USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 976 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 116 LYS NZ :NH3+ 144:sc= 1.09 (180deg=0) USER MOD Set 1.2: A 124 SER OG : rot -59:sc= 0.941 USER MOD Set 2.1: A 89 THR OG1 : rot -86:sc= 0.469 USER MOD Set 2.2: A 92 GLN : amide:sc= 1.54 K(o=4.3,f=-7.8!) USER MOD Set 2.3: A 95 LYS NZ :NH3+ -175:sc= 2.33 (180deg=1.03) USER MOD Set 3.1: A 7 GLN : amide:sc= -0.306 K(o=1.9,f=-13!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 163:sc= 0.915 (180deg=-1.15) USER MOD Set 3.3: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 112 GLN : amide:sc= 1.25 K(o=1.9,f=-14!) USER MOD Set 4.1: A 44 ASN : amide:sc= -0.487 K(o=-0.27,f=-2.1!) USER MOD Set 4.2: A 47 SER OG : rot 100:sc= 0.0728 USER MOD Set 4.3: A 56 TYR OH : rot -15:sc= 0.146 USER MOD Set 5.1: A 10 THR OG1 : rot -37:sc= 0.917 USER MOD Set 5.2: A 115 GLN : amide:sc= 1.05 X(o=2,f=1.7) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.153 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot -130:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.913 F(o=-3.7!,f=-0.91) USER MOD Single : A 19 HIS :FLIP no HD1:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.68! C(o=-1.7!,f=-1.5!) USER MOD Single : A 26 ASN : amide:sc= 1.02 K(o=1,f=-0.33) USER MOD Single : A 32 SER OG : rot 160:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.79 F(o=-4.8!,f=-2.8) USER MOD Single : A 42 SER OG : rot 90:sc= 1.22 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.33 F(o=-2.4!,f=-1.3) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0876) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 61 SER OG : rot 120:sc= -1.15 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0105 F(o=-0.76,f=-0.01) USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= 1.84 (180deg=1.49) USER MOD Single : A 78 MET CE :methyl -132:sc=-0.00855 (180deg=-1.96!) USER MOD Single : A 79 GLN :FLIP amide:sc= -2.22! C(o=-3.2!,f=-2.2!) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.311 F(o=-1.5,f=-0.31) USER MOD Single : A 85 MET CE :methyl -148:sc= -2.09 (180deg=-4.22!) USER MOD Single : A 86 THR OG1 : rot 65:sc= 1.19 USER MOD Single : A 87 MET CE :methyl 163:sc= -0.08 (180deg=-0.523) USER MOD Single : A 90 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-3.8!) USER MOD Single : A 98 THR OG1 : rot -44:sc= 0.594 USER MOD Single : A 99 LYS NZ :NH3+ -149:sc= 1.3 (180deg=1.1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 1.13 K(o=1.1,f=-0.75) USER MOD Single : A 120 GLN :FLIP amide:sc=-0.000553 F(o=-0.85,f=-0.00055) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -164:sc= -0.0625 (180deg=-0.417) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.043 -13.385 -21.843 1.00 0.00 N ATOM 2 CA GLY A 1 1.977 -14.791 -21.485 1.00 0.00 C ATOM 3 C GLY A 1 0.968 -14.997 -20.417 1.00 0.00 C ATOM 4 O GLY A 1 0.174 -14.099 -20.153 1.00 0.00 O ATOM 0 H1 GLY A 1 1.725 -13.262 -22.825 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.428 -12.836 -21.209 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.023 -13.049 -21.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.718 -15.386 -22.361 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.954 -15.134 -21.144 1.00 0.00 H new ATOM 10 N SER A 2 0.986 -16.151 -19.798 1.00 0.00 N ATOM 11 CA SER A 2 0.057 -16.455 -18.749 1.00 0.00 C ATOM 12 C SER A 2 0.474 -15.726 -17.481 1.00 0.00 C ATOM 13 O SER A 2 1.551 -15.983 -16.937 1.00 0.00 O ATOM 14 CB SER A 2 0.034 -17.960 -18.517 1.00 0.00 C ATOM 15 OG SER A 2 -0.196 -18.651 -19.743 1.00 0.00 O ATOM 0 H SER A 2 1.644 -16.901 -20.009 1.00 0.00 H new ATOM 0 HA SER A 2 -0.944 -16.127 -19.030 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.981 -18.282 -18.084 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.747 -18.211 -17.799 1.00 0.00 H new ATOM 0 HG SER A 2 -0.206 -19.617 -19.577 1.00 0.00 H new ATOM 21 N TYR A 3 -0.351 -14.790 -17.058 1.00 0.00 N ATOM 22 CA TYR A 3 -0.100 -14.010 -15.867 1.00 0.00 C ATOM 23 C TYR A 3 0.045 -14.906 -14.632 1.00 0.00 C ATOM 24 O TYR A 3 1.079 -14.879 -13.983 1.00 0.00 O ATOM 25 CB TYR A 3 -1.199 -12.945 -15.679 1.00 0.00 C ATOM 26 CG TYR A 3 -1.109 -12.184 -14.375 1.00 0.00 C ATOM 27 CD1 TYR A 3 -0.145 -11.204 -14.169 1.00 0.00 C ATOM 28 CD2 TYR A 3 -1.994 -12.456 -13.344 1.00 0.00 C ATOM 29 CE1 TYR A 3 -0.066 -10.529 -12.964 1.00 0.00 C ATOM 30 CE2 TYR A 3 -1.923 -11.785 -12.152 1.00 0.00 C ATOM 31 CZ TYR A 3 -0.966 -10.828 -11.961 1.00 0.00 C ATOM 32 OH TYR A 3 -0.886 -10.190 -10.751 1.00 0.00 O ATOM 0 H TYR A 3 -1.220 -14.549 -17.535 1.00 0.00 H new ATOM 0 HA TYR A 3 0.850 -13.490 -15.992 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -1.147 -12.236 -16.505 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.173 -13.430 -15.737 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.551 -10.966 -14.960 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.754 -13.211 -13.483 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.692 -9.776 -12.810 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.624 -12.012 -11.362 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.902 -10.853 -10.030 1.00 0.00 H new ATOM 42 N ILE A 4 -0.989 -15.714 -14.351 1.00 0.00 N ATOM 43 CA ILE A 4 -1.018 -16.642 -13.193 1.00 0.00 C ATOM 44 C ILE A 4 -0.731 -15.886 -11.869 1.00 0.00 C ATOM 45 O ILE A 4 0.435 -15.711 -11.471 1.00 0.00 O ATOM 46 CB ILE A 4 -0.026 -17.847 -13.358 1.00 0.00 C ATOM 47 CG1 ILE A 4 -0.294 -18.610 -14.679 1.00 0.00 C ATOM 48 CG2 ILE A 4 -0.121 -18.807 -12.167 1.00 0.00 C ATOM 49 CD1 ILE A 4 -1.688 -19.210 -14.802 1.00 0.00 C ATOM 0 H ILE A 4 -1.836 -15.748 -14.919 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.025 -17.057 -13.155 1.00 0.00 H new ATOM 0 HB ILE A 4 0.984 -17.438 -13.392 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.133 -17.928 -15.514 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.440 -19.410 -14.774 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.577 -19.632 -12.308 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.128 -18.274 -11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.136 -19.199 -12.095 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.780 -19.723 -15.759 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.851 -19.921 -13.992 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.432 -18.416 -14.743 1.00 0.00 H new ATOM 61 N PRO A 5 -1.780 -15.423 -11.185 1.00 0.00 N ATOM 62 CA PRO A 5 -1.630 -14.595 -10.000 1.00 0.00 C ATOM 63 C PRO A 5 -1.023 -15.325 -8.831 1.00 0.00 C ATOM 64 O PRO A 5 -1.192 -16.540 -8.662 1.00 0.00 O ATOM 65 CB PRO A 5 -3.046 -14.194 -9.632 1.00 0.00 C ATOM 66 CG PRO A 5 -3.917 -15.215 -10.267 1.00 0.00 C ATOM 67 CD PRO A 5 -3.192 -15.698 -11.487 1.00 0.00 C ATOM 0 HA PRO A 5 -0.961 -13.761 -10.215 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.182 -14.178 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.280 -13.194 -9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.112 -16.039 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.883 -14.788 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.365 -16.760 -11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.520 -15.171 -12.383 1.00 0.00 H new ATOM 75 N GLY A 6 -0.350 -14.579 -8.020 1.00 0.00 N ATOM 76 CA GLY A 6 0.213 -15.085 -6.811 1.00 0.00 C ATOM 77 C GLY A 6 -0.720 -14.819 -5.663 1.00 0.00 C ATOM 78 O GLY A 6 -0.305 -14.491 -4.556 1.00 0.00 O ATOM 0 H GLY A 6 -0.173 -13.587 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.394 -16.156 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.178 -14.614 -6.624 1.00 0.00 H new ATOM 82 N GLN A 7 -1.982 -14.927 -5.943 1.00 0.00 N ATOM 83 CA GLN A 7 -3.018 -14.664 -5.019 1.00 0.00 C ATOM 84 C GLN A 7 -4.042 -15.768 -5.251 1.00 0.00 C ATOM 85 O GLN A 7 -4.157 -16.243 -6.390 1.00 0.00 O ATOM 86 CB GLN A 7 -3.540 -13.277 -5.366 1.00 0.00 C ATOM 87 CG GLN A 7 -4.205 -12.515 -4.238 1.00 0.00 C ATOM 88 CD GLN A 7 -3.337 -12.400 -2.973 1.00 0.00 C ATOM 89 OE1 GLN A 7 -3.854 -12.303 -1.876 1.00 0.00 O ATOM 90 NE2 GLN A 7 -2.031 -12.437 -3.113 1.00 0.00 N ATOM 0 H GLN A 7 -2.322 -15.213 -6.861 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.731 -14.665 -3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.708 -12.680 -5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.255 -13.374 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.457 -11.514 -4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.142 -13.009 -3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.620 -12.519 -4.043 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.428 -12.384 -2.292 1.00 0.00 H new ATOM 99 N PRO A 8 -4.761 -16.232 -4.215 1.00 0.00 N ATOM 100 CA PRO A 8 -5.594 -17.407 -4.335 1.00 0.00 C ATOM 101 C PRO A 8 -6.930 -17.193 -5.064 1.00 0.00 C ATOM 102 O PRO A 8 -6.979 -17.140 -6.288 1.00 0.00 O ATOM 103 CB PRO A 8 -5.788 -17.855 -2.884 1.00 0.00 C ATOM 104 CG PRO A 8 -5.718 -16.592 -2.089 1.00 0.00 C ATOM 105 CD PRO A 8 -4.829 -15.651 -2.861 1.00 0.00 C ATOM 0 HA PRO A 8 -5.117 -18.156 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.746 -18.357 -2.748 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.014 -18.559 -2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.711 -16.164 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.313 -16.781 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.242 -14.643 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.839 -15.580 -2.410 1.00 0.00 H new ATOM 113 N VAL A 9 -7.992 -17.046 -4.315 1.00 0.00 N ATOM 114 CA VAL A 9 -9.317 -16.926 -4.878 1.00 0.00 C ATOM 115 C VAL A 9 -10.071 -15.786 -4.245 1.00 0.00 C ATOM 116 O VAL A 9 -10.595 -14.905 -4.925 1.00 0.00 O ATOM 117 CB VAL A 9 -10.110 -18.250 -4.690 1.00 0.00 C ATOM 118 CG1 VAL A 9 -11.605 -18.030 -4.828 1.00 0.00 C ATOM 119 CG2 VAL A 9 -9.648 -19.299 -5.689 1.00 0.00 C ATOM 0 H VAL A 9 -7.965 -17.006 -3.296 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.210 -16.722 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.911 -18.607 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.126 -18.977 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.939 -17.319 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.825 -17.636 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.215 -20.218 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.810 -18.932 -6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.587 -19.500 -5.541 1.00 0.00 H new ATOM 129 N THR A 10 -10.103 -15.794 -2.938 1.00 0.00 N ATOM 130 CA THR A 10 -10.862 -14.833 -2.194 1.00 0.00 C ATOM 131 C THR A 10 -10.167 -13.470 -2.204 1.00 0.00 C ATOM 132 O THR A 10 -10.754 -12.440 -1.839 1.00 0.00 O ATOM 133 CB THR A 10 -11.090 -15.341 -0.745 1.00 0.00 C ATOM 134 OG1 THR A 10 -12.182 -14.643 -0.142 1.00 0.00 O ATOM 135 CG2 THR A 10 -9.835 -15.170 0.122 1.00 0.00 C ATOM 0 H THR A 10 -9.601 -16.470 -2.362 1.00 0.00 H new ATOM 0 HA THR A 10 -11.836 -14.708 -2.668 1.00 0.00 H new ATOM 0 HB THR A 10 -11.320 -16.405 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.176 -13.709 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.035 -15.537 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.012 -15.736 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.565 -14.115 0.168 1.00 0.00 H new ATOM 143 N ALA A 11 -8.934 -13.469 -2.619 1.00 0.00 N ATOM 144 CA ALA A 11 -8.196 -12.258 -2.692 1.00 0.00 C ATOM 145 C ALA A 11 -7.840 -11.960 -4.121 1.00 0.00 C ATOM 146 O ALA A 11 -7.475 -12.864 -4.886 1.00 0.00 O ATOM 147 CB ALA A 11 -6.977 -12.328 -1.834 1.00 0.00 C ATOM 0 H ALA A 11 -8.423 -14.302 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.816 -11.444 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.427 -11.390 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.270 -12.499 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.342 -13.147 -2.171 1.00 0.00 H new ATOM 153 N VAL A 12 -7.943 -10.713 -4.477 1.00 0.00 N ATOM 154 CA VAL A 12 -7.718 -10.292 -5.837 1.00 0.00 C ATOM 155 C VAL A 12 -6.488 -9.402 -5.915 1.00 0.00 C ATOM 156 O VAL A 12 -6.366 -8.455 -5.143 1.00 0.00 O ATOM 157 CB VAL A 12 -8.951 -9.521 -6.405 1.00 0.00 C ATOM 158 CG1 VAL A 12 -8.736 -9.129 -7.863 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.229 -10.343 -6.258 1.00 0.00 C ATOM 0 H VAL A 12 -8.185 -9.957 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.562 -11.188 -6.438 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.061 -8.608 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.612 -8.594 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.859 -8.486 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.583 -10.026 -8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.071 -9.781 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.123 -11.281 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.406 -10.555 -5.204 1.00 0.00 H new ATOM 169 N VAL A 13 -5.571 -9.729 -6.790 1.00 0.00 N ATOM 170 CA VAL A 13 -4.403 -8.899 -7.010 1.00 0.00 C ATOM 171 C VAL A 13 -4.607 -8.049 -8.271 1.00 0.00 C ATOM 172 O VAL A 13 -4.955 -8.565 -9.336 1.00 0.00 O ATOM 173 CB VAL A 13 -3.088 -9.742 -7.082 1.00 0.00 C ATOM 174 CG1 VAL A 13 -3.120 -10.787 -8.191 1.00 0.00 C ATOM 175 CG2 VAL A 13 -1.859 -8.852 -7.191 1.00 0.00 C ATOM 0 H VAL A 13 -5.607 -10.569 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.286 -8.233 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.020 -10.289 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.182 -11.342 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.948 -11.474 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.253 -10.292 -9.153 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.964 -9.472 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.928 -8.245 -8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.803 -8.201 -6.319 1.00 0.00 H new ATOM 185 N GLN A 14 -4.427 -6.767 -8.145 1.00 0.00 N ATOM 186 CA GLN A 14 -4.674 -5.853 -9.248 1.00 0.00 C ATOM 187 C GLN A 14 -3.506 -4.897 -9.414 1.00 0.00 C ATOM 188 O GLN A 14 -2.784 -4.621 -8.430 1.00 0.00 O ATOM 189 CB GLN A 14 -6.016 -5.107 -9.015 1.00 0.00 C ATOM 190 CG GLN A 14 -6.082 -4.216 -7.765 1.00 0.00 C ATOM 191 CD GLN A 14 -5.757 -2.751 -8.043 1.00 0.00 C ATOM 192 OE1 GLN A 14 -4.519 -2.392 -7.970 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -6.639 -1.955 -8.349 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.108 -6.317 -7.287 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.761 -6.413 -10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.222 -4.489 -9.889 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.814 -5.847 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.081 -4.283 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.386 -4.599 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.610 -2.264 -8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.402 -0.984 -8.553 1.00 0.00 H new ATOM 202 N ARG A 15 -3.319 -4.375 -10.614 1.00 0.00 N ATOM 203 CA ARG A 15 -2.233 -3.468 -10.859 1.00 0.00 C ATOM 204 C ARG A 15 -2.710 -2.041 -10.724 1.00 0.00 C ATOM 205 O ARG A 15 -3.859 -1.723 -11.031 1.00 0.00 O ATOM 206 CB ARG A 15 -1.547 -3.736 -12.235 1.00 0.00 C ATOM 207 CG ARG A 15 -2.326 -3.397 -13.529 1.00 0.00 C ATOM 208 CD ARG A 15 -2.257 -1.898 -13.888 1.00 0.00 C ATOM 209 NE ARG A 15 -2.668 -1.620 -15.281 1.00 0.00 N ATOM 210 CZ ARG A 15 -2.427 -0.456 -15.933 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.089 0.636 -15.252 1.00 0.00 N ATOM 212 NH2 ARG A 15 -2.609 -0.377 -17.246 1.00 0.00 N ATOM 0 H ARG A 15 -3.907 -4.568 -11.425 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.465 -3.639 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.613 -3.175 -12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.284 -4.793 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.924 -3.983 -14.355 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.369 -3.690 -13.408 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.897 -1.337 -13.207 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.239 -1.540 -13.737 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.166 -2.353 -15.785 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.010 0.599 -14.236 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.908 1.510 -15.746 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.931 -1.193 -17.766 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.427 0.500 -17.734 1.00 0.00 H new ATOM 226 N VAL A 16 -1.858 -1.213 -10.241 1.00 0.00 N ATOM 227 CA VAL A 16 -2.142 0.170 -10.086 1.00 0.00 C ATOM 228 C VAL A 16 -1.009 0.942 -10.698 1.00 0.00 C ATOM 229 O VAL A 16 0.117 0.446 -10.752 1.00 0.00 O ATOM 230 CB VAL A 16 -2.336 0.526 -8.598 1.00 0.00 C ATOM 231 CG1 VAL A 16 -1.074 0.495 -7.799 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.141 1.775 -8.385 1.00 0.00 C ATOM 0 H VAL A 16 -0.923 -1.481 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.074 0.427 -10.590 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.943 -0.285 -8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.292 0.756 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.643 -0.506 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.364 1.212 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.239 1.967 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.638 2.617 -8.860 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.131 1.649 -8.823 1.00 0.00 H new ATOM 242 N GLU A 17 -1.287 2.095 -11.187 1.00 0.00 N ATOM 243 CA GLU A 17 -0.292 2.850 -11.857 1.00 0.00 C ATOM 244 C GLU A 17 -0.345 4.284 -11.452 1.00 0.00 C ATOM 245 O GLU A 17 -1.265 5.033 -11.802 1.00 0.00 O ATOM 246 CB GLU A 17 -0.449 2.666 -13.344 1.00 0.00 C ATOM 247 CG GLU A 17 0.522 3.411 -14.205 1.00 0.00 C ATOM 248 CD GLU A 17 0.391 2.969 -15.630 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.744 2.915 -16.150 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.401 2.598 -16.246 1.00 0.00 O ATOM 0 H GLU A 17 -2.203 2.540 -11.135 1.00 0.00 H new ATOM 0 HA GLU A 17 0.696 2.490 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.362 1.603 -13.569 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.458 2.970 -13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.338 4.483 -14.130 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.539 3.237 -13.854 1.00 0.00 H new ATOM 257 N ILE A 18 0.612 4.653 -10.697 1.00 0.00 N ATOM 258 CA ILE A 18 0.718 5.985 -10.234 1.00 0.00 C ATOM 259 C ILE A 18 1.654 6.742 -11.127 1.00 0.00 C ATOM 260 O ILE A 18 2.769 6.290 -11.394 1.00 0.00 O ATOM 261 CB ILE A 18 1.166 6.095 -8.729 1.00 0.00 C ATOM 262 CG1 ILE A 18 0.003 5.879 -7.738 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.839 7.414 -8.445 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.498 4.466 -7.582 1.00 0.00 C ATOM 0 H ILE A 18 1.356 4.034 -10.376 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.279 6.424 -10.273 1.00 0.00 H new ATOM 0 HB ILE A 18 1.884 5.289 -8.577 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.319 6.238 -6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.833 6.504 -8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.134 7.454 -7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.723 7.515 -9.075 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.147 8.229 -8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.314 4.447 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.856 4.099 -8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.313 3.829 -7.230 1.00 0.00 H new ATOM 276 N HIS A 19 1.173 7.840 -11.634 1.00 0.00 N ATOM 277 CA HIS A 19 1.968 8.728 -12.426 1.00 0.00 C ATOM 278 C HIS A 19 2.510 9.796 -11.504 1.00 0.00 C ATOM 279 O HIS A 19 2.033 9.938 -10.381 1.00 0.00 O ATOM 280 CB HIS A 19 1.127 9.418 -13.509 1.00 0.00 C ATOM 281 CG HIS A 19 0.458 8.545 -14.525 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.570 7.227 -14.773 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.459 9.016 -15.426 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.281 6.882 -15.816 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.874 8.003 -16.170 1.00 0.00 N flip ATOM 0 H HIS A 19 0.208 8.146 -11.507 1.00 0.00 H new ATOM 0 HA HIS A 19 2.760 8.159 -12.913 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.356 10.007 -13.012 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.771 10.119 -14.040 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.788 10.041 -15.515 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.425 5.902 -16.245 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.562 8.081 -16.919 1.00 0.00 H new ATOM 293 N LYS A 20 3.489 10.528 -11.974 1.00 0.00 N ATOM 294 CA LYS A 20 4.060 11.660 -11.221 1.00 0.00 C ATOM 295 C LYS A 20 2.983 12.630 -10.653 1.00 0.00 C ATOM 296 O LYS A 20 2.062 13.066 -11.366 1.00 0.00 O ATOM 297 CB LYS A 20 5.030 12.469 -12.099 1.00 0.00 C ATOM 298 CG LYS A 20 4.424 12.953 -13.414 1.00 0.00 C ATOM 299 CD LYS A 20 5.250 14.048 -14.084 1.00 0.00 C ATOM 300 CE LYS A 20 6.655 13.609 -14.448 1.00 0.00 C ATOM 301 NZ LYS A 20 7.375 14.664 -15.199 1.00 0.00 N ATOM 0 H LYS A 20 3.924 10.372 -12.883 1.00 0.00 H new ATOM 0 HA LYS A 20 4.587 11.212 -10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.381 13.332 -11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.903 11.855 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.329 12.108 -14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.417 13.327 -13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.736 14.379 -14.986 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.308 14.908 -13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.208 13.365 -13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.610 12.700 -15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.332 14.332 -15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.859 14.879 -16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.439 15.523 -14.616 1.00 0.00 H new ATOM 315 N LEU A 21 3.092 12.920 -9.379 1.00 0.00 N ATOM 316 CA LEU A 21 2.254 13.898 -8.736 1.00 0.00 C ATOM 317 C LEU A 21 3.127 14.987 -8.153 1.00 0.00 C ATOM 318 O LEU A 21 4.018 14.722 -7.334 1.00 0.00 O ATOM 319 CB LEU A 21 1.405 13.273 -7.633 1.00 0.00 C ATOM 320 CG LEU A 21 0.593 14.253 -6.774 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.533 14.901 -7.565 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.073 13.586 -5.516 1.00 0.00 C ATOM 0 H LEU A 21 3.770 12.480 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 21 1.575 14.313 -9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.715 12.563 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.061 12.702 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 21 1.271 15.050 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.083 15.587 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.115 15.451 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.209 14.130 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.497 14.307 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.571 12.749 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.912 13.221 -4.924 1.00 0.00 H new ATOM 334 N ARG A 22 2.879 16.193 -8.564 1.00 0.00 N ATOM 335 CA ARG A 22 3.643 17.322 -8.106 1.00 0.00 C ATOM 336 C ARG A 22 2.992 17.868 -6.855 1.00 0.00 C ATOM 337 O ARG A 22 1.869 18.374 -6.911 1.00 0.00 O ATOM 338 CB ARG A 22 3.700 18.455 -9.164 1.00 0.00 C ATOM 339 CG ARG A 22 4.457 18.167 -10.486 1.00 0.00 C ATOM 340 CD ARG A 22 3.855 17.038 -11.339 1.00 0.00 C ATOM 341 NE ARG A 22 2.438 17.265 -11.731 1.00 0.00 N ATOM 342 CZ ARG A 22 1.870 16.794 -12.877 1.00 0.00 C ATOM 343 NH1 ARG A 22 2.636 16.352 -13.876 1.00 0.00 N ATOM 344 NH2 ARG A 22 0.546 16.838 -13.044 1.00 0.00 N ATOM 0 H ARG A 22 2.141 16.427 -9.228 1.00 0.00 H new ATOM 0 HA ARG A 22 4.662 16.985 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.676 18.730 -9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.159 19.327 -8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.481 19.080 -11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.490 17.913 -10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.456 16.918 -12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.922 16.102 -10.784 1.00 0.00 H new ATOM 0 HE ARG A 22 1.852 17.810 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.652 16.366 -13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.206 16.001 -14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.048 17.226 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.128 16.484 -13.904 1.00 0.00 H new ATOM 358 N GLN A 23 3.640 17.741 -5.729 1.00 0.00 N ATOM 359 CA GLN A 23 3.112 18.294 -4.517 1.00 0.00 C ATOM 360 C GLN A 23 4.084 19.289 -4.017 1.00 0.00 C ATOM 361 O GLN A 23 5.118 18.906 -3.530 1.00 0.00 O ATOM 362 CB GLN A 23 2.898 17.195 -3.488 1.00 0.00 C ATOM 363 CG GLN A 23 1.727 16.280 -3.795 1.00 0.00 C ATOM 364 CD GLN A 23 0.386 16.920 -3.496 1.00 0.00 C ATOM 365 OE1 GLN A 23 -0.613 16.657 -4.166 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.333 17.697 -2.450 1.00 0.00 N ATOM 0 H GLN A 23 4.533 17.259 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 23 2.148 18.768 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.806 16.595 -3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.742 17.652 -2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.761 15.994 -4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.825 15.364 -3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.180 17.894 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.556 18.108 -2.164 1.00 0.00 H new ATOM 375 N GLY A 24 3.799 20.554 -4.211 1.00 0.00 N ATOM 376 CA GLY A 24 4.697 21.597 -3.774 1.00 0.00 C ATOM 377 C GLY A 24 6.013 21.510 -4.498 1.00 0.00 C ATOM 378 O GLY A 24 6.077 21.740 -5.700 1.00 0.00 O ATOM 0 H GLY A 24 2.951 20.887 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.243 22.572 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.862 21.514 -2.700 1.00 0.00 H new ATOM 382 N GLU A 25 7.043 21.110 -3.789 1.00 0.00 N ATOM 383 CA GLU A 25 8.357 20.953 -4.379 1.00 0.00 C ATOM 384 C GLU A 25 8.737 19.495 -4.462 1.00 0.00 C ATOM 385 O GLU A 25 9.900 19.147 -4.685 1.00 0.00 O ATOM 386 CB GLU A 25 9.406 21.710 -3.590 1.00 0.00 C ATOM 387 CG GLU A 25 9.192 23.196 -3.557 1.00 0.00 C ATOM 388 CD GLU A 25 10.266 23.886 -2.794 1.00 0.00 C ATOM 389 OE1 GLU A 25 11.304 24.234 -3.389 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.095 24.110 -1.579 1.00 0.00 O ATOM 0 H GLU A 25 6.998 20.885 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 25 8.314 21.367 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.419 21.333 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.387 21.504 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.162 23.583 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.225 23.415 -3.105 1.00 0.00 H new ATOM 397 N ASN A 26 7.770 18.637 -4.336 1.00 0.00 N ATOM 398 CA ASN A 26 8.060 17.226 -4.301 1.00 0.00 C ATOM 399 C ASN A 26 7.424 16.579 -5.464 1.00 0.00 C ATOM 400 O ASN A 26 6.554 17.160 -6.133 1.00 0.00 O ATOM 401 CB ASN A 26 7.487 16.526 -3.058 1.00 0.00 C ATOM 402 CG ASN A 26 7.605 17.303 -1.804 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.588 17.221 -1.059 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.589 18.029 -1.547 1.00 0.00 N ATOM 0 H ASN A 26 6.783 18.880 -4.256 1.00 0.00 H new ATOM 0 HA ASN A 26 9.146 17.134 -4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.435 16.304 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.996 15.571 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.560 18.581 -0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.805 18.058 -2.199 1.00 0.00 H new ATOM 411 N LEU A 27 7.805 15.394 -5.668 1.00 0.00 N ATOM 412 CA LEU A 27 7.251 14.558 -6.656 1.00 0.00 C ATOM 413 C LEU A 27 6.887 13.327 -5.873 1.00 0.00 C ATOM 414 O LEU A 27 7.763 12.618 -5.385 1.00 0.00 O ATOM 415 CB LEU A 27 8.314 14.260 -7.735 1.00 0.00 C ATOM 416 CG LEU A 27 7.838 13.729 -9.102 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.142 12.375 -8.998 1.00 0.00 C ATOM 418 CD2 LEU A 27 6.946 14.753 -9.782 1.00 0.00 C ATOM 0 H LEU A 27 8.548 14.949 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 27 6.399 14.982 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.875 15.178 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.013 13.534 -7.321 1.00 0.00 H new ATOM 0 HG LEU A 27 8.726 13.570 -9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.828 12.050 -9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.831 11.643 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.268 12.464 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.617 14.366 -10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.077 14.952 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.503 15.677 -9.934 1.00 0.00 H new ATOM 430 N ILE A 28 5.633 13.144 -5.632 1.00 0.00 N ATOM 431 CA ILE A 28 5.222 12.057 -4.795 1.00 0.00 C ATOM 432 C ILE A 28 4.279 11.178 -5.562 1.00 0.00 C ATOM 433 O ILE A 28 3.749 11.584 -6.585 1.00 0.00 O ATOM 434 CB ILE A 28 4.497 12.535 -3.487 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.820 14.007 -3.150 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.902 11.646 -2.319 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.246 14.483 -1.823 1.00 0.00 C ATOM 0 H ILE A 28 4.877 13.724 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 28 6.124 11.521 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 28 3.424 12.461 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.902 14.135 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.437 14.643 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.396 11.982 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.619 10.615 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.981 11.704 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.518 15.526 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.160 14.390 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.648 13.874 -1.013 1.00 0.00 H new ATOM 449 N LEU A 29 4.072 