USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=38 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 89 THR OG1 : rot -130:sc= 0.335 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.891 K(o=1.2,f=0.69) USER MOD Set 2.1: A 76 LYS NZ :NH3+ 170:sc= 1.88 (180deg=1.87) USER MOD Set 2.2: A 78 MET CE :methyl 178:sc= -4.98! (180deg=-4.98!) USER MOD Set 2.3: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 GLN : amide:sc= -0.192 K(o=-1.5,f=-4.9!) USER MOD Set 3.2: A 112 GLN : amide:sc= -1.34! X(o=-1.5!,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 42:sc= -0.505 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.2 F(o=-4.8!,f=-1.2) USER MOD Single : A 19 HIS :FLIP no HD1:sc=-0.00914 F(o=-0.7,f=-0.0091) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.771) USER MOD Single : A 23 GLN : amide:sc= -4.07! C(o=-4.1!,f=-7!) USER MOD Single : A 26 ASN : amide:sc= 1.1 K(o=1.1,f=-0.093) USER MOD Single : A 32 SER OG : rot -60:sc= 0.887 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.75 F(o=-4.7!,f=-2.8) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.57 F(o=-2.8!,f=-1.6) USER MOD Single : A 44 ASN : amide:sc= -3.18! C(o=-3.2!,f=-5.6!) USER MOD Single : A 47 SER OG : rot 0:sc= 0.00881 USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 1.16 (180deg=1.14) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0.0149 (180deg=-0.272) USER MOD Single : A 56 TYR OH : rot -15:sc= -0.339 USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.0527 USER MOD Single : A 61 SER OG : rot 110:sc= -1.89! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0466 F(o=-0.58,f=-0.047) USER MOD Single : A 79 GLN :FLIP amide:sc= -3.33! C(o=-5.8!,f=-3.3!) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.738 F(o=-2.6,f=-0.74) USER MOD Single : A 85 MET CE :methyl -166:sc= -4.41 (180deg=-5.49!) USER MOD Single : A 87 MET CE :methyl 161:sc= -0.0779 (180deg=-0.524) USER MOD Single : A 90 HIS : no HD1:sc= -0.979 K(o=-0.98,f=-3.3) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -35:sc= 0.512 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.15) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -24:sc= 0.504 USER MOD Single : A 115 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 166:sc=-0.00258 (180deg=-0.173) USER MOD Single : A 119 GLN :FLIP amide:sc=-0.00445 F(o=-1,f=-0.0045) USER MOD Single : A 120 GLN : amide:sc= -1.02 K(o=-1,f=-3.3) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 167:sc= 0 (180deg=-0.116) USER MOD Single : A 124 SER OG : rot 180:sc= -0.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.018 -19.786 -8.250 1.00 0.00 N ATOM 2 CA GLY A 1 -2.428 -19.973 -8.573 1.00 0.00 C ATOM 3 C GLY A 1 -2.593 -20.810 -9.815 1.00 0.00 C ATOM 4 O GLY A 1 -1.605 -21.194 -10.436 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.816 -20.207 -7.321 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.432 -20.248 -8.974 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.800 -18.770 -8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.935 -20.454 -7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.903 -19.003 -8.719 1.00 0.00 H new ATOM 10 N SER A 2 -3.831 -21.110 -10.176 1.00 0.00 N ATOM 11 CA SER A 2 -4.120 -21.938 -11.353 1.00 0.00 C ATOM 12 C SER A 2 -4.022 -21.100 -12.640 1.00 0.00 C ATOM 13 O SER A 2 -3.711 -21.596 -13.722 1.00 0.00 O ATOM 14 CB SER A 2 -5.533 -22.485 -11.218 1.00 0.00 C ATOM 15 OG SER A 2 -5.751 -23.036 -9.921 1.00 0.00 O ATOM 0 H SER A 2 -4.660 -20.794 -9.673 1.00 0.00 H new ATOM 0 HA SER A 2 -3.395 -22.750 -11.412 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.253 -21.688 -11.403 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.703 -23.251 -11.975 1.00 0.00 H new ATOM 0 HG SER A 2 -6.667 -23.379 -9.861 1.00 0.00 H new ATOM 21 N TYR A 3 -4.276 -19.843 -12.487 1.00 0.00 N ATOM 22 CA TYR A 3 -4.299 -18.877 -13.563 1.00 0.00 C ATOM 