.00 0.29 H new ATOM 1706 N ASP A 111 24.584 5.615 8.832 1.00 0.21 N ATOM 1707 CA ASP A 111 23.485 5.696 9.757 1.00 0.23 C ATOM 1708 C ASP A 111 22.520 4.564 9.464 1.00 0.19 C ATOM 1709 O ASP A 111 21.640 4.256 10.270 1.00 0.21 O ATOM 1710 CB ASP A 111 22.804 7.055 9.615 1.00 0.28 C ATOM 1711 CG ASP A 111 21.666 7.267 10.598 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.493 7.078 10.208 1.00 1.51 O ATOM 1713 OD2 ASP A 111 21.941 7.593 11.773 1.00 0.70 O1- ATOM 0 H ASP A 111 24.318 5.776 7.861 1.00 0.21 H new ATOM 0 HA ASP A 111 23.837 5.600 10.784 1.00 0.23 H new ATOM 0 HB2 ASP A 111 23.546 7.841 9.755 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.420 7.156 8.600 1.00 0.28 H new ATOM 1718 N ALA A 112 22.694 3.958 8.282 1.00 0.14 N ATOM 1719 CA ALA A 112 21.954 2.772 7.903 1.00 0.11 C ATOM 1720 C ALA A 112 21.951 1.747 9.011 1.00 0.12 C ATOM 1721 O ALA A 112 22.989 1.259 9.461 1.00 0.15 O ATOM 1722 CB ALA A 112 22.522 2.149 6.643 1.00 0.10 C ATOM 0 H ALA A 112 23.351 4.283 7.573 1.00 0.14 H new ATOM 0 HA ALA A 112 20.928 3.087 7.712 1.00 0.11 H new ATOM 0 HB1 ALA A 112 21.945 1.261 6.384 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.468 2.868 5.825 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.562 1.870 6.812 1.00 0.10 H new ATOM 1728 N LYS A 113 20.758 1.465 9.431 1.00 0.11 N ATOM 1729 CA LYS A 113 20.466 0.509 10.456 1.00 0.13 C ATOM 1730 C LYS A 113 19.257 -0.285 10.029 1.00 0.12 C ATOM 1731 O LYS A 113 18.121 0.181 10.121 1.00 0.13 O ATOM 1732 CB LYS A 113 20.184 1.240 11.744 1.00 0.15 C ATOM 1733 CG LYS A 113 20.847 0.607 12.949 1.00 0.24 C ATOM 1734 CD LYS A 113 20.513 1.351 14.232 1.00 0.34 C ATOM 1735 CE LYS A 113 20.998 2.791 14.191 1.00 1.46 C ATOM 1736 NZ LYS A 113 20.732 3.503 15.468 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.924 1.914 9.053 1.00 0.11 H new ATOM 0 HA LYS A 113 21.309 -0.164 10.612 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.524 2.271 11.651 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.107 1.273 11.906 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.527 -0.431 13.037 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.927 0.596 12.806 1.00 0.24 H new ATOM 0 HD2 LYS A 113 19.435 1.335 14.392 1.00 0.34 H new ATOM 0 HD3 LYS A 113 20.968 0.838 15.079 1.00 0.34 H new ATOM 0 HE2 LYS A 113 22.068 2.808 13.982 1.00 1.46 H new ATOM 0 HE3 LYS A 113 20.505 3.317 13.373 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 21.078 4.481 15.399 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 19.709 3.510 15.655 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 21.223 3.017 16.245 1.00 2.22 H new ATOM 1750 N PHE A 114 19.506 -1.473 9.546 1.00 0.11 N ATOM 1751 CA PHE A 114 18.488 -2.234 8.857 1.00 0.10 C ATOM 1752 C PHE A 114 17.662 -3.114 9.763 1.00 0.12 C ATOM 1753 O PHE A 114 18.074 -3.505 10.854 1.00 0.15 O ATOM 1754 CB PHE A 114 19.122 -3.075 7.776 1.00 0.08 C ATOM 1755 CG PHE A 114 19.608 -2.252 6.645 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.873 -1.706 6.667 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.792 -2.023 5.558 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.316 -0.941 5.621 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.227 -1.262 4.511 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.492 -0.719 4.539 1.00 0.06 C ATOM 0 H PHE A 114 20.410 -1.941 9.616 1.00 0.11 H new ATOM 0 HA PHE A 114 17.802 -1.504 8.428 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.954 -3.639 8.197 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.397 -3.802 7.410 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.519 -1.882 7.514 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.800 -2.449 5.534 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.307 -0.513 5.644 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.581 -1.087 3.664 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.839 -0.118 3.711 1.00 0.06 H new ATOM 1770 N THR A 115 16.482 -3.403 9.264 1.00 0.12 N ATOM 1771 CA THR A 115 15.570 -4.341 9.856 1.00 0.13 C ATOM 1772 C THR A 115 15.145 -5.313 8.785 1.00 0.13 C ATOM 1773 O THR A 115 14.909 -4.918 7.641 1.00 0.13 O ATOM 1774 CB THR A 115 14.344 -3.632 10.461 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.019 -2.470 9.689 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.607 -3.232 11.901 1.00 0.20 C ATOM 0 H THR A 115 16.124 -2.976 8.409 1.00 0.12 H new ATOM 0 HA THR A 115 16.066 -4.866 10.673 1.00 0.13 H new ATOM 0 HB THR A 115 13.504 -4.327 10.442 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.237 -2.026 10.079 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.727 -2.733 12.307 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.824 -4.122 12.492 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.459 -2.553 11.940 1.00 0.20 H new ATOM 1784 N ASP A 116 15.122 -6.582 9.137 1.00 0.16 N ATOM 1785 CA ASP A 116 14.658 -7.622 8.240 1.00 0.18 C ATOM 1786 C ASP A 116 13.168 -7.509 8.086 1.00 0.17 C ATOM 1787 O ASP A 116 12.395 -8.349 8.549 1.00 0.23 O ATOM 1788 CB ASP A 116 15.041 -8.989 8.780 1.00 0.24 C ATOM 1789 CG ASP A 116 16.453 -9.381 8.416 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.389 -8.987 9.144 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.636 -10.084 7.400 1.00 0.88 O1- ATOM 0 H ASP A 116 15.423 -6.922 10.050 1.00 0.16 H new ATOM 0 HA ASP A 116 15.128 -7.502 7.264 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.936 -8.990 9.865 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.349 -9.736 8.392 1.00 0.24 H new ATOM 1796 N ILE A 117 12.792 -6.437 7.440 1.00 0.14 N ATOM 1797 CA ILE A 117 11.421 -6.048 7.330 1.00 0.13 C ATOM 1798 C ILE A 117 10.634 -7.005 6.499 1.00 0.15 C ATOM 1799 O ILE A 117 10.958 -7.275 5.342 1.00 0.18 O ATOM 1800 CB ILE A 117 11.281 -4.640 6.759 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.871 -3.668 7.759 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.819 -4.312 6.460 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.563 -2.223 7.457 1.00 0.12 C ATOM 0 H ILE A 117 13.441 -5.805 6.971 1.00 0.14 H new ATOM 0 HA ILE A 117 11.018 -6.059 8.343 1.00 0.13 H new ATOM 0 HB ILE A 117 11.817 -4.565 5.813 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.494 -3.910 8.753 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.952 -3.801 7.787 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.748 -3.303 6.054 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.428 -5.024 5.733 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.237 -4.375 7.379 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.019 -1.587 8.216 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.964 -1.963 6.477 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.483 -2.073 7.459 1.00 0.12 H new ATOM 1815 N LYS A 118 9.627 -7.550 7.115 1.00 0.14 N ATOM 