9.991 -5.067 1.00 0.00 N ATOM 450 CA LEU A 29 3.139 9.069 -5.655 1.00 0.00 C ATOM 451 C LEU A 29 1.757 9.258 -5.046 1.00 0.00 C ATOM 452 O LEU A 29 0.794 8.562 -5.376 1.00 0.00 O ATOM 453 CB LEU A 29 3.630 7.623 -5.517 1.00 0.00 C ATOM 454 CG LEU A 29 4.759 7.180 -6.481 1.00 0.00 C ATOM 455 CD1 LEU A 29 6.080 7.895 -6.219 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.936 5.685 -6.429 1.00 0.00 C ATOM 0 H LEU A 29 4.548 9.632 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 29 3.066 9.280 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.978 7.477 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.778 6.958 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 29 4.450 7.468 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.831 7.542 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.943 8.969 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.412 7.685 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.733 5.389 -7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.197 5.385 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.006 5.198 -6.723 1.00 0.00 H new ATOM 468 N GLY A 30 1.670 10.201 -4.138 1.00 0.00 N ATOM 469 CA GLY A 30 0.411 10.564 -3.572 1.00 0.00 C ATOM 470 C GLY A 30 0.033 9.813 -2.304 1.00 0.00 C ATOM 471 O GLY A 30 -0.517 10.398 -1.381 1.00 0.00 O ATOM 0 H GLY A 30 2.466 10.728 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.423 11.632 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.366 10.400 -4.318 1.00 0.00 H new ATOM 475 N PHE A 31 0.285 8.536 -2.265 1.00 0.00 N ATOM 476 CA PHE A 31 -0.112 7.722 -1.136 1.00 0.00 C ATOM 477 C PHE A 31 1.033 7.528 -0.109 1.00 0.00 C ATOM 478 O PHE A 31 2.187 7.891 -0.366 1.00 0.00 O ATOM 479 CB PHE A 31 -0.647 6.379 -1.647 1.00 0.00 C ATOM 480 CG PHE A 31 0.363 5.495 -2.271 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.720 5.655 -3.586 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.942 4.490 -1.538 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.646 4.826 -4.162 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.869 3.655 -2.099 1.00 0.00 C ATOM 485 CZ PHE A 31 2.227 3.821 -3.417 1.00 0.00 C ATOM 0 H PHE A 31 0.767 8.026 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.903 8.245 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.106 5.848 -0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.436 6.573 -2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.267 6.441 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.662 4.356 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.921 4.959 -5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.318 2.869 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.960 3.167 -3.866 1.00 0.00 H new ATOM 495 N SER A 32 0.692 6.961 1.038 1.00 0.00 N ATOM 496 CA SER A 32 1.617 6.688 2.120 1.00 0.00 C ATOM 497 C SER A 32 1.457 5.243 2.581 1.00 0.00 C ATOM 498 O SER A 32 0.458 4.609 2.262 1.00 0.00 O ATOM 499 CB SER A 32 1.335 7.615 3.275 1.00 0.00 C ATOM 500 OG SER A 32 1.509 8.972 2.905 1.00 0.00 O ATOM 0 H SER A 32 -0.264 6.671 1.245 1.00 0.00 H new ATOM 0 HA SER A 32 2.636 6.846 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.315 7.460 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.998 7.375 4.106 1.00 0.00 H new ATOM 0 HG SER A 32 1.028 9.547 3.536 1.00 0.00 H new ATOM 506 N ILE A 33 2.413 4.735 3.361 1.00 0.00 N ATOM 507 CA ILE A 33 2.410 3.334 3.762 1.00 0.00 C ATOM 508 C ILE A 33 2.464 3.210 5.264 1.00 0.00 C ATOM 509 O ILE A 33 2.708 4.192 5.962 1.00 0.00 O ATOM 510 CB ILE A 33 3.616 2.573 3.168 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.931 2.876 3.933 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.746 2.948 1.724 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.163 2.187 3.388 1.00 0.00 C ATOM 0 H ILE A 33 3.197 5.276 3.726 1.00 0.00 H new ATOM 0 HA ILE A 33 1.486 2.898 3.382 1.00 0.00 H new ATOM 0 HB ILE A 33 3.440 1.502 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.100 3.953 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.802 2.585 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.593 2.420 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.834 2.674 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.905 4.023 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.030 2.462 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.023 1.107 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.326 2.496 2.355 1.00 0.00 H new ATOM 525 N GLY A 34 2.242 2.019 5.750 1.00 0.00 N ATOM 526 CA GLY A 34 2.295 1.789 7.167 1.00 0.00 C ATOM 527 C GLY A 34 3.488 0.984 7.527 1.00 0.00 C ATOM 528 O GLY A 34 4.006 1.070 8.632 1.00 0.00 O ATOM 0 H GLY A 34 2.024 1.196 5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.322 2.743 7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.391 1.272 7.490 1.00 0.00 H new ATOM 532 N GLY A 35 3.975 0.240 6.578 1.00 0.00 N ATOM 533 CA GLY A 35 5.091 -0.592 6.826 1.00 0.00 C ATOM 534 C GLY A 35 4.802 -2.003 6.473 1.00 0.00 C ATOM 535 O GLY A 35 3.707 -2.290 6.074 1.00 0.00 O ATOM 0 H GLY A 35 3.609 0.200 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.946 -0.239 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.368 -0.528 7.878 1.00 0.00 H new ATOM 539 N GLY A 36 5.830 -2.841 6.517 1.00 0.00 N ATOM 540 CA GLY A 36 5.674 -4.238 6.259 1.00 0.00 C ATOM 541 C GLY A 36 6.073 -5.086 7.430 1.00 0.00 C ATOM 542 O GLY A 36 5.474 -5.004 8.480 1.00 0.00 O ATOM 0 H GLY A 36 6.786 -2.558 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.634 -4.443 6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.276 -4.514 5.393 1.00 0.00 H new ATOM 546 N ILE A 37 7.136 -5.856 7.268 1.00 0.00 N ATOM 547 CA ILE A 37 7.581 -6.801 8.312 1.00 0.00 C ATOM 548 C ILE A 37 8.140 -6.090 9.524 1.00 0.00 C ATOM 549 O ILE A 37 8.135 -6.623 10.617 1.00 0.00 O ATOM 550 CB ILE A 37 8.635 -7.834 7.813 1.00 0.00 C ATOM 551 CG1 ILE A 37 10.049 -7.199 7.604 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.141 -8.499 6.539 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.156 -6.197 6.508 1.00 0.00 C ATOM 0 H ILE A 37 7.715 -5.855 6.428 1.00 0.00 H new ATOM 0 HA ILE A 37 6.676 -7.344 8.586 1.00 0.00 H new ATOM 0 HB ILE A 37 8.752 -8.588 8.591 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.354 -6.723 8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.761 -8.001 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.882 -9.220 6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.200 -9.012 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.986 -7.742 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.179 -5.824 6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.890 -6.665 5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.477 -5.367 6.706 1.00 0.00 H new ATOM 565 N ASP A 38 8.605 -4.870 9.307 1.00 0.00 N ATOM 566 CA ASP A 38 9.187 -4.060 10.364 1.00 0.00 C ATOM 567 C ASP A 38 8.098 -3.606 11.333 1.00 0.00 C ATOM 568 O ASP A 38 8.374 -3.114 12.425 1.00 0.00 O ATOM 569 CB ASP A 38 9.900 -2.860 9.718 1.00 0.00 C ATOM 570 CG ASP A 38 10.609 -1.932 10.689 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.735 -2.239 11.115 1.00 0.00 O ATOM 572 OD2 ASP A 38 10.084 -0.845 10.961 1.00 0.00 O ATOM 0 H ASP A 38 8.589 -4.414 8.395 1.00 0.00 H new ATOM 0 HA ASP A 38 9.912 -4.640 10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.629 -3.234 8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.167 -2.281 9.156 1.00 0.00 H new ATOM 577 N GLN A 39 6.852 -3.787 10.923 1.00 0.00 N ATOM 578 CA GLN A 39 5.714 -3.376 11.740 1.00 0.00 C ATOM 579 C GLN A 39 5.064 -4.622 12.332 1.00 0.00 C ATOM 580 O GLN A 39 5.252 -5.730 11.808 1.00 0.00 O ATOM 581 CB GLN A 39 4.694 -2.649 10.868 1.00 0.00 C ATOM 582 CG GLN A 39 5.308 -1.911 9.745 1.00 0.00 C ATOM 583 CD GLN A 39 6.336 -0.879 10.151 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.371 -0.801 9.362 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.241 -0.231 11.188 1.00 0.00 N flip ATOM 0 H GLN A 39 6.600 -4.215 10.032 1.00 0.00 H new ATOM 0 HA GLN A 39 6.051 -2.710 12.535 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.982 -3.373 10.472 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.129 -1.952 11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.779 -2.628 9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.519 -1.415 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.411 -0.325 11.774 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.992 0.402 11.464 1.00 0.00 H new ATOM 594 N ASP A 40 4.335 -4.465 13.414 1.00 0.00 N ATOM 595 CA ASP A 40 3.653 -5.596 14.030 1.00 0.00 C ATOM 596 C ASP A 40 2.223 -5.612 13.562 1.00 0.00 C ATOM 597 O ASP A 40 1.499 -4.633 13.783 1.00 0.00 O ATOM 598 CB ASP A 40 3.595 -5.477 15.531 1.00 0.00 C ATOM 599 CG ASP A 40 3.312 -6.804 16.196 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.182 -7.303 16.098 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.219 -7.353 16.864 1.00 0.00 O ATOM 0 H ASP A 40 4.195 -3.573 13.888 1.00 0.00 H new ATOM 0 HA ASP A 40 4.206 -6.493 13.751 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.542 -5.082 15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.821 -4.761 15.808 1.00 0.00 H new ATOM 606 N PRO A 41 1.763 -6.704 12.967 1.00 0.00 N ATOM 607 CA PRO A 41 0.407 -6.795 12.441 1.00 0.00 C ATOM 608 C PRO A 41 -0.676 -6.642 13.513 1.00 0.00 C ATOM 609 O PRO A 41 -1.757 -6.139 13.244 1.00 0.00 O ATOM 610 CB PRO A 41 0.347 -8.183 11.798 1.00 0.00 C ATOM 611 CG PRO A 41 1.474 -8.947 12.398 1.00 0.00 C ATOM 612 CD PRO A 41 2.528 -7.937 12.736 1.00 0.00 C ATOM 0 HA PRO A 41 0.206 -5.983 11.742 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.608 -8.668 12.000 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.449 -8.119 10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.150 -9.485 13.289 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.857 -9.690 11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.094 -8.229 13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.245 -7.818 11.923 1.00 0.00 H new ATOM 620 N SER A 42 -0.342 -6.985 14.739 1.00 0.00 N ATOM 621 CA SER A 42 -1.301 -6.986 15.824 1.00 0.00 C ATOM 622 C SER A 42 -1.663 -5.549 16.242 1.00 0.00 C ATOM 623 O SER A 42 -2.735 -5.301 16.796 1.00 0.00 O ATOM 624 CB SER A 42 -0.694 -7.722 16.999 1.00 0.00 C ATOM 625 OG SER A 42 0.061 -8.841 16.546 1.00 0.00 O ATOM 0 H SER A 42 0.599 -7.270 15.011 1.00 0.00 H new ATOM 0 HA SER A 42 -2.215 -7.480 15.495 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.053 -7.048 17.567 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.482 -8.056 17.674 1.00 0.00 H new ATOM 0 HG SER A 42 0.987 -8.566 16.382 1.00 0.00 H new ATOM 631 N GLN A 43 -0.777 -4.613 15.950 1.00 0.00 N ATOM 632 CA GLN A 43 -0.984 -3.223 16.331 1.00 0.00 C ATOM 633 C GLN A 43 -0.961 -2.316 15.114 1.00 0.00 C ATOM 634 O GLN A 43 -0.782 -1.105 15.221 1.00 0.00 O ATOM 635 CB GLN A 43 0.056 -2.786 17.378 1.00 0.00 C ATOM 636 CG GLN A 43 1.498 -2.965 16.994 1.00 0.00 C ATOM 637 CD GLN A 43 2.263 -3.763 18.029 1.00 0.00 C ATOM 638 OE1 GLN A 43 1.616 -4.730 18.626 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 3.455 -3.546 18.249 1.00 0.00 N flip ATOM 0 H GLN A 43 0.094 -4.789 15.450 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.971 -3.136 16.785 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.110 -1.733 17.607 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.126 -3.345 18.296 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.557 -3.470 16.030 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.965 -1.988 16.871 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.932 -2.784 17.767 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.965 -4.128 18.913 1.00 0.00 H new ATOM 648 N ASN A 44 -1.184 -2.897 13.970 1.00 0.00 N ATOM 649 CA ASN A 44 -1.172 -2.142 12.733 1.00 0.00 C ATOM 650 C ASN A 44 -2.527 -2.036 12.099 1.00 0.00 C ATOM 651 O ASN A 44 -3.244 -3.010 12.008 1.00 0.00 O ATOM 652 CB ASN A 44 -0.168 -2.684 11.760 1.00 0.00 C ATOM 653 CG ASN A 44 1.124 -1.882 11.793 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.299 -0.956 10.999 1.00 0.00 O ATOM 655 ND2 ASN A 44 2.008 -2.198 12.686 1.00 0.00 N ATOM 0 H ASN A 44 -1.377 -3.892 13.860 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.870 -1.130 13.005 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.043 -3.727 11.996 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.586 -2.663 10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.881 -1.674 12.747 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.831 -2.971 13.328 1.00 0.00 H new ATOM 662 N PRO A 45 -2.833 -0.861 11.539 1.00 0.00 N ATOM 663 CA PRO A 45 -4.178 -0.516 11.049 1.00 0.00 C ATOM 664 C PRO A 45 -4.652 -1.393 9.902 1.00 0.00 C ATOM 665 O PRO A 45 -5.810 -1.778 9.832 1.00 0.00 O ATOM 666 CB PRO A 45 -3.989 0.924 10.560 1.00 0.00 C ATOM 667 CG PRO A 45 -2.542 1.027 10.240 1.00 0.00 C ATOM 668 CD PRO A 45 -1.869 0.233 11.290 1.00 0.00 C ATOM 0 HA PRO A 45 -4.934 -0.650 11.822 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.604 1.128 9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.277 1.643 11.326 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.327 0.633 9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.207 2.064 10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.904 -0.146 10.954 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.685 0.823 12.188 1.00 0.00 H new ATOM 676 N PHE A 46 -3.755 -1.701 9.002 1.00 0.00 N ATOM 677 CA PHE A 46 -4.106 -2.469 7.827 1.00 0.00 C ATOM 678 C PHE A 46 -3.312 -3.748 7.801 1.00 0.00 C ATOM 679 O PHE A 46 -3.106 -4.366 6.748 1.00 0.00 O ATOM 680 CB PHE A 46 -3.860 -1.625 6.576 1.00 0.00 C ATOM 681 CG PHE A 46 -4.520 -0.277 6.659 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.886 -0.139 6.480 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.772 0.846 6.952 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.486 1.100 6.584 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.366 2.081 7.059 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.720 2.212 6.876 1.00 0.00 C ATOM 0 H PHE A 46 -2.772 -1.433 9.057 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.163 -2.734 7.854 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.787 -1.494 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.235 -2.157 5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.487 -1.008 6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.706 0.753 7.099 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.551 1.200 6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.766 2.950 7.287 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.186 3.183 6.960 1.00 0.00 H new ATOM 696 N SER A 47 -2.853 -4.140 8.962 1.00 0.00 N ATOM 697 CA SER A 47 -2.126 -5.369 9.087 1.00 0.00 C ATOM 698 C SER A 47 -2.806 -6.212 10.167 1.00 0.00 C ATOM 699 O SER A 47 -2.406 -7.320 10.466 1.00 0.00 O ATOM 700 CB SER A 47 -0.704 -5.032 9.483 1.00 0.00 C ATOM 701 OG SER A 47 0.218 -6.068 9.198 1.00 0.00 O ATOM 0 H SER A 47 -2.972 -3.623 9.833 1.00 0.00 H new ATOM 0 HA SER A 47 -2.113 -5.930 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.394 -4.126 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.674 -4.812 10.550 1.00 0.00 H new ATOM 0 HG SER A 47 0.699 -5.859 8.370 1.00 0.00 H new ATOM 707 N GLU A 48 -3.878 -5.669 10.715 1.00 0.00 N ATOM 708 CA GLU A 48 -4.598 -6.306 11.799 1.00 0.00 C ATOM 709 C GLU A 48 -5.552 -7.367 11.271 1.00 0.00 C ATOM 710 O GLU A 48 -6.171 -8.110 12.041 1.00 0.00 O ATOM 711 CB GLU A 48 -5.374 -5.262 12.596 1.00 0.00 C ATOM 712 CG GLU A 48 -6.278 -4.384 11.738 1.00 0.00 C ATOM 713 CD GLU A 48 -7.051 -3.372 12.533 1.00 0.00 C ATOM 714 OE1 GLU A 48 -6.450 -2.418 13.057 1.00 0.00 O ATOM 715 OE2 GLU A 48 -8.295 -3.525 12.657 1.00 0.00 O ATOM 0 H GLU A 48 -4.272 -4.776 10.421 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.871 -6.791 12.451 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.980 -5.768 13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.668 -4.627 13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.671 -3.866 10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.977 -5.018 11.192 1.00 0.00 H new ATOM 722 N ASP A 49 -5.661 -7.426 9.965 1.00 0.00 N ATOM 723 CA ASP A 49 -6.553 -8.330 9.285 1.00 0.00 C ATOM 724 C ASP A 49 -6.072 -9.761 9.438 1.00 0.00 C ATOM 725 O ASP A 49 -6.861 -10.664 9.710 1.00 0.00 O ATOM 726 CB ASP A 49 -6.696 -7.932 7.799 1.00 0.00 C ATOM 727 CG ASP A 49 -5.434 -8.086 6.955 1.00 0.00 C ATOM 728 OD1 ASP A 49 -4.349 -7.594 7.365 1.00 0.00 O ATOM 729 OD2 ASP A 49 -5.526 -8.644 5.833 1.00 0.00 O ATOM 0 H ASP A 49 -5.120 -6.834 9.334 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.541 -8.262 9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.486 -8.536 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.022 -6.893 7.749 1.00 0.00 H new ATOM 734 N LYS A 50 -4.783 -9.944 9.297 1.00 0.00 N ATOM 735 CA LYS A 50 -4.134 -11.216 9.473 1.00 0.00 C ATOM 736 C LYS A 50 -2.644 -11.000 9.570 1.00 0.00 C ATOM 737 O LYS A 50 -2.168 -9.918 9.281 1.00 0.00 O ATOM 738 CB LYS A 50 -4.522 -12.236 8.372 1.00 0.00 C ATOM 739 CG LYS A 50 -4.342 -11.766 6.935 1.00 0.00 C ATOM 740 CD LYS A 50 -4.925 -12.797 5.978 1.00 0.00 C ATOM 741 CE LYS A 50 -4.892 -12.338 4.524 1.00 0.00 C ATOM 742 NZ LYS A 50 -3.521 -12.178 3.990 1.00 0.00 N ATOM 0 H LYS A 50 -4.140 -9.191 9.050 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.481 -11.664 10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.928 -13.139 8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.566 -12.515 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.835 -10.804 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.284 -11.616 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.369 -13.730 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.955 -13.010 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.431 -13.060 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.421 -11.389 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.554 -12.150 2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.111 -11.292 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.933 -12.980 4.296 1.00 0.00 H new ATOM 756 N THR A 51 -1.913 -12.030 9.909 1.00 0.00 N ATOM 757 CA THR A 51 -0.482 -11.944 10.180 1.00 0.00 C ATOM 758 C THR A 51 0.362 -11.905 8.905 1.00 0.00 C ATOM 759 O THR A 51 1.580 -12.132 8.921 1.00 0.00 O ATOM 760 CB THR A 51 -0.087 -13.125 11.056 1.00 0.00 C ATOM 761 OG1 THR A 51 -0.768 -14.305 10.574 1.00 0.00 O ATOM 762 CG2 THR A 51 -0.491 -12.863 12.488 1.00 0.00 C ATOM 0 H THR A 51 -2.291 -12.972 10.009 1.00 0.00 H new ATOM 0 HA THR A 51 -0.285 -11.004 10.696 1.00 0.00 H new ATOM 0 HB THR A 51 0.993 -13.268 11.014 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.521 -15.074 11.128 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.205 -13.713 13.108 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.010 -11.965 12.849 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.571 -12.722 12.542 1.00 0.00 H new ATOM 770 N ASP A 52 -0.283 -11.559 7.842 1.00 0.00 N ATOM 771 CA ASP A 52 0.314 -11.464 6.551 1.00 0.00 C ATOM 772 C ASP A 52 0.786 -10.042 6.354 1.00 0.00 C ATOM 773 O ASP A 52 -0.024 -9.117 6.092 1.00 0.00 O ATOM 774 CB ASP A 52 -0.713 -11.860 5.510 1.00 0.00 C ATOM 775 CG ASP A 52 -0.207 -11.806 4.093 1.00 0.00 C ATOM 776 OD1 ASP A 52 0.824 -12.437 3.793 1.00 0.00 O ATOM 777 OD2 ASP A 52 -0.871 -11.178 3.248 1.00 0.00 O ATOM 0 H ASP A 52 -1.276 -11.326 7.848 1.00 0.00 H new ATOM 0 HA ASP A 52 1.169 -12.133 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.058 -12.872 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.578 -11.203 5.601 1.00 0.00 H new ATOM 782 N LYS A 53 2.066 -9.853 6.564 1.00 0.00 N ATOM 783 CA LYS A 53 2.662 -8.552 6.508 1.00 0.00 C ATOM 784 C LYS A 53 3.078 -8.195 5.109 1.00 0.00 C ATOM 785 O LYS A 53 2.918 -8.984 4.160 1.00 0.00 O ATOM 786 CB LYS A 53 3.853 -8.450 7.464 1.00 0.00 C ATOM 787 CG LYS A 53 3.486 -8.727 8.912 1.00 0.00 C ATOM 788 CD LYS A 53 4.678 -8.597 9.841 1.00 0.00 C ATOM 789 CE LYS A 53 5.771 -9.606 9.537 1.00 0.00 C ATOM 790 NZ LYS A 53 5.318 -11.005 9.725 1.00 0.00 N ATOM 0 H LYS A 53 2.722 -10.604 6.779 1.00 0.00 H new ATOM 0 HA LYS A 53 1.904 -7.835 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.623 -9.155 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.285 -7.452 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.706 -8.034 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.072 -9.732 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.087 -7.590 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.346 -8.726 10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.110 -9.472 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.628 -9.415 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.134 -11.646 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.879 -11.105 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.623 -11.247 8.990 1.00 0.00 H new ATOM 804 N GLY A 54 3.631 -7.037 5.001 1.00 0.00 N ATOM 805 CA GLY A 54 3.978 -6.476 3.741 1.00 0.00 C ATOM 806 C GLY A 54 3.638 -5.046 3.820 1.00 0.00 C ATOM 807 O GLY A 54 3.024 -4.664 4.772 1.00 0.00 O ATOM 0 H GLY A 54 3.859 -6.443 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.039 -6.613 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.430 -6.962 2.934 1.00 0.00 H new ATOM 811 N ILE A 55 4.043 -4.267 2.896 1.00 0.00 N ATOM 812 CA ILE A 55 3.774 -2.856 2.925 1.00 0.00 C ATOM 813 C ILE A 55 2.334 -2.598 2.523 1.00 0.00 C ATOM 814 O ILE A 55 1.852 -3.152 1.560 1.00 0.00 O ATOM 815 CB ILE A 55 4.766 -2.110 2.000 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.196 -2.301 2.523 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.428 -0.633 1.910 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.496 -1.557 3.780 1.00 0.00 C ATOM 0 H ILE A 55 4.577 -4.577 2.084 1.00 0.00 H new ATOM 0 HA ILE A 55 3.913 -2.477 3.938 1.00 0.00 H new ATOM 0 HB ILE A 55 4.688 -2.529 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.369 -3.364 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.898 -1.984 1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.142 -0.136 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.422 -0.514 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.477 -0.187 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.527 -1.748 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.359 -0.489 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.822 -1.890 4.569 1.00 0.00 H new ATOM 830 N TYR A 56 1.648 -1.809 3.303 1.00 0.00 N ATOM 831 CA TYR A 56 0.277 -1.470 3.037 1.00 0.00 C ATOM 832 C TYR A 56 0.108 0.008 3.078 1.00 0.00 C ATOM 833 O TYR A 56 0.831 0.699 3.803 1.00 0.00 O ATOM 834 CB TYR A 56 -0.688 -2.173 4.016 1.00 0.00 C ATOM 835 CG TYR A 56 -0.075 -2.381 5.372 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.034 -1.354 6.300 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.470 -3.597 5.679 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.666 -1.564 7.508 1.00 0.00 C ATOM 839 CE2 TYR A 56 1.110 -3.819 6.856 1.00 0.00 C ATOM 840 CZ TYR A 56 1.207 -2.803 7.779 1.00 0.00 C ATOM 841 OH TYR A 56 1.878 -3.013 8.955 1.00 0.00 O ATOM 0 H TYR A 56 2.027 -1.380 4.147 1.00 0.00 H new ATOM 0 HA TYR A 56 0.023 -1.826 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.596 -1.578 4.118 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.983 -3.137 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.380 -0.382 6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.389 -4.404 4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.736 -0.767 8.233 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.540 -4.787 7.066 1.00 0.00 H new ATOM 0 HH TYR A 56 2.091 -2.150 9.369 1.00 0.00 H new ATOM 851 N VAL A 57 -0.807 0.478 2.298 1.00 0.00 N ATOM 852 CA VAL A 57 -1.093 1.876 2.176 1.00 0.00 C ATOM 853 C VAL A 57 -1.927 2.381 3.340 1.00 0.00 C ATOM 854 O VAL A 57 -2.942 1.778 3.696 1.00 0.00 O ATOM 855 CB VAL A 57 -1.813 2.165 0.845 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.210 3.598 0.733 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.933 1.803 -0.306 1.00 0.00 C ATOM 0 H VAL A 57 -1.395 -0.113 1.710 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.141 2.407 2.190 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.718 1.557 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.715 3.762 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.884 3.854 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.321 4.227 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.453 2.012 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.016 2.390 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.687 0.742 -0.256 1.00 0.00 H new ATOM 867 N THR A 58 -1.493 3.473 3.924 1.00 0.00 N ATOM 868 CA THR A 58 -2.182 4.087 5.018 1.00 0.00 C ATOM 869 C THR A 58 -2.878 5.375 4.577 1.00 0.00 C ATOM 870 O THR A 58 -3.809 5.840 5.226 1.00 0.00 O ATOM 871 CB THR A 58 -1.202 4.366 6.155 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.021 4.979 5.603 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.844 3.070 6.875 1.00 0.00 C ATOM 0 H THR A 58 -0.641 3.960 3.645 1.00 0.00 H new ATOM 0 HA THR A 58 -2.951 3.401 5.373 1.00 0.00 H new ATOM 0 HB THR A 58 -1.659 5.038 6.881 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.618 5.165 6.323 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.145 3.284 7.683 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.748 2.621 7.287 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.383 2.378 6.170 1.00 0.00 H new ATOM 881 N ARG A 59 -2.436 5.944 3.469 1.00 0.00 N ATOM 882 CA ARG A 59 -3.060 7.142 2.944 1.00 0.00 C ATOM 883 C ARG A 59 -3.023 7.052 1.468 1.00 0.00 C ATOM 884 O ARG A 59 -2.056 6.587 0.933 1.00 0.00 O ATOM 885 CB ARG A 59 -2.261 8.377 3.265 1.00 0.00 C ATOM 886 CG ARG A 59 -3.095 9.663 3.287 1.00 0.00 C ATOM 887 CD ARG A 59 -2.320 10.876 2.771 1.00 0.00 C ATOM 888 NE ARG A 59 -1.018 11.080 3.421 1.00 0.00 N ATOM 889 CZ ARG A 59 -0.159 12.082 3.101 1.00 0.00 C ATOM 890 NH1 ARG A 59 -0.542 13.065 2.274 1.00 0.00 N ATOM 891 NH2 ARG A 59 1.057 12.113 3.624 1.00 0.00 N ATOM 0 H ARG A 59 -1.651 5.596 2.919 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.060 7.210 3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.784 8.248 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.464 8.484 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.989 9.522 2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.430 9.857 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.164 10.764 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.928 11.769 2.913 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.743 10.430 4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.483 13.063 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.108 13.815 2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.353 11.382 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.698 12.868 3.380 1.00 0.00 H new ATOM 905 N VAL A 60 -4.031 7.515 0.832 1.00 0.00 N ATOM 906 CA VAL A 60 -4.067 7.609 -0.598 1.00 0.00 C ATOM 907 C VAL A 60 -4.412 9.020 -0.944 1.00 0.00 C ATOM 908 O VAL A 60 -5.234 9.640 -0.268 1.00 0.00 O ATOM 909 CB VAL A 60 -5.028 6.574 -1.291 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.307 6.902 -2.727 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.440 5.204 -1.209 1.00 0.00 C ATOM 0 H VAL A 60 -4.879 7.850 1.290 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.085 7.343 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.976 6.621 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.975 6.151 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.777 7.883 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.372 6.910 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.110 4.491 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.474 5.192 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.307 4.927 -0.163 1.00 0.00 H new ATOM 921 N SER A 61 -3.714 9.537 -1.917 1.00 0.00 N ATOM 922 CA SER A 61 -3.866 10.884 -2.376 1.00 0.00 C ATOM 923 C SER A 61 -5.307 11.144 -2.753 1.00 0.00 C ATOM 924 O SER A 61 -5.821 10.521 -3.659 1.00 0.00 O ATOM 925 CB SER A 61 -2.983 11.079 -3.585 1.00 0.00 C ATOM 926 OG SER A 61 -2.820 12.438 -3.903 1.00 0.00 O ATOM 0 H SER A 61 -3.002 9.013 -2.426 1.00 0.00 H new ATOM 0 HA SER A 61 -3.582 11.578 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.007 10.631 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.415 10.556 -4.438 1.00 0.00 H new ATOM 0 HG SER A 61 -1.870 12.673 -3.857 1.00 0.00 H new ATOM 932 N GLU A 62 -5.906 12.101 -2.078 1.00 0.00 N ATOM 933 CA GLU A 62 -7.322 12.468 -2.234 1.00 0.00 C ATOM 934 C GLU A 62 -7.547 13.301 -3.489 1.00 0.00 C ATOM 935 O GLU A 62 -8.652 13.773 -3.772 1.00 0.00 O ATOM 936 CB GLU A 62 -7.716 13.284 -1.036 1.00 0.00 C ATOM 937 CG GLU A 62 -6.892 14.551 -0.903 1.00 0.00 C ATOM 938 CD GLU A 62 -7.193 15.311 0.351 1.00 0.00 C ATOM 939 OE1 GLU A 62 -8.254 15.948 0.435 1.00 0.00 O ATOM 940 OE2 GLU A 62 -6.370 15.273 1.299 1.00 0.00 O ATOM 0 H GLU A 62 -5.420 12.669 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.919 11.560 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.771 13.546 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.599 12.682 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.833 14.294 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.079 15.192 -1.764 1.00 0.00 H new ATOM 947 N GLY A 63 -6.509 13.490 -4.201 1.00 0.00 N ATOM 948 CA GLY A 63 -6.530 14.269 -5.386 1.00 0.00 C ATOM 949 C GLY A 63 -5.282 14.018 -6.136 1.00 0.00 C ATOM 950 O GLY A 63 -4.623 14.948 -6.631 1.00 0.00 O ATOM 0 H GLY A 63 -5.593 13.100 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.396 14.009 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.618 15.328 -5.142 1.00 0.00 H new ATOM 954 N GLY A 64 -4.905 12.773 -6.164 1.00 0.00 N ATOM 955 CA GLY