1816 CA LYS A 118 8.649 -8.289 6.390 1.00 0.16 C ATOM 1817 C LYS A 118 7.403 -7.488 6.242 1.00 0.14 C ATOM 1818 O LYS A 118 6.726 -7.143 7.210 1.00 0.22 O ATOM 1819 CB LYS A 118 8.364 -9.613 7.043 1.00 0.23 C ATOM 1820 CG LYS A 118 9.605 -10.431 7.076 1.00 0.30 C ATOM 1821 CD LYS A 118 9.974 -10.961 5.702 1.00 0.38 C ATOM 1822 CE LYS A 118 9.272 -12.269 5.366 1.00 1.10 C ATOM 1823 NZ LYS A 118 7.897 -12.047 4.852 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.465 -7.494 8.121 1.00 0.14 H new ATOM 0 HA LYS A 118 9.049 -8.496 5.397 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.992 -9.458 8.056 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.584 -10.140 6.494 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.426 -9.828 7.465 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.470 -11.267 7.763 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.721 -10.214 4.950 1.00 0.38 H new ATOM 0 HD3 LYS A 118 11.053 -11.110 5.653 1.00 0.38 H new ATOM 0 HE2 LYS A 118 9.854 -12.812 4.621 1.00 1.10 H new ATOM 0 HE3 LYS A 118 9.229 -12.896 6.256 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 7.684 -12.751 4.116 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 7.215 -12.143 5.631 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 7.828 -11.091 4.448 1.00 1.87 H new ATOM 1837 N THR A 119 7.146 -7.167 5.019 1.00 0.10 N ATOM 1838 CA THR A 119 5.947 -6.490 4.639 1.00 0.09 C ATOM 1839 C THR A 119 4.886 -7.512 4.391 1.00 0.12 C ATOM 1840 O THR A 119 3.692 -7.213 4.353 1.00 0.16 O ATOM 1841 CB THR A 119 6.193 -5.726 3.354 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.492 -6.640 2.296 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.351 -4.806 3.541 1.00 0.06 C ATOM 0 H THR A 119 7.772 -7.370 4.240 1.00 0.10 H new ATOM 0 HA THR A 119 5.640 -5.802 5.427 1.00 0.09 H new ATOM 0 HB THR A 119 5.300 -5.155 3.101 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.454 -6.828 2.288 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.531 -4.255 2.618 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.132 -4.104 4.346 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.238 -5.385 3.796 1.00 0.06 H new ATOM 1851 N GLY A 120 5.349 -8.737 4.218 1.00 0.13 N ATOM 1852 CA GLY A 120 4.474 -9.765 3.763 1.00 0.14 C ATOM 1853 C GLY A 120 4.530 -9.903 2.256 1.00 0.13 C ATOM 1854 O GLY A 120 4.058 -10.894 1.693 1.00 0.18 O ATOM 0 H GLY A 120 6.312 -9.027 4.386 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.748 -10.712 4.228 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.453 -9.541 4.073 1.00 0.14 H new ATOM 1858 N ASN A 121 5.107 -8.901 1.599 1.00 0.10 N ATOM 1859 CA ASN A 121 5.287 -8.936 0.161 1.00 0.10 C ATOM 1860 C ASN A 121 6.640 -9.528 -0.160 1.00 0.16 C ATOM 1861 O ASN A 121 7.600 -8.801 -0.328 1.00 0.30 O ATOM 1862 CB ASN A 121 5.192 -7.525 -0.424 1.00 0.11 C ATOM 1863 CG ASN A 121 5.178 -7.510 -1.933 1.00 0.16 C ATOM 1864 OD1 ASN A 121 4.868 -8.509 -2.581 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.472 -6.356 -2.500 1.00 0.13 N ATOM 0 H ASN A 121 5.457 -8.054 2.047 1.00 0.10 H new ATOM 0 HA ASN A 121 4.501 -9.550 -0.279 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.287 -7.045 -0.053 1.00 0.11 H new ATOM 0 HB3 ASN A 121 6.035 -6.933 -0.068 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.448 -6.266 -3.516 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.724 -5.554 -1.923 