A 64 -3.715 12.404 -6.832 1.00 0.00 C ATOM 956 C GLY A 64 -3.835 11.128 -7.629 1.00 0.00 C ATOM 957 O GLY A 64 -4.903 10.512 -7.673 1.00 0.00 O ATOM 0 H GLY A 64 -5.413 12.003 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.419 13.212 -7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.918 12.289 -6.098 1.00 0.00 H new ATOM 961 N PRO A 65 -2.699 10.660 -8.162 1.00 0.00 N ATOM 962 CA PRO A 65 -2.612 9.520 -9.087 1.00 0.00 C ATOM 963 C PRO A 65 -3.009 8.221 -8.431 1.00 0.00 C ATOM 964 O PRO A 65 -3.494 7.308 -9.084 1.00 0.00 O ATOM 965 CB PRO A 65 -1.122 9.477 -9.444 1.00 0.00 C ATOM 966 CG PRO A 65 -0.444 10.153 -8.306 1.00 0.00 C ATOM 967 CD PRO A 65 -1.385 11.199 -7.849 1.00 0.00 C ATOM 0 HA PRO A 65 -3.280 9.637 -9.941 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.772 8.451 -9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.925 9.991 -10.385 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.223 9.447 -7.505 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.505 10.588 -8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.278 11.392 -6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.210 12.144 -8.363 1.00 0.00 H new ATOM 975 N ALA A 66 -2.803 8.160 -7.134 1.00 0.00 N ATOM 976 CA ALA A 66 -3.100 6.997 -6.360 1.00 0.00 C ATOM 977 C ALA A 66 -4.583 6.620 -6.472 1.00 0.00 C ATOM 978 O ALA A 66 -4.909 5.530 -6.971 1.00 0.00 O ATOM 979 CB ALA A 66 -2.651 7.211 -4.931 1.00 0.00 C ATOM 0 H ALA A 66 -2.419 8.932 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.546 6.145 -6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.878 6.323 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.577 7.395 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.174 8.070 -4.510 1.00 0.00 H new ATOM 985 N GLU A 67 -5.483 7.524 -6.086 1.00 0.00 N ATOM 986 CA GLU A 67 -6.917 7.222 -6.210 1.00 0.00 C ATOM 987 C GLU A 67 -7.372 7.248 -7.666 1.00 0.00 C ATOM 988 O GLU A 67 -8.344 6.589 -8.026 1.00 0.00 O ATOM 989 CB GLU A 67 -7.830 8.123 -5.365 1.00 0.00 C ATOM 990 CG GLU A 67 -7.775 9.607 -5.692 1.00 0.00 C ATOM 991 CD GLU A 67 -9.017 10.324 -5.216 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.143 10.607 -4.028 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.913 10.606 -6.056 1.00 0.00 O ATOM 0 H GLU A 67 -5.262 8.441 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.020 6.213 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.858 7.781 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.569 7.991 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.896 10.051 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.667 9.740 -6.768 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.692 8.037 -8.492 1.00 0.00 N ATOM 1001 CA ILE A 68 -6.987 8.093 -9.927 1.00 0.00 C ATOM 1002 C ILE A 68 -6.776 6.721 -10.587 1.00 0.00 C ATOM 1003 O ILE A 68 -7.567 6.295 -11.429 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.144 9.203 -10.638 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.639 10.605 -10.246 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.117 9.047 -12.156 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.084 10.893 -10.624 1.00 0.00 C ATOM 0 H ILE A 68 -5.931 8.649 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.038 8.358 -10.041 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.118 9.081 -10.291 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.527 10.728 -9.169 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.998 11.348 -10.720 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.517 9.845 -12.593 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.681 8.082 -12.415 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.134 9.102 -12.546 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.348 11.903 -10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.202 10.806 -11.704 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.739 10.176 -10.129 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.724 6.041 -10.198 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.450 4.718 -10.716 1.00 0.00 C ATOM 1021 C ALA A 69 -6.340 3.668 -10.047 1.00 0.00 C ATOM 1022 O ALA A 69 -6.941 2.821 -10.721 1.00 0.00 O ATOM 1023 CB ALA A 69 -3.998 4.380 -10.522 1.00 0.00 C ATOM 0 H ALA A 69 -5.040 6.382 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.675 4.714 -11.783 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.801 3.382 -10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.381 5.107 -11.051 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.757 4.405 -9.459 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.421 3.713 -8.732 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.264 2.774 -8.028 1.00 0.00 C ATOM 1031 C GLY A 70 -6.657 2.273 -6.733 1.00 0.00 C ATOM 1032 O GLY A 70 -7.095 1.253 -6.196 1.00 0.00 O ATOM 0 H GLY A 70 -5.922 4.378 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.222 3.248 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.469 1.923 -8.678 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.656 2.972 -6.240 1.00 0.00 N ATOM 1037 CA LEU A 71 -5.013 2.622 -4.991 1.00 0.00 C ATOM 1038 C LEU A 71 -5.923 3.004 -3.851 1.00 0.00 C ATOM 1039 O LEU A 71 -6.442 4.118 -3.820 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.636 3.327 -4.905 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.725 3.036 -3.703 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.925 1.601 -3.238 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.316 3.120 -4.197 1.00 0.00 C ATOM 0 H LEU A 71 -5.266 3.798 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.833 1.548 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.080 3.075 -5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.814 4.402 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.943 3.734 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.276 1.401 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.965 1.455 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.678 0.918 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.629 2.920 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.162 2.383 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.128 4.118 -4.592 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.179 2.066 -2.978 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.051 2.274 -1.866 1.00 0.00 C ATOM 1057 C GLN A 72 -6.276 2.205 -0.579 1.00 0.00 C ATOM 1058 O GLN A 72 -5.259 1.512 -0.479 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.153 1.209 -1.850 1.00 0.00 C ATOM 1060 CG GLN A 72 -8.972 1.149 -3.119 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.788 2.393 -3.354 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -9.172 3.392 -3.929 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.948 2.475 -2.948 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.781 1.128 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.504 3.261 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.698 0.234 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.819 1.403 -1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.306 0.993 -3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.638 0.288 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.391 1.670 -2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.465 3.348 -3.055 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.715 2.948 0.383 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.138 2.875 1.700 1.00 0.00 C ATOM 1074 C ILE A 73 -6.444 1.502 2.300 1.00 0.00 C ATOM 1075 O ILE A 73 -7.619 1.099 2.400 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.667 3.988 2.634 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.255 5.359 2.119 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.161 3.781 4.042 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.662 6.504 3.019 1.00 0.00 C ATOM 0 H ILE A 73 -7.477 3.620 0.288 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.062 3.020 1.607 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.756 3.937 2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.173 5.378 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.694 5.512 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.543 4.573 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.503 2.815 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.071 3.805 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.332 7.446 2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.747 6.515 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.202 6.378 3.999 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.412 0.793 2.680 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.579 -0.526 3.208 1.00 0.00 C ATOM 1093 C GLY A 74 -5.004 -1.568 2.295 1.00 0.00 C ATOM 1094 O GLY A 74 -4.806 -2.723 2.701 1.00 0.00 O ATOM 0 H GLY A 74 -4.445 1.114 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.097 -0.591 4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.640 -0.724 3.363 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.738 -1.168 1.063 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.151 -2.059 0.074 1.00 0.00 C ATOM 1100 C ASP A 75 -2.780 -2.490 0.487 1.00 0.00 C ATOM 1101 O ASP A 75 -1.935 -1.653 0.836 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.066 -1.413 -1.317 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.383 -1.353 -2.050 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.290 -2.103 -1.700 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.519 -0.549 -2.998 1.00 0.00 O ATOM 0 H ASP A 75 -4.921 -0.225 0.721 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.812 -2.924 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.674 -0.401 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.351 -1.971 -1.922 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.563 -3.784 0.499 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.258 -4.321 0.769 1.00 0.00 C ATOM 1112 C LYS A 76 -0.555 -4.436 -0.568 1.00 0.00 C ATOM 1113 O LYS A 76 -1.078 -5.077 -1.493 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.329 -5.716 1.417 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.086 -5.832 2.745 1.00 0.00 C ATOM 1116 CD LYS A 76 -2.071 -7.293 3.213 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.919 -7.546 4.460 1.00 0.00 C ATOM 1118 NZ LYS A 76 -2.371 -6.960 5.710 1.00 0.00 N ATOM 0 H LYS A 76 -3.282 -4.486 0.323 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.732 -3.669 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.792 -6.397 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.309 -6.067 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.624 -5.193 3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.113 -5.488 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.431 -7.928 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.042 -7.590 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.917 -7.142 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.029 -8.622 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.864 -7.368 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.355 -7.171 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.510 -5.929 5.700 1.00 0.00 H new ATOM 1132 N ILE A 77 0.579 -3.818 -0.692 1.00 0.00 N ATOM 1133 CA ILE A 77 1.294 -3.822 -1.931 1.00 0.00 C ATOM 1134 C ILE A 77 2.235 -5.005 -1.934 1.00 0.00 C ATOM 1135 O ILE A 77 3.042 -5.166 -1.023 1.00 0.00 O ATOM 1136 CB ILE A 77 2.140 -2.539 -2.193 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.381 -1.223 -1.968 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.655 -2.564 -3.597 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.356 -0.774 -0.537 1.00 0.00 C ATOM 0 H ILE A 77 1.034 -3.299 0.059 1.00 0.00 H new ATOM 0 HA ILE A 77 0.542 -3.871 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 77 2.950 -2.559 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.839 -0.442 -2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.356 -1.341 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.247 -1.668 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.278 -3.447 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.816 -2.595 -4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.802 0.162 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.871 -1.535 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.377 -0.622 -0.185 1.00 0.00 H new ATOM 1151 N MET A 78 2.157 -5.817 -2.948 1.00 0.00 N ATOM 1152 CA MET A 78 2.972 -6.998 -2.998 1.00 0.00 C ATOM 1153 C MET A 78 4.010 -6.924 -4.092 1.00 0.00 C ATOM 1154 O MET A 78 4.922 -7.758 -4.153 1.00 0.00 O ATOM 1155 CB MET A 78 2.106 -8.257 -3.109 1.00 0.00 C ATOM 1156 CG MET A 78 1.241 -8.461 -1.879 1.00 0.00 C ATOM 1157 SD MET A 78 2.240 -8.681 -0.392 1.00 0.00 S ATOM 1158 CE MET A 78 1.019 -8.480 0.884 1.00 0.00 C ATOM 0 H MET A 78 1.540 -5.685 -3.749 1.00 0.00 H new ATOM 0 HA MET A 78 3.521 -7.059 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.470 -8.183 -3.991 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.747 -9.127 -3.250 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.582 -7.603 -1.751 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.604 -9.334 -2.022 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.393 -7.790 1.640 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.102 -8.081 0.450 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.812 -9.446 1.345 1.00 0.00 H new ATOM 1168 N GLN A 79 3.924 -5.901 -4.920 1.00 0.00 N ATOM 1169 CA GLN A 79 4.840 -5.732 -6.032 1.00 0.00 C ATOM 1170 C GLN A 79 4.807 -4.247 -6.472 1.00 0.00 C ATOM 1171 O GLN A 79 3.761 -3.656 -6.504 1.00 0.00 O ATOM 1172 CB GLN A 79 4.447 -6.774 -7.134 1.00 0.00 C ATOM 1173 CG GLN A 79 5.351 -6.929 -8.356 1.00 0.00 C ATOM 1174 CD GLN A 79 5.145 -5.878 -9.410 1.00 0.00 C ATOM 1175 OE1 GLN A 79 5.916 -4.861 -9.375 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 4.327 -6.024 -10.293 1.00 0.00 N flip ATOM 0 H GLN A 79 3.221 -5.166 -4.842 1.00 0.00 H new ATOM 0 HA GLN A 79 5.880 -5.936 -5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.371 -7.750 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.450 -6.516 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.391 -6.903 -8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.180 -7.910 -8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.723 -6.846 -10.298 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.243 -5.325 -11.031 1.00 0.00 H new ATOM 1185 N VAL A 80 5.976 -3.663 -6.736 1.00 0.00 N ATOM 1186 CA VAL A 80 6.146 -2.231 -7.088 1.00 0.00 C ATOM 1187 C VAL A 80 7.232 -2.102 -8.137 1.00 0.00 C ATOM 1188 O VAL A 80 8.346 -2.521 -7.900 1.00 0.00 O ATOM 1189 CB VAL A 80 6.583 -1.383 -5.836 1.00 0.00 C ATOM 1190 CG1 VAL A 80 7.115 0.006 -6.212 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.447 -1.242 -4.874 1.00 0.00 C ATOM 0 H VAL A 80 6.858 -4.174 -6.714 1.00 0.00 H new ATOM 0 HA VAL A 80 5.190 -1.861 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 80 7.401 -1.929 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.400 0.543 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.985 -0.101 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.338 0.564 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.768 -0.653 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.613 -0.741 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.130 -2.229 -4.538 1.00 0.00 H new ATOM 1201 N ASN A 81 6.880 -1.571 -9.291 1.00 0.00 N ATOM 1202 CA ASN A 81 7.803 -1.303 -10.399 1.00 0.00 C ATOM 1203 C ASN A 81 8.728 -2.482 -10.675 1.00 0.00 C ATOM 1204 O ASN A 81 9.950 -2.409 -10.522 1.00 0.00 O ATOM 1205 CB ASN A 81 8.587 -0.015 -10.191 1.00 0.00 C ATOM 1206 CG ASN A 81 9.143 0.489 -11.493 1.00 0.00 C ATOM 1207 OD1 ASN A 81 8.326 1.199 -12.199 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 10.272 0.203 -11.877 1.00 0.00 N flip ATOM 0 H ASN A 81 5.918 -1.303 -9.499 1.00 0.00 H new ATOM 0 HA ASN A 81 7.187 -1.165 -11.288 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.939 0.743 -9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.400 -0.189 -9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.884 -0.360 -11.287 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.599 0.528 -12.787 1.00 0.00 H new ATOM 1215 N GLY A 82 8.098 -3.586 -10.950 1.00 0.00 N ATOM 1216 CA GLY A 82 8.765 -4.838 -11.249 1.00 0.00 C ATOM 1217 C GLY A 82 9.374 -5.567 -10.037 1.00 0.00 C ATOM 1218 O GLY A 82 9.665 -6.767 -10.110 1.00 0.00 O ATOM 0 H GLY A 82 7.080 -3.652 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.050 -5.505 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.558 -4.644 -11.971 1.00 0.00 H new ATOM 1222 N TRP A 83 9.555 -4.870 -8.946 1.00 0.00 N ATOM 1223 CA TRP A 83 10.129 -5.440 -7.745 1.00 0.00 C ATOM 1224 C TRP A 83 9.005 -5.951 -6.846 1.00 0.00 C ATOM 1225 O TRP A 83 7.866 -5.502 -6.967 1.00 0.00 O ATOM 1226 CB TRP A 83 11.030 -4.365 -7.056 1.00 0.00 C ATOM 1227 CG TRP A 83 10.648 -3.927 -5.658 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.562 -3.197 -5.295 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.394 -4.138 -4.459 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.563 -2.976 -3.947 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.679 -3.533 -3.417 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.593 -4.790 -4.161 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.110 -3.552 -2.122 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.026 -4.803 -2.851 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.283 -4.185 -1.846 1.00 0.00 C ATOM 0 H TRP A 83 9.308 -3.884 -8.860 1.00 0.00 H new ATOM 0 HA TRP A 83 10.765 -6.295 -7.974 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.049 -4.752 -7.021 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.046 -3.481 -7.693 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.804 -2.841 -5.977 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.843 -2.475 -3.426 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.168 -5.273 -4.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.537 -3.078 -1.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.953 -5.298 -2.601 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.645 -4.209 -0.829 1.00 0.00 H new ATOM 1246 N ASP A 84 9.303 -6.874 -5.981 1.00 0.00 N ATOM 1247 CA ASP A 84 8.311 -7.423 -5.067 1.00 0.00 C ATOM 1248 C ASP A 84 8.355 -6.707 -3.741 1.00 0.00 C ATOM 1249 O ASP A 84 9.399 -6.609 -3.110 1.00 0.00 O ATOM 1250 CB ASP A 84 8.490 -8.930 -4.849 1.00 0.00 C ATOM 1251 CG ASP A 84 8.149 -9.757 -6.061 1.00 0.00 C ATOM 1252 OD1 ASP A 84 8.978 -9.830 -6.997 1.00 0.00 O ATOM 1253 OD2 ASP A 84 7.052 -10.378 -6.099 1.00 0.00 O ATOM 0 H ASP A 84 10.235 -7.276 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 84 7.337 -7.269 -5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.523 -9.128 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.863 -9.246 -4.015 1.00 0.00 H new ATOM 1258 N MET A 85 7.215 -6.235 -3.312 1.00 0.00 N ATOM 1259 CA MET A 85 7.092 -5.482 -2.067 1.00 0.00 C ATOM 1260 C MET A 85 6.432 -6.342 -0.974 1.00 0.00 C ATOM 1261 O MET A 85 6.222 -5.916 0.160 1.00 0.00 O ATOM 1262 CB MET A 85 6.343 -4.151 -2.343 1.00 0.00 C ATOM 1263 CG MET A 85 5.991 -3.332 -1.110 1.00 0.00 C ATOM 1264 SD MET A 85 5.673 -1.605 -1.457 1.00 0.00 S ATOM 1265 CE MET A 85 7.309 -1.053 -1.938 1.00 0.00 C ATOM 0 H MET A 85 6.334 -6.356 -3.811 1.00 0.00 H new ATOM 0 HA MET A 85 8.079 -5.223 -1.684 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.958 -3.538 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.423 -4.377 -2.883 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.110 -3.766 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.808 -3.404 -0.392 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.443 -0.012 -1.645 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.061 -1.669 -1.444 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.420 -1.142 -3.019 1.00 0.00 H new ATOM 1275 N THR A 86 6.176 -7.579 -1.324 1.00 0.00 N ATOM 1276 CA THR A 86 5.567 -8.540 -0.421 1.00 0.00 C ATOM 1277 C THR A 86 6.441 -8.799 0.851 1.00 0.00 C ATOM 1278 O THR A 86 5.933 -9.203 1.896 1.00 0.00 O ATOM 1279 CB THR A 86 5.247 -9.873 -1.179 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.534 -10.770 -0.343 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.507 -10.553 -1.688 1.00 0.00 C ATOM 0 H THR A 86 6.384 -7.955 -2.249 1.00 0.00 H new ATOM 0 HA THR A 86 4.630 -8.110 -0.066 1.00 0.00 H new ATOM 0 HB THR A 86 4.630 -9.607 -2.037 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.656 -10.390 -0.129 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.239 -11.473 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.028 -9.887 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.159 -10.788 -0.847 1.00 0.00 H new ATOM 1289 N MET A 87 7.734 -8.540 0.755 1.00 0.00 N ATOM 1290 CA MET A 87 8.651 -8.721 1.865 1.00 0.00 C ATOM 1291 C MET A 87 9.660 -7.572 1.861 1.00 0.00 C ATOM 1292 O MET A 87 10.685 -7.641 1.172 1.00 0.00 O ATOM 1293 CB MET A 87 9.381 -10.078 1.729 1.00 0.00 C ATOM 1294 CG MET A 87 10.369 -10.419 2.848 1.00 0.00 C ATOM 1295 SD MET A 87 9.586 -10.702 4.451 1.00 0.00 S ATOM 1296 CE MET A 87 8.560 -12.135 4.098 1.00 0.00 C ATOM 0 H MET A 87 8.177 -8.198 -0.097 1.00 0.00 H new ATOM 0 HA MET A 87 8.101 -8.720 2.806 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.632 -10.868 1.678 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.918 -10.087 0.781 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.930 -11.310 2.566 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.089 -9.606 2.944 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.257 -12.605 5.034 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.674 -11.821 3.546 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.126 -12.849 3.500 1.00 0.00 H new ATOM 1306 N VAL A 88 9.345 -6.485 2.557 1.00 0.00 N ATOM 1307 CA VAL A 88 10.224 -5.334 2.591 1.00 0.00 C ATOM 1308 C VAL A 88 9.893 -4.464 3.795 1.00 0.00 C ATOM 1309 O VAL A 88 8.737 -4.467 4.287 1.00 0.00 O ATOM 1310 CB VAL A 88 10.113 -4.498 1.281 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.714 -3.980 1.057 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.095 -3.361 1.292 1.00 0.00 C ATOM 0 H VAL A 88 8.489 -6.382 3.102 1.00 0.00 H new ATOM 0 HA VAL A 88 11.250 -5.693 2.675 1.00 0.00 H new ATOM 0 HB VAL A 88 10.353 -5.165 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.683 -3.403 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.023 -4.819 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.424 -3.343 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.001 -2.790 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.890 -2.711 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.108 -3.756 1.373 1.00 0.00 H new ATOM 1322 N THR A 89 10.891 -3.778 4.321 1.00 0.00 N ATOM 1323 CA THR A 89 10.696 -2.897 5.414 1.00 0.00 C ATOM 1324 C THR A 89 10.052 -1.623 4.951 1.00 0.00 C ATOM 1325 O THR A 89 10.065 -1.298 3.756 1.00 0.00 O ATOM 1326 CB THR A 89 12.016 -2.565 6.131 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.015 -2.217 5.179 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.493 -3.718 6.990 1.00 0.00 C ATOM 0 H THR A 89 11.854 -3.829 3.988 1.00 0.00 H new ATOM 0 HA THR A 89 10.043 -3.408 6.121 1.00 0.00 H new ATOM 0 HB THR A 89 11.832 -1.716 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.457 -3.030 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.428 -3.445 7.480 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.740 -3.945 7.745 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.655 -4.596 6.364 1.00 0.00 H new ATOM 1336 N HIS A 90 9.463 -0.929 5.889 1.00 0.00 N ATOM 1337 CA HIS A 90 8.869 0.375 5.649 1.00 0.00 C ATOM 1338 C HIS A 90 9.920 1.307 5.020 1.00 0.00 C ATOM 1339 O HIS A 90 9.640 2.011 4.066 1.00 0.00 O ATOM 1340 CB HIS A 90 8.357 0.938 6.993 1.00 0.00 C ATOM 1341 CG HIS A 90 7.631 2.255 6.937 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.304 2.404 7.241 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.067 3.486 6.602 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.974 3.674 7.070 1.00 0.00 C ATOM 1345 NE2 HIS A 90 7.011 4.387 6.688 1.00 0.00 N ATOM 0 H HIS A 90 9.377 -1.250 6.853 1.00 0.00 H new ATOM 0 HA HIS A 90 8.030 0.295 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.691 0.200 7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.209 1.047 7.664 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.078 3.734 6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.982 4.073 7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.036 5.388 6.496 1.00 0.00 H new ATOM 1353 N ASP A 91 11.126 1.222 5.536 1.00 0.00 N ATOM 1354 CA ASP A 91 12.260 2.056 5.107 1.00 0.00 C ATOM 1355 C ASP A 91 12.613 1.860 3.638 1.00 0.00 C ATOM 1356 O ASP A 91 12.810 2.831 2.888 1.00 0.00 O ATOM 1357 CB ASP A 91 13.466 1.711 5.939 1.00 0.00 C ATOM 1358 CG ASP A 91 14.677 2.579 5.619 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.623 3.810 5.821 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.691 2.053 5.131 1.00 0.00 O ATOM 0 H ASP A 91 11.365 0.565 6.279 1.00 0.00 H new ATOM 0 HA ASP A 91 11.965 3.097 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.216 1.820 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.724 0.664 5.779 1.00 0.00 H new ATOM 1365 N GLN A 92 12.711 0.620 3.228 1.00 0.00 N ATOM 1366 CA GLN A 92 13.078 0.295 1.841 1.00 0.00 C ATOM 1367 C GLN A 92 11.946 0.611 0.913 1.00 0.00 C ATOM 1368 O GLN A 92 12.144 1.115 -0.187 1.00 0.00 O ATOM 1369 CB GLN A 92 13.484 -1.170 1.731 1.00 0.00 C ATOM 1370 CG GLN A 92 14.960 -1.462 1.930 1.00 0.00 C ATOM 1371 CD GLN A 92 15.593 -0.581 2.964 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.202 0.438 2.636 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.302 -0.843 4.179 1.00 0.00 N ATOM 0 H GLN A 92 12.545 -0.192 3.822 1.00 0.00 H new ATOM 0 HA GLN A 92 13.932 0.907 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.917 -1.741 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.190 -1.536 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.083 -2.505 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.482 -1.334 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.796 -1.698 4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.575 -0.197 4.920 1.00 0.00 H new ATOM 1382 N ALA A 93 10.763 0.359 1.388 1.00 0.00 N ATOM 1383 CA ALA A 93 9.563 0.620 0.629 1.00 0.00 C ATOM 1384 C ALA A 93 9.374 2.101 0.369 1.00 0.00 C ATOM 1385 O ALA A 93 9.081 2.504 -0.758 1.00 0.00 O ATOM 1386 CB ALA A 93 8.377 0.069 1.338 1.00 0.00 C ATOM 0 H ALA A 93 10.596 -0.034 2.314 1.00 0.00 H new ATOM 0 HA ALA A 93 9.668 0.125 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.478 0.272 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.494 -1.008 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.288 0.538 2.318 1.00 0.00 H new ATOM 1392 N ARG A 94 9.565 2.909 1.406 1.00 0.00 N ATOM 1393 CA ARG A 94 9.431 4.361 1.314 1.00 0.00 C ATOM 1394 C ARG A 94 10.292 4.931 0.194 1.00 0.00 C ATOM 1395 O ARG A 94 9.830 5.730 -0.603 1.00 0.00 O ATOM 1396 CB ARG A 94 9.753 5.017 2.663 1.00 0.00 C ATOM 1397 CG ARG A 94 8.612 4.965 3.655 1.00 0.00 C ATOM 1398 CD ARG A 94 7.581 6.056 3.405 1.00 0.00 C ATOM 1399 NE ARG A 94 8.080 7.369 3.863 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.394 8.534 3.915 1.00 0.00 C ATOM 1401 NH1 ARG A 94 6.169 8.648 3.398 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.958 9.597 4.473 1.00 0.00 N ATOM 0 H ARG A 94 9.818 2.576 2.337 1.00 0.00 H new ATOM 0 HA ARG A 94 8.395 4.591 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.623 4.524 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.028 6.058 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.128 3.990 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.007 5.066 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.346 6.103 2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.655 5.813 3.926 1.00 0.00 H new ATOM 0 HE ARG A 94 9.051 7.401 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.728 7.845 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.674 9.538 3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.900 9.531 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.449 10.480 4.517 1.00 0.00 H new ATOM 1416 N LYS A 95 11.467 4.395 0.039 1.00 0.00 N ATOM 1417 CA LYS A 95 12.401 4.889 -0.956 1.00 0.00 C ATOM 1418 C LYS A 95 12.117 4.286 -2.322 1.00 0.00 C ATOM 1419 O LYS A 95 12.983 4.249 -3.186 1.00 0.00 O ATOM 1420 CB LYS A 95 13.839 4.600 -0.543 1.00 0.00 C ATOM 1421 CG LYS A 95 14.261 5.266 0.758 1.00 0.00 C ATOM 1422 CD LYS A 95 15.755 5.095 1.013 1.00 0.00 C ATOM 1423 CE LYS A 95 16.155 3.636 1.174 1.00 0.00 C ATOM 1424 NZ LYS A 95 15.551 3.016 2.373 1.00 0.00 N ATOM 0 H LYS A 95 11.812 3.609 0.589 1.00 0.00 H new ATOM 0 HA LYS A 95 12.269 5.969 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.967 3.522 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.507 4.929 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.016 6.327 0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.698 4.838 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.314 5.533 0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.032 5.646 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.851 3.079 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.241 3.565 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.919 2.050 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.791 3.579 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.517 2.982 2.263 1.00 0.00 H new ATOM 1438 N ARG A 96 10.890 3.866 -2.535 1.00 0.00 N ATOM 1439 CA ARG A 96 10.522 3.285 -3.778 1.00 0.00 C ATOM 1440 C ARG A 96 9.095 3.642 -4.149 1.00 0.00 C ATOM 1441 O ARG A 96 8.801 3.893 -5.303 1.00 0.00 O ATOM 1442 CB ARG A 96 10.810 1.773 -3.827 1.00 0.00 C ATOM 1443 CG ARG A 96 10.672 1.181 -5.226 1.00 0.00 C ATOM 1444 CD ARG A 96 11.362 -0.168 -5.350 