1.00 0.13 H new ATOM 1872 N THR A 122 6.706 -10.848 -0.199 1.00 0.15 N ATOM 1873 CA THR A 122 7.965 -11.576 -0.276 1.00 0.16 C ATOM 1874 C THR A 122 8.947 -10.988 -1.258 1.00 0.12 C ATOM 1875 O THR A 122 10.046 -10.640 -0.872 1.00 0.11 O ATOM 1876 CB THR A 122 7.716 -13.016 -0.665 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.750 -13.605 0.215 1.00 0.26 O ATOM 1878 CG2 THR A 122 9.007 -13.804 -0.631 1.00 0.19 C ATOM 0 H THR A 122 5.883 -11.450 -0.178 1.00 0.15 H new ATOM 0 HA THR A 122 8.405 -11.503 0.719 1.00 0.16 H new ATOM 0 HB THR A 122 7.324 -13.039 -1.682 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.595 -14.537 -0.046 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.810 -14.838 -0.914 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.719 -13.366 -1.331 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.424 -13.776 0.376 1.00 0.19 H new ATOM 1886 N GLU A 123 8.559 -10.894 -2.514 1.00 0.14 N ATOM 1887 CA GLU A 123 9.426 -10.378 -3.551 1.00 0.14 C ATOM 1888 C GLU A 123 9.950 -9.014 -3.176 1.00 0.11 C ATOM 1889 O GLU A 123 11.085 -8.681 -3.474 1.00 0.15 O ATOM 1890 CB GLU A 123 8.660 -10.286 -4.849 1.00 0.21 C ATOM 1891 CG GLU A 123 7.823 -11.515 -5.133 1.00 0.30 C ATOM 1892 CD GLU A 123 8.034 -12.056 -6.531 1.00 1.16 C ATOM 1893 OE1 GLU A 123 8.536 -13.187 -6.668 1.00 1.66 O ATOM 1894 OE2 GLU A 123 7.700 -11.348 -7.503 1.00 1.46 O1- ATOM 0 H GLU A 123 7.635 -11.173 -2.843 1.00 0.14 H new ATOM 0 HA GLU A 123 10.272 -11.056 -3.669 1.00 0.14 H new ATOM 0 HB2 GLU A 123 8.011 -9.411 -4.820 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.362 -10.135 -5.669 1.00 0.21 H new ATOM 0 HG2 GLU A 123 8.066 -12.291 -4.407 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.769 -11.271 -4.998 1.00 0.30 H new ATOM 1901 N LEU A 124 9.123 -8.253 -2.491 1.00 0.09 N ATOM 1902 CA LEU A 124 9.529 -6.973 -1.976 1.00 0.07 C ATOM 1903 C LEU A 124 10.467 -7.185 -0.825 1.00 0.08 C ATOM 1904 O LEU A 124 11.498 -6.555 -0.743 1.00 0.08 O ATOM 1905 CB LEU A 124 8.343 -6.206 -1.462 1.00 0.07 C ATOM 1906 CG LEU A 124 8.716 -5.093 -0.517 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.442 -4.019 -1.266 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.502 -4.560 0.171 1.00 0.05 C ATOM 0 H LEU A 124 8.158 -8.506 -2.279 1.00 0.09 H new ATOM 0 HA LEU A 124 10.007 -6.415 -2.781 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.796 -5.788 -2.307 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.667 -6.894 -0.954 1.00 0.07 H new ATOM 0 HG LEU A 124 9.381 -5.481 0.254 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.711 -3.215 -0.580 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.346 -4.434 -1.711 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.798 -3.625 -2.052 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.791 -3.757 0.849 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.803 -4.174 -0.571 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.025 -5.359 0.738 1.00 0.05 H new ATOM 1920 N ASP A 125 10.081 -8.091 0.053 1.00 0.09 N ATOM 1921 CA ASP A 125 10.851 -8.427 1.225 1.00 0.12 C ATOM 1922 C ASP A 125 12.244 -8.840 0.800 1.00 0.12 C ATOM 1923 O ASP A 125 13.228 -8.592 1.494 1.00 0.19 O ATOM 1924 CB ASP A 125 10.157 -9.561 1.981 1.00 0.21 C ATOM 1925 CG ASP A 125 8.935 -9.107 2.769 1.00 0.97 C ATOM 1926 OD1 ASP A 125 8.164 -9.976 3.234 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.729 -7.886 2.924 1.00 1.21 O1- ATOM 0 H ASP A 125 9.212 -8.618 -0.033 1.00 0.09 H new ATOM 0 HA ASP A 125 10.926 -7.564 1.887 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.856 -10.330 1.270 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.870 -10.021 2.665 1.00 0.21 H new ATOM 1932 N LYS A 126 12.301 -9.459 -0.365 1.00 0.10 N ATOM 1933 CA LYS A 126 13.543 -9.854 -0.972 1.00 0.10 C ATOM 1934 C LYS A 126 14.291 -8.681 -1.562 1.00 0.11 C ATOM 1935 O LYS A 126 15.512 -8.707 -1.640 1.00 0.17 O ATOM 1936 CB LYS A 126 13.255 -10.897 -2.044 1.00 0.11 C ATOM 1937 CG LYS A 126 12.388 -12.035 -1.546 1.00 0.13 C ATOM 1938 CD LYS A 126 12.376 -13.216 -2.508 1.00 0.18 C ATOM 1939 CE LYS A 126 13.765 -13.805 -2.726 1.00 0.62 C ATOM 1940 NZ LYS A 126 14.338 -14.351 -1.470 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.476 -9.700 -0.915 1.00 0.10 H new ATOM 0 HA LYS A 126 14.185 -10.275 -0.199 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.762 -10.415 -2.889 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.198 -11.301 -2.413 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.750 -12.366 -0.573 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.369 -11.676 -1.402 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.713 -13.990 -2.120 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.966 -12.896 -3.466 1.00 0.18 H new ATOM 0 HE2 LYS A 126 13.711 -14.596 -3.474 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.427 -13.036 -3.123 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 15.219 -14.861 -1.683 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 14.540 -13.571 -0.813 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.657 -15.004 -1.033 1.00 1.29 H new ATOM 1954 N VAL A 127 13.585 -7.645 -1.946 1.00 0.08 N ATOM 1955 CA VAL A 127 14.235 -6.501 -2.524 1.00 0.07 C ATOM 1956 C VAL A 127 14.599 -5.538 -1.415 1.00 0.06 C ATOM 1957 O VAL A 127 15.584 -4.809 -1.493 1.00 0.06 O ATOM 1958 CB VAL A 127 13.355 -5.793 -3.552 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.128 -4.670 -4.206 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.862 -6.768 -4.604 1.00 0.09 C ATOM 0 H VAL A 127 12.570 -7.573 -1.869 1.00 0.08 H new ATOM 0 HA VAL A 127 15.127 -6.845 -3.047 1.00 0.07 H new ATOM 0 HB VAL A 127 12.488 -5.379 -3.037 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.494 -4.170 -4.938 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.441 -3.953 -3.447 1.00 0.07 H new ATOM 0 HG13 VAL A 127 15.007 -5.076 -4.705 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.237 -6.240 -5.325 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.715 -7.210 -5.118 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.279 -7.555 -4.126 1.00 0.09 H new ATOM 1970 N LEU A 128 13.794 -5.578 -0.368 1.00 0.06 N ATOM 1971 CA LEU A 128 14.075 -4.862 0.854 1.00 0.05 C ATOM 1972 C LEU A 128 15.436 -5.305 1.302 1.00 0.06 C ATOM 1973 O LEU A 128 16.343 -4.526 1.578 1.00 0.06 O ATOM 1974 CB LEU A 128 13.088 -5.274 1.929 1.00 0.06 C ATOM 1975 CG LEU A 128 11.642 -4.968 1.631 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.782 -5.274 2.843 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.488 -3.521 1.210 1.00 0.06 C ATOM 0 H LEU A 128 12.925 -6.111 -0.346 1.00 0.06 H new ATOM 0 HA LEU A 128 14.012 -3.786 0.691 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.187 -6.346 2.098 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.362 -4.778 2.860 1.00 0.06 H new ATOM 0 HG LEU A 128 11.309 -5.599 0.807 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.740 -5.049 2.616 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.878 -6.329 3.100 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.110 -4.664 3.685 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.439 -3.313 0.998 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.831 -2.870 2.014 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.082 -3.337 0.315 1.00 0.06 H new ATOM 1989 N ASP A 129 15.524 -6.619 1.302 1.00 0.06 N ATOM 1990 CA ASP A 129 16.709 -7.369 1.680 1.00 0.07 C ATOM 1991 C ASP A 129 17.891 -6.996 0.838 1.00 0.07 C ATOM 1992 O ASP A 129 18.999 -6.802 1.322 1.00 0.07 O ATOM 1993 CB ASP A 129 16.428 -8.812 1.384 1.00 0.10 C ATOM 1994 CG ASP A 129 16.963 -9.759 2.444 1.00 0.17 C ATOM 1995 OD1 ASP A 129 18.023 -10.377 2.221 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.322 -9.891 3.509 1.00 0.35 O1- ATOM 0 H ASP A 129 14.745 -7.218 1.029 1.00 0.06 H new ATOM 0 HA ASP A 129 16.929 -7.167 2.728 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.351 -8.953 1.291 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.868 -9.070 0.421 1.00 0.10 H new ATOM 2001 N LYS A 130 17.612 -6.975 -0.438 1.00 0.07 N ATOM 2002 CA LYS A 130 18.543 -6.625 -1.474 1.00 0.07 C ATOM 2003 C LYS A 130 19.301 -5.395 -1.091 1.00 0.06 C ATOM 2004 O LYS A 130 20.521 -5.330 -1.194 1.00 0.07 O ATOM 2005 CB LYS A 130 17.693 -6.391 -2.694 1.00 0.08 C ATOM 2006 CG LYS A 130 17.816 -7.404 -3.811 1.00 0.12 C ATOM 2007 CD LYS A 130 17.916 -8.800 -3.300 1.00 0.15 C ATOM 2008 CE LYS A 130 19.352 -9.316 -3.252 1.00 1.00 C ATOM 2009 NZ LYS A 130 20.062 -9.121 -4.545 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.688 -7.212 -0.798 1.00 0.07 H new ATOM 0 HA LYS A 130 19.288 -7.401 -1.650 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.650 -6.355 -2.380 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.939 -5.408 -3.097 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.952 -7.322 -4.470 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.697 -7.175 -4.411 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.485 -8.847 -2.300 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.321 -9.457 -3.934 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.895 -8.801 -2.460 1.00 1.00 H new ATOM 0 HE3 LYS A 130 19.347 -10.376 -2.998 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.772 -9.871 -4.668 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.377 -9.161 -5.327 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 20.534 -8.194 -4.545 1.00 1.66 H new ATOM 2023 N ALA A 131 18.560 -4.462 -0.581 1.00 0.06 N ATOM 2024 CA ALA A 131 19.117 -3.202 -0.160 1.00 0.05 C ATOM 2025 C ALA A 131 19.982 -3.411 1.049 1.00 0.05 C ATOM 2026 O ALA A 131 21.134 -3.018 1.082 1.00 0.05 O ATOM 2027 CB ALA A 131 18.021 -2.239 0.173 1.00 0.04 C ATOM 0 H ALA A 131 17.553 -4.546 -0.442 1.00 0.06 H new ATOM 0 HA ALA A 131 19.717 -2.793 -0.973 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.454 -1.290 0.490 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.398 -2.078 -0.707 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.411 -2.647 0.979 1.00 0.04 H new ATOM 2033 N ILE A 132 19.408 -4.038 2.044 1.00 0.05 N ATOM 2034 CA ILE A 132 20.126 -4.395 3.245 1.00 0.06 C ATOM 2035 C ILE A 132 21.399 -5.137 2.931 1.00 0.08 C ATOM 2036 O ILE A 132 22.351 -5.137 3.710 1.00 0.09 O ATOM 2037 CB ILE A 132 19.264 -5.293 4.110 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.839 -4.767 4.042 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.788 -5.346 5.537 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.926 -5.199 5.161 1.00 0.07 C ATOM 0 H ILE A 132 18.427 -4.317 2.046 1.00 0.05 H new ATOM 0 HA ILE A 132 20.370 -3.468 3.764 1.00 0.06 H new ATOM 0 HB ILE A 132 19.291 -6.319 3.743 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.874 -3.678 4.027 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.399 -5.085 3.097 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.150 -5.997 6.135 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.806 -5.736 5.537 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.784 -4.343 5.964 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.937 -4.766 5.011 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.849 -6.286 5.168 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.331 -4.857 6.114 1.00 0.07 H new ATOM 2052 N SER A 133 21.416 -5.768 1.782 1.00 0.08 N ATOM 2053 CA SER A 133 22.539 -6.533 1.381 1.00 0.10 C ATOM 2054 C SER A 133 23.624 -5.622 0.802 1.00 0.08 C ATOM 2055 O SER A 133 24.779 -6.018 0.637 1.00 0.11 O ATOM 2056 CB SER A 133 22.072 -7.573 0.410 1.00 0.13 C ATOM 2057 OG SER A 133 21.330 -8.586 1.070 1.00 1.33 O ATOM 0 H SER A 133 20.648 -5.757 1.111 1.00 0.08 H new ATOM 0 HA SER A 133 22.993 -7.038 2.234 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.455 -7.107 -0.359 1.00 0.13 H new ATOM 0 HB3 SER A 133 22.930 -8.016 -0.095 1.00 0.13 H new ATOM 0 HG SER A 133 20.439 -8.246 1.294 1.00 1.33 H new ATOM 2063 N LEU A 134 23.224 -4.391 0.507 1.00 0.08 N ATOM 2064 CA LEU A 134 24.140 -3.303 0.205 1.00 0.08 C ATOM 2065 C LEU A 134 24.671 -2.740 1.515 1.00 0.08 C ATOM 2066 O LEU A 134 25.788 -2.223 1.583 1.00 0.10 O ATOM 2067 CB LEU A 134 23.426 -2.189 -0.554 1.00 0.07 C ATOM 2068 CG LEU A 134 23.222 -2.336 -2.056 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.611 -3.662 -2.437 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.353 -1.190 -2.513 1.00 0.08 C ATOM 0 H LEU A 134 22.242 -4.119 0.471 1.00 0.08 H new ATOM 0 HA LEU A 134 24.952 -3.685 -0.414 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.444 -2.057 -0.099 1.00 0.07 H new ATOM 0 HB3 LEU A 134 23.982 -1.267 -0.386 1.00 0.07 H new ATOM 0 HG LEU A 134 24.193 -2.310 -2.550 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.490 -3.709 -3.519 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.264 -4.471 -2.110 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.637 -3.765 -1.958 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.187 -1.265 -3.588 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.395 -1.230 -1.994 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.848 -0.246 -2.288 1.00 0.08 H new ATOM 2082 N GLY A 135 23.839 -2.837 2.553 1.00 0.09 N ATOM 2083 CA GLY A 135 24.214 -2.357 3.867 1.00 0.12 C ATOM 2084 C GLY A 135 25.006 -3.379 4.653 1.00 0.27 C ATOM 2085 O GLY A 135 25.758 -4.162 4.034 1.00 1.05 O ATOM 2086 OXT GLY A 135 24.880 -3.412 5.891 1.00 1.19 O ATOM 0 H GLY A 135 22.905 -3.244 2.501 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.804 -1.447 3.763 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.315 -2.092 4.424 1.00 0.12 H new TER 2090 GLY A 135