1.00 0.00 C ATOM 1445 NE ARG A 96 12.810 -0.079 -5.066 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.737 -0.993 -5.407 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.447 -1.950 -6.285 1.00 0.00 N ATOM 1448 NH2 ARG A 96 14.977 -0.879 -4.938 1.00 0.00 N ATOM 0 H ARG A 96 10.136 3.923 -1.850 1.00 0.00 H new ATOM 0 HA ARG A 96 11.159 3.720 -4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.820 1.590 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.127 1.257 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.615 1.070 -5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.096 1.872 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.901 -0.876 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.214 -0.560 -6.356 1.00 0.00 H new ATOM 0 HE ARG A 96 13.136 0.749 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.518 -1.994 -6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.154 -2.640 -6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.220 -0.102 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.684 -1.569 -5.193 1.00 0.00 H new ATOM 1462 N LEU A 97 8.217 3.685 -3.176 1.00 0.00 N ATOM 1463 CA LEU A 97 6.840 4.094 -3.442 1.00 0.00 C ATOM 1464 C LEU A 97 6.571 5.561 -3.124 1.00 0.00 C ATOM 1465 O LEU A 97 5.544 6.091 -3.459 1.00 0.00 O ATOM 1466 CB LEU A 97 5.870 3.187 -2.738 1.00 0.00 C ATOM 1467 CG LEU A 97 6.203 2.846 -1.304 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.094 4.041 -0.366 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.352 1.742 -0.854 1.00 0.00 C ATOM 0 H LEU A 97 8.417 3.448 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 97 6.689 3.996 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.885 3.654 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.796 2.258 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 97 7.248 2.539 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.345 3.731 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.784 4.821 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.075 4.427 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.592 1.496 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.305 2.038 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.525 0.869 -1.484 1.00 0.00 H new ATOM 1481 N THR A 98 7.422 6.168 -2.371 1.00 0.00 N ATOM 1482 CA THR A 98 7.294 7.598 -2.201 1.00 0.00 C ATOM 1483 C THR A 98 8.579 8.314 -2.624 1.00 0.00 C ATOM 1484 O THR A 98 8.766 9.508 -2.331 1.00 0.00 O ATOM 1485 CB THR A 98 6.801 8.005 -0.767 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.526 9.410 -0.694 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.800 7.663 0.294 1.00 0.00 C ATOM 0 H THR A 98 8.195 5.727 -1.872 1.00 0.00 H new ATOM 0 HA THR A 98 6.503 7.936 -2.870 1.00 0.00 H new ATOM 0 HB THR A 98 5.888 7.436 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.244 9.907 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.414 7.964 1.268 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.980 6.588 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.735 8.188 0.097 1.00 0.00 H new ATOM 1495 N LYS A 99 9.452 7.576 -3.334 1.00 0.00 N ATOM 1496 CA LYS A 99 10.662 8.156 -3.929 1.00 0.00 C ATOM 1497 C LYS A 99 10.276 9.225 -4.964 1.00 0.00 C ATOM 1498 O LYS A 99 9.158 9.237 -5.463 1.00 0.00 O ATOM 1499 CB LYS A 99 11.519 7.087 -4.648 1.00 0.00 C ATOM 1500 CG LYS A 99 10.787 6.389 -5.797 1.00 0.00 C ATOM 1501 CD LYS A 99 11.748 5.779 -6.830 1.00 0.00 C ATOM 1502 CE LYS A 99 12.455 4.545 -6.323 1.00 0.00 C ATOM 1503 NZ LYS A 99 13.517 4.081 -7.235 1.00 0.00 N ATOM 0 H LYS A 99 9.339 6.577 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 99 11.242 8.590 -3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.422 7.558 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.836 6.339 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.149 5.603 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.133 7.106 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.190 5.527 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.490 6.526 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.888 4.756 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.727 3.746 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.605 3.047 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.276 4.345 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.420 4.524 -6.970 1.00 0.00 H new ATOM 1517 N ARG A 100 11.206 10.079 -5.305 1.00 0.00 N ATOM 1518 CA ARG A 100 10.942 11.133 -6.281 1.00 0.00 C ATOM 1519 C ARG A 100 11.942 11.069 -7.403 1.00 0.00 C ATOM 1520 O ARG A 100 12.144 12.024 -8.152 1.00 0.00 O ATOM 1521 CB ARG A 100 10.968 12.507 -5.626 1.00 0.00 C ATOM 1522 CG ARG A 100 12.240 12.842 -4.891 1.00 0.00 C ATOM 1523 CD ARG A 100 12.195 14.269 -4.420 1.00 0.00 C ATOM 1524 NE ARG A 100 13.395 14.672 -3.690 1.00 0.00 N ATOM 1525 CZ ARG A 100 13.863 15.925 -3.656 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.313 16.861 -4.427 1.00 0.00 N ATOM 1527 NH2 ARG A 100 14.891 16.236 -2.877 1.00 0.00 N ATOM 0 H ARG A 100 12.154 10.075 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 100 9.944 10.973 -6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.802 13.262 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.134 12.575 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.366 12.172 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.099 12.692 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.064 14.925 -5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.324 14.406 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 100 13.907 13.955 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.536 16.622 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.669 17.817 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.329 15.518 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.243 17.193 -2.855 1.00 0.00 H new ATOM 1541 N SER A 101 12.555 9.939 -7.514 1.00 0.00 N ATOM 1542 CA SER A 101 13.547 9.689 -8.516 1.00 0.00 C ATOM 1543 C SER A 101 12.899 9.266 -9.840 1.00 0.00 C ATOM 1544 O SER A 101 13.451 9.476 -10.923 1.00 0.00 O ATOM 1545 CB SER A 101 14.421 8.589 -7.994 1.00 0.00 C ATOM 1546 OG SER A 101 15.003 8.954 -6.753 1.00 0.00 O ATOM 0 H SER A 101 12.380 9.144 -6.900 1.00 0.00 H new ATOM 0 HA SER A 101 14.123 10.593 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.834 7.679 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.206 8.367 -8.718 1.00 0.00 H new ATOM 0 HG SER A 101 15.568 8.222 -6.429 1.00 0.00 H new ATOM 1552 N GLU A 102 11.743 8.676 -9.729 1.00 0.00 N ATOM 1553 CA GLU A 102 10.993 8.169 -10.869 1.00 0.00 C ATOM 1554 C GLU A 102 9.605 8.770 -10.864 1.00 0.00 C ATOM 1555 O GLU A 102 9.176 9.313 -9.853 1.00 0.00 O ATOM 1556 CB GLU A 102 10.950 6.637 -10.825 1.00 0.00 C ATOM 1557 CG GLU A 102 12.341 6.013 -10.828 1.00 0.00 C ATOM 1558 CD GLU A 102 12.338 4.517 -10.798 1.00 0.00 C ATOM 1559 OE1 GLU A 102 12.239 3.898 -11.870 1.00 0.00 O ATOM 1560 OE2 GLU A 102 12.502 3.927 -9.713 1.00 0.00 O ATOM 0 H GLU A 102 11.278 8.526 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 102 11.484 8.458 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.414 6.317 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.388 6.268 -11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.876 6.347 -11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.895 6.382 -9.965 1.00 0.00 H new ATOM 1567 N GLU A 103 8.960 8.748 -12.003 1.00 0.00 N ATOM 1568 CA GLU A 103 7.645 9.327 -12.165 1.00 0.00 C ATOM 1569 C GLU A 103 6.491 8.318 -12.065 1.00 0.00 C ATOM 1570 O GLU A 103 5.722 8.347 -11.120 1.00 0.00 O ATOM 1571 CB GLU A 103 7.537 10.174 -13.466 1.00 0.00 C ATOM 1572 CG GLU A 103 8.200 9.595 -14.727 1.00 0.00 C ATOM 1573 CD GLU A 103 9.691 9.838 -14.805 1.00 0.00 C ATOM 1574 OE1 GLU A 103 10.471 9.074 -14.206 1.00 0.00 O ATOM 1575 OE2 GLU A 103 10.097 10.797 -15.467 1.00 0.00 O ATOM 0 H GLU A 103 9.334 8.325 -12.853 1.00 0.00 H new ATOM 0 HA GLU A 103 7.530 9.993 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.480 10.334 -13.681 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.974 11.153 -13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.015 8.521 -14.762 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.725 10.029 -15.607 1.00 0.00 H new ATOM 1582 N VAL A 104 6.361 7.470 -13.050 1.00 0.00 N ATOM 1583 CA VAL A 104 5.270 6.528 -13.107 1.00 0.00 C ATOM 1584 C VAL A 104 5.712 5.087 -12.876 1.00 0.00 C ATOM 1585 O VAL A 104 6.643 4.583 -13.516 1.00 0.00 O ATOM 1586 CB VAL A 104 4.422 6.685 -14.410 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.273 6.752 -15.644 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.418 5.571 -14.543 1.00 0.00 C ATOM 0 H VAL A 104 7.007 7.411 -13.837 1.00 0.00 H new ATOM 0 HA VAL A 104 4.616 6.777 -12.272 1.00 0.00 H new ATOM 0 HB VAL A 104 3.894 7.634 -14.318 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.635 6.861 -16.521 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.945 7.607 -15.576 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.858 5.837 -15.733 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.843 5.707 -15.459 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.939 4.614 -14.580 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.744 5.584 -13.686 1.00 0.00 H new ATOM 1598 N VAL A 105 5.037 4.434 -11.958 1.00 0.00 N ATOM 1599 CA VAL A 105 5.346 3.077 -11.570 1.00 0.00 C ATOM 1600 C VAL A 105 4.077 2.211 -11.521 1.00 0.00 C ATOM 1601 O VAL A 105 2.974 2.711 -11.238 1.00 0.00 O ATOM 1602 CB VAL A 105 6.010 3.041 -10.171 1.00 0.00 C ATOM 1603 CG1 VAL A 105 7.388 3.699 -10.187 1.00 0.00 C ATOM 1604 CG2 VAL A 105 5.126 3.746 -9.175 1.00 0.00 C ATOM 0 H VAL A 105 4.247 4.836 -11.453 1.00 0.00 H new ATOM 0 HA VAL A 105 6.032 2.681 -12.319 1.00 0.00 H new ATOM 0 HB VAL A 105 6.138 1.997 -9.885 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.824 3.655 -9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.035 3.172 -10.889 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.291 4.740 -10.495 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.594 3.720 -8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.985 4.782 -9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.158 3.246 -9.130 1.00 0.00 H new ATOM 1614 N ARG A 106 4.229 0.932 -11.812 1.00 0.00 N ATOM 1615 CA ARG A 106 3.123 -0.018 -11.700 1.00 0.00 C ATOM 1616 C ARG A 106 3.269 -0.783 -10.405 1.00 0.00 C ATOM 1617 O ARG A 106 4.328 -1.374 -10.152 1.00 0.00 O ATOM 1618 CB ARG A 106 3.143 -1.015 -12.851 1.00 0.00 C ATOM 1619 CG ARG A 106 3.091 -0.384 -14.222 1.00 0.00 C ATOM 1620 CD ARG A 106 3.150 -1.441 -15.303 1.00 0.00 C ATOM 1621 NE ARG A 106 4.348 -2.284 -15.200 1.00 0.00 N ATOM 1622 CZ ARG A 106 4.471 -3.498 -15.752 1.00 0.00 C ATOM 1623 NH1 ARG A 106 3.482 -4.009 -16.460 1.00 0.00 N ATOM 1624 NH2 ARG A 106 5.585 -4.190 -15.605 1.00 0.00 N ATOM 0 H ARG A 106 5.107 0.521 -12.129 1.00 0.00 H new ATOM 0 HA ARG A 106 2.185 0.536 -11.727 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.047 -1.620 -12.776 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.296 -1.693 -12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.175 0.197 -14.325 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.923 0.310 -14.340 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.261 -2.069 -15.241 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.132 -0.958 -16.280 1.00 0.00 H new ATOM 0 HE ARG A 106 5.141 -1.920 -14.672 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.620 -3.479 -16.589 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.579 -4.934 -16.879 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.360 -3.801 -15.068 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.671 -5.114 -16.028 1.00 0.00 H new ATOM 1638 N LEU A 107 2.261 -0.769 -9.575 1.00 0.00 N ATOM 1639 CA LEU A 107 2.328 -1.465 -8.327 1.00 0.00 C ATOM 1640 C LEU A 107 1.219 -2.487 -8.339 1.00 0.00 C ATOM 1641 O LEU A 107 0.240 -2.319 -9.046 1.00 0.00 O ATOM 1642 CB LEU A 107 2.077 -0.491 -7.188 1.00 0.00 C ATOM 1643 CG LEU A 107 2.568 0.940 -7.393 1.00 0.00 C ATOM 1644 CD1 LEU A 107 2.009 1.835 -6.323 1.00 0.00 C ATOM 1645 CD2 LEU A 107 4.062 1.001 -7.389 1.00 0.00 C ATOM 0 H LEU A 107 1.382 -0.280 -9.745 1.00 0.00 H new ATOM 0 HA LEU A 107 3.305 -1.929 -8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.004 -0.459 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.549 -0.888 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 107 2.218 1.285 -8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.365 2.854 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.920 1.820 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.336 1.481 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.384 2.032 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.438 0.637 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.454 0.379 -8.194 1.00 0.00 H new ATOM 1657 N LEU A 108 1.376 -3.522 -7.608 1.00 0.00 N ATOM 1658 CA LEU A 108 0.378 -4.537 -7.496 1.00 0.00 C ATOM 1659 C LEU A 108 -0.064 -4.676 -6.081 1.00 0.00 C ATOM 1660 O LEU A 108 0.757 -4.890 -5.171 1.00 0.00 O ATOM 1661 CB LEU A 108 0.870 -5.860 -8.026 1.00 0.00 C ATOM 1662 CG LEU A 108 0.475 -6.204 -9.456 1.00 0.00 C ATOM 1663 CD1 LEU A 108 1.138 -5.272 -10.463 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.802 -7.646 -9.767 1.00 0.00 C ATOM 0 H LEU A 108 2.215 -3.701 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.474 -4.233 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.958 -5.872 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.502 -6.649 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.603 -6.066 -9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.832 -5.549 -11.472 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.836 -4.244 -10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.221 -5.355 -10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.512 -7.872 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.873 -7.810 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.257 -8.298 -9.084 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.338 -4.569 -5.891 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.917 -4.623 -4.565 1.00 0.00 C ATOM 1678 C VAL A 109 -2.883 -5.775 -4.465 1.00 0.00 C ATOM 1679 O VAL A 109 -3.475 -6.190 -5.480 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.608 -3.297 -4.133 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.643 -2.126 -4.191 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.849 -3.004 -4.945 1.00 0.00 C ATOM 0 H VAL A 109 -2.017 -4.441 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.088 -4.774 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.922 -3.434 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.157 -1.215 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.804 -2.313 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.275 -2.008 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.294 -2.069 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.582 -2.917 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.567 -3.815 -4.818 1.00 0.00 H new ATOM 1692 N THR A 110 -3.019 -6.320 -3.292 1.00 0.00 N ATOM 1693 CA THR A 110 -3.879 -7.436 -3.094 1.00 0.00 C ATOM 1694 C THR A 110 -5.066 -7.076 -2.188 1.00 0.00 C ATOM 1695 O THR A 110 -4.899 -6.523 -1.094 1.00 0.00 O ATOM 1696 CB THR A 110 -3.087 -8.646 -2.540 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.434 -8.296 -1.314 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.032 -9.089 -3.534 1.00 0.00 C ATOM 0 H THR A 110 -2.536 -6.001 -2.452 1.00 0.00 H new ATOM 0 HA THR A 110 -4.290 -7.720 -4.063 1.00 0.00 H new ATOM 0 HB THR A 110 -3.795 -9.456 -2.366 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.939 -9.071 -0.974 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.485 -9.940 -3.129 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.512 -9.378 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.340 -8.268 -3.720 1.00 0.00 H new ATOM 1706 N ARG A 111 -6.251 -7.390 -2.649 1.00 0.00 N ATOM 1707 CA ARG A 111 -7.461 -7.120 -1.921 1.00 0.00 C ATOM 1708 C ARG A 111 -7.826 -8.341 -1.136 1.00 0.00 C ATOM 1709 O ARG A 111 -8.343 -9.317 -1.693 1.00 0.00 O ATOM 1710 CB ARG A 111 -8.619 -6.725 -2.858 1.00 0.00 C ATOM 1711 CG ARG A 111 -8.439 -5.397 -3.594 1.00 0.00 C ATOM 1712 CD ARG A 111 -8.244 -4.243 -2.617 1.00 0.00 C ATOM 1713 NE ARG A 111 -9.312 -4.185 -1.601 1.00 0.00 N ATOM 1714 CZ ARG A 111 -9.144 -3.712 -0.358 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -8.053 -3.030 -0.037 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -10.114 -3.850 0.529 1.00 0.00 N ATOM 0 H ARG A 111 -6.402 -7.845 -3.549 1.00 0.00 H new ATOM 0 HA ARG A 111 -7.287 -6.275 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -8.753 -7.516 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -9.537 -6.676 -2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -7.578 -5.462 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.311 -5.204 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -7.279 -4.348 -2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -8.218 -3.303 -3.168 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.237 -4.527 -1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.332 -2.861 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.935 -2.674 0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -10.983 -4.314 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.993 -3.493 1.477 1.00 0.00 H new ATOM 1730 N GLN A 112 -7.510 -8.311 0.128 1.00 0.00 N ATOM 1731 CA GLN A 112 -7.743 -9.437 1.006 1.00 0.00 C ATOM 1732 C GLN A 112 -9.194 -9.426 1.438 1.00 0.00 C ATOM 1733 O GLN A 112 -9.827 -10.472 1.551 1.00 0.00 O ATOM 1734 CB GLN A 112 -6.816 -9.351 2.215 1.00 0.00 C ATOM 1735 CG GLN A 112 -5.339 -9.192 1.852 1.00 0.00 C ATOM 1736 CD GLN A 112 -4.794 -10.348 1.044 1.00 0.00 C ATOM 1737 OE1 GLN A 112 -4.315 -11.325 1.590 1.00 0.00 O ATOM 1738 NE2 GLN A 112 -4.829 -10.234 -0.245 1.00 0.00 N ATOM 0 H GLN A 112 -7.082 -7.506 0.585 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.533 -10.370 0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -7.121 -8.508 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.937 -10.251 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.208 -8.269 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.756 -9.091 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -5.237 -9.403 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.448 -10.975 -0.833 1.00 0.00 H new ATOM 1747 N SER A 113 -9.686 -8.215 1.690 1.00 0.00 N ATOM 1748 CA SER A 113 -11.079 -7.902 1.997 1.00 0.00 C ATOM 1749 C SER A 113 -11.692 -8.768 3.137 1.00 0.00 C ATOM 1750 O SER A 113 -12.912 -8.942 3.197 1.00 0.00 O ATOM 1751 CB SER A 113 -11.865 -8.036 0.706 1.00 0.00 C ATOM 1752 OG SER A 113 -11.230 -7.299 -0.346 1.00 0.00 O ATOM 0 H SER A 113 -9.094 -7.384 1.685 1.00 0.00 H new ATOM 0 HA SER A 113 -11.129 -6.885 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.941 -9.087 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.881 -7.670 0.852 1.00 0.00 H new ATOM 0 HG SER A 113 -11.748 -7.397 -1.172 1.00 0.00 H new ATOM 1758 N LEU A 114 -10.832 -9.240 4.044 1.00 0.00 N ATOM 1759 CA LEU A 114 -11.208 -10.085 5.196 1.00 0.00 C ATOM 1760 C LEU A 114 -12.126 -11.267 4.884 1.00 0.00 C ATOM 1761 O LEU A 114 -13.352 -11.147 4.887 1.00 0.00 O ATOM 1762 CB LEU A 114 -11.729 -9.275 6.388 1.00 0.00 C ATOM 1763 CG LEU A 114 -10.669 -8.650 7.294 1.00 0.00 C ATOM 1764 CD1 LEU A 114 -11.318 -7.753 8.329 1.00 0.00 C ATOM 1765 CD2 LEU A 114 -9.868 -9.743 7.992 1.00 0.00 C ATOM 0 H LEU A 114 -9.832 -9.045 4.003 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.259 -10.538 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -12.368 -8.478 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -12.358 -9.925 6.995 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.999 -8.050 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -10.549 -7.316 8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -11.868 -6.957 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.004 -8.340 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.115 -9.288 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.538 -10.356 8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -9.378 -10.368 7.245 1.00 0.00 H new ATOM 1777 N GLN A 115 -11.524 -12.388 4.599 1.00 0.00 N ATOM 1778 CA GLN A 115 -12.258 -13.618 4.405 1.00 0.00 C ATOM 1779 C GLN A 115 -12.219 -14.412 5.701 1.00 0.00 C ATOM 1780 O GLN A 115 -13.253 -14.663 6.317 1.00 0.00 O ATOM 1781 CB GLN A 115 -11.661 -14.416 3.237 1.00 0.00 C ATOM 1782 CG GLN A 115 -12.240 -15.820 3.018 1.00 0.00 C ATOM 1783 CD GLN A 115 -13.736 -15.836 2.774 1.00 0.00 C ATOM 1784 OE1 GLN A 115 -14.526 -15.967 3.702 1.00 0.00 O ATOM 1785 NE2 GLN A 115 -14.132 -15.683 1.545 1.00 0.00 N ATOM 0 H GLN A 115 -10.514 -12.480 4.494 1.00 0.00 H new ATOM 0 HA GLN A 115 -13.296 -13.403 4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.799 -13.841 2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -10.587 -14.508 3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -11.738 -16.281 2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.017 -16.434 3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.446 -15.577 0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.129 -15.669 1.328 1.00 0.00 H new ATOM 1794 N LYS A 116 -11.029 -14.764 6.130 1.00 0.00 N ATOM 1795 CA LYS A 116 -10.865 -15.492 7.351 1.00 0.00 C ATOM 1796 C LYS A 116 -9.694 -14.937 8.139 1.00 0.00 C ATOM 1797 O LYS A 116 -8.544 -14.960 7.672 1.00 0.00 O ATOM 1798 CB LYS A 116 -10.678 -16.978 7.043 1.00 0.00 C ATOM 1799 CG LYS A 116 -10.531 -17.876 8.258 1.00 0.00 C ATOM 1800 CD LYS A 116 -10.486 -19.325 7.827 1.00 0.00 C ATOM 1801 CE LYS A 116 -10.260 -20.262 8.992 1.00 0.00 C ATOM 1802 NZ LYS A 116 -10.282 -21.670 8.554 1.00 0.00 N ATOM 0 H LYS A 116 -10.159 -14.552 5.642 1.00 0.00 H new ATOM 0 HA LYS A 116 -11.759 -15.381 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.531 -17.322 6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.794 -17.094 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -9.621 -17.621 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.365 -17.717 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -11.422 -19.584 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.690 -19.460 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.302 -20.039 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.030 -20.101 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -9.587 -22.215 9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.232 -22.066 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.043 -21.723 7.543 1.00 0.00 H new ATOM 1816 N ALA A 117 -9.990 -14.384 9.285 1.00 0.00 N ATOM 1817 CA ALA A 117 -8.980 -13.884 10.178 1.00 0.00 C ATOM 1818 C ALA A 117 -8.656 -14.953 11.201 1.00 0.00 C ATOM 1819 O ALA A 117 -9.372 -15.962 11.291 1.00 0.00 O ATOM 1820 CB ALA A 117 -9.453 -12.611 10.868 1.00 0.00 C ATOM 0 H ALA A 117 -10.944 -14.267 9.627 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.083 -13.640 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.674 -12.250 11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.668 -11.849 10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.356 -12.822 11.441 1.00 0.00 H new ATOM 1826 N VAL A 118 -7.603 -14.726 11.970 1.00 0.00 N ATOM 1827 CA VAL A 118 -7.123 -15.663 12.979 1.00 0.00 C ATOM 1828 C VAL A 118 -6.767 -17.006 12.329 1.00 0.00 C ATOM 1829 O VAL A 118 -7.452 -18.027 12.480 1.00 0.00 O ATOM 1830 CB VAL A 118 -8.103 -15.841 14.180 1.00 0.00 C ATOM 1831 CG1 VAL A 118 -7.484 -16.709 15.260 1.00 0.00 C ATOM 1832 CG2 VAL A 118 -8.490 -14.489 14.760 1.00 0.00 C ATOM 0 H VAL A 118 -7.047 -13.873 11.911 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.220 -15.231 13.410 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.001 -16.336 13.809 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.187 -16.818 16.086 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.252 -17.691 14.849 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.568 -16.242 15.622 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.174 -14.634 15.596 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.595 -13.973 15.108 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.979 -13.890 13.992 1.00 0.00 H new ATOM 1842 N GLN A 119 -5.759 -16.954 11.527 1.00 0.00 N ATOM 1843 CA GLN A 119 -5.269 -18.097 10.823 1.00 0.00 C ATOM 1844 C GLN A 119 -3.755 -18.030 10.872 1.00 0.00 C ATOM 1845 O GLN A 119 -3.138 -17.194 10.201 1.00 0.00 O ATOM 1846 CB GLN A 119 -5.796 -18.053 9.385 1.00 0.00 C ATOM 1847 CG GLN A 119 -5.445 -19.248 8.523 1.00 0.00 C ATOM 1848 CD GLN A 119 -6.022 -19.121 7.124 1.00 0.00 C ATOM 1849 OE1 GLN A 119 -7.071 -18.516 6.923 1.00 0.00 O ATOM 1850 NE2 GLN A 119 -5.342 -19.660 6.155 1.00 0.00 N ATOM 0 H GLN A 119 -5.239 -16.098 11.336 1.00 0.00 H new ATOM 0 HA GLN A 119 -5.604 -19.034 11.267 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -6.881 -17.957 9.417 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.411 -17.154 8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.361 -19.347 8.462 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.822 -20.157 8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.474 -20.156 6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.677 -19.586 5.194 1.00 0.00 H new ATOM 1859 N GLN A 120 -3.167 -18.824 11.725 1.00 0.00 N ATOM 1860 CA GLN A 120 -1.738 -18.786 11.951 1.00 0.00 C ATOM 1861 C GLN A 120 -1.083 -20.084 11.520 1.00 0.00 C ATOM 1862 O GLN A 120 -1.337 -21.145 12.107 1.00 0.00 O ATOM 1863 CB GLN A 120 -1.455 -18.487 13.430 1.00 0.00 C ATOM 1864 CG GLN A 120 0.016 -18.473 13.822 1.00 0.00 C ATOM 1865 CD GLN A 120 0.249 -18.117 15.287 1.00 0.00 C ATOM 1866 OE1 GLN A 120 -0.581 -17.263 15.841 1.00 0.00 O flip ATOM 1867 NE2 GLN A 120 1.198 -18.585 15.907 1.00 0.00 N flip ATOM 0 H GLN A 120 -3.661 -19.518 12.286 1.00 0.00 H new ATOM 0 HA GLN A 120 -1.308 -17.989 11.345 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -1.889 -17.518 13.677 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -1.969 -19.231 14.039 1.00 0.00 H new ATOM 0 HG2 GLN A 120 0.447 -19.454 13.621 1.00 0.00 H new ATOM 0 HG3 GLN A 120 0.545 -17.757 13.193 1.00 0.00 H new ATOM 0 HE21 GLN A 120 1.828 -19.247 15.453 1.00 0.00 H new ATOM 0 HE22 GLN A 120 1.358 -18.313 16.877 1.00 0.00 H new ATOM 1876 N SER A 121 -0.300 -19.991 10.443 1.00 0.00 N ATOM 1877 CA SER A 121 0.493 -21.095 9.895 1.00 0.00 C ATOM 1878 C SER A 121 -0.379 -22.268 9.421 1.00 0.00 C ATOM 1879 O SER A 121 0.095 -23.399 9.251 1.00 0.00 O ATOM 1880 CB SER A 121 1.538 -21.532 10.921 1.00 0.00 C ATOM 1881 OG SER A 121 2.355 -20.418 11.273 1.00 0.00 O ATOM 0 H SER A 121 -0.197 -19.125 9.914 1.00 0.00 H new ATOM 0 HA SER A 121 1.007 -20.737 9.003 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.047 -21.931 11.809 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.154 -22.332 10.510 1.00 0.00 H new ATOM 0 HG SER A 121 3.024 -20.698 11.932 1.00 0.00 H new ATOM 1887 N MET A 122 -1.617 -21.980 9.129 1.00 0.00 N ATOM 1888 CA MET A 122 -2.550 -22.978 8.683 1.00 0.00 C ATOM 1889 C MET A 122 -3.185 -22.504 7.404 1.00 0.00 C ATOM 1890 O MET A 122 -3.452 -21.316 7.261 1.00 0.00 O ATOM 1891 CB MET A 122 -3.627 -23.239 9.758 1.00 0.00 C ATOM 1892 CG MET A 122 -4.670 -24.291 9.364 1.00 0.00 C ATOM 1893 SD MET A 122 -5.929 -24.572 10.632 1.00 0.00 S ATOM 1894 CE MET A 122 -4.934 -25.236 11.970 1.00 0.00 C ATOM 0 H MET A 122 -2.010 -21.041 9.194 1.00 0.00 H new ATOM 0 HA MET A 122 -2.024 -23.917 8.508 1.00 0.00 H new ATOM 0 HB2 MET A 122 -3.136 -23.558 10.677 1.00 0.00 H new ATOM 0 HB3 MET A 122 -4.138 -22.302 9.978 1.00 0.00 H new ATOM 0 HG2 MET A 122 -5.159 -23.978 8.441 1.00 0.00 H new ATOM 0 HG3 MET A 122 -4.163 -25.232 9.153 1.00 0.00 H new ATOM 0 HE1 MET A 122 -5.583 -25.717 12.702 1.00 0.00 H new ATOM 0 HE2 MET A 122 -4.231 -25.968 11.572 1.00 0.00 H new ATOM 0 HE3 MET A 122 -4.383 -24.427 12.450 1.00 0.00 H new ATOM 1904 N LEU A 123 -3.389 -23.397 6.473 1.00 0.00 N ATOM 1905 CA LEU A 123 -4.042 -23.045 5.236 1.00 0.00 C ATOM 1906 C LEU A 123 -5.534 -23.252 5.360 1.00 0.00 C ATOM 1907 O LEU A 123 -6.004 -23.924 6.289 1.00 0.00 O ATOM 1908 CB LEU A 123 -3.472 -23.830 4.051 1.00 0.00 C ATOM 1909 CG LEU A 123 -2.034 -23.495 3.648 1.00 0.00 C ATOM 1910 CD1 LEU A 123 -1.579 -24.379 2.502 1.00 0.00 C ATOM 1911 CD2 LEU A 123 -1.919 -22.031 3.255 1.00 0.00 C ATOM 0 H LEU A 123 -3.113 -24.376 6.546 1.00 0.00 H new ATOM 0 HA LEU A 123 -3.850 -21.990 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -3.523 -24.893 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -4.117 -23.664 3.188 1.00 0.00 H new ATOM 0 HG LEU A 123 -1.389 -23.680 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -0.554 -24.125 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -1.625 -25.424 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -2.231 -24.224 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -0.890 -21.810 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -2.579 -21.828 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -2.205 -21.404 4.099 1.00 0.00 H new ATOM 1923 N SER A 124 -6.276 -22.681 4.457 1.00 0.00 N ATOM 1924 CA SER A 124 -7.693 -22.765 4.492 1.00 0.00 C ATOM 1925 C SER A 124 -8.190 -22.575 3.061 1.00 0.00 C ATOM 1926 O SER A 124 -8.447 -21.423 2.652 1.00 0.00 O ATOM 1927 CB SER A 124 -8.236 -21.676 5.458 1.00 0.00 C ATOM 1928 OG SER A 124 -9.607 -21.856 5.781 1.00 0.00 O ATOM 1929 OXT SER A 124 -8.235 -23.575 2.304 1.00 0.00 O ATOM 0 H SER A 124 -5.906 -22.142 3.674 1.00 0.00 H new ATOM 0 HA SER A 124 -8.045 -23.728 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 124 -7.648 -21.686 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.101 -20.695 5.003 1.00 0.00 H new ATOM 0 HG SER A 124 -10.142 -21.832 4.960 1.00 0.00 H new TER 1935 SER A 124