23 C TYR A 3 -3.074 -17.958 -13.417 1.00 0.00 C ATOM 24 O TYR A 3 -2.090 -18.364 -12.785 1.00 0.00 O ATOM 25 CB TYR A 3 -5.642 -18.119 -13.484 1.00 0.00 C ATOM 26 CG TYR A 3 -6.036 -17.783 -12.063 1.00 0.00 C ATOM 27 CD1 TYR A 3 -5.323 -16.871 -11.354 1.00 0.00 C ATOM 28 CD2 TYR A 3 -7.082 -18.432 -11.427 1.00 0.00 C ATOM 29 CE1 TYR A 3 -5.602 -16.569 -10.063 1.00 0.00 C ATOM 30 CE2 TYR A 3 -7.384 -18.155 -10.114 1.00 0.00 C ATOM 31 CZ TYR A 3 -6.639 -17.218 -9.434 1.00 0.00 C ATOM 32 OH TYR A 3 -6.912 -16.965 -8.126 1.00 0.00 O ATOM 0 H TYR A 3 -4.483 -19.432 -11.577 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.235 -19.342 -14.547 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.571 -17.199 -14.065 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.425 -18.725 -13.941 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.500 -16.366 -11.838 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.666 -19.162 -11.967 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.018 -15.829 -9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.197 -18.667 -9.622 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.847 -16.002 -7.959 1.00 0.00 H new ATOM 42 N ILE A 4 -3.106 -16.763 -13.995 1.00 0.00 N ATOM 43 CA ILE A 4 -1.969 -15.849 -13.883 1.00 0.00 C ATOM 44 C ILE A 4 -1.760 -15.385 -12.406 1.00 0.00 C ATOM 45 O ILE A 4 -0.688 -15.623 -11.852 1.00 0.00 O ATOM 46 CB ILE A 4 -2.043 -14.639 -14.887 1.00 0.00 C ATOM 47 CG1 ILE A 4 -2.082 -15.135 -16.353 1.00 0.00 C ATOM 48 CG2 ILE A 4 -0.885 -13.662 -14.678 1.00 0.00 C ATOM 49 CD1 ILE A 4 -0.875 -15.951 -16.783 1.00 0.00 C ATOM 0 H ILE A 4 -3.892 -16.406 -14.538 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.085 -16.414 -14.179 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.970 -14.103 -14.682 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.979 -15.738 -16.494 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.172 -14.271 -17.012 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.970 -12.840 -15.389 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.920 -13.268 -13.662 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.061 -14.180 -14.834 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.992 -16.254 -17.824 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.027 -15.348 -16.680 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.793 -16.838 -16.154 1.00 0.00 H new ATOM 61 N PRO A 5 -2.750 -14.688 -11.752 1.00 0.00 N ATOM 62 CA PRO A 5 -2.655 -14.384 -10.324 1.00 0.00 C ATOM 63 C PRO A 5 -2.595 -15.598 -9.377 1.00 0.00 C ATOM 64 O PRO A 5 -2.674 -16.764 -9.788 1.00 0.00 O ATOM 65 CB PRO A 5 -3.867 -13.498 -10.011 1.00 0.00 C ATOM 66 CG PRO A 5 -4.731 -13.497 -11.221 1.00 0.00 C ATOM 67 CD PRO A 5 -3.923 -14.030 -12.368 1.00 0.00 C ATOM 0 HA PRO A 5 -1.699 -13.894 -10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.412 -13.882 -9.149 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.550 -12.485 -9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.615 -14.114 -11.059 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.082 -12.488 -11.438 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.503 -14.737 -12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.616 -13.227 -13.038 1.00 0.00 H new ATOM 75 N GLY A 6 -2.414 -15.296 -8.121 1.00 0.00 N ATOM 76 CA GLY A 6 -2.419 -16.293 -7.076 1.00 0.00 C ATOM 77 C GLY A 6 -3.378 -15.884 -5.988 1.00 0.00 C ATOM 78 O GLY A 6 -3.362 -16.408 -4.878 1.00 0.00 O ATOM 0 H GLY A 6 -2.257 -14.345 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.709 -17.261 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -1.416 -16.408 -6.665 1.00 0.00 H new ATOM 82 N GLN A 7 -4.209 -14.930 -6.323 1.00 0.00 N ATOM 83 CA GLN A 7 -5.195 -14.385 -5.433 1.00 0.00 C ATOM 84 C GLN A 7 -6.514 -14.585 -6.176 1.00 0.00 C ATOM 85 O GLN A 7 -6.540 -14.396 -7.398 1.00 0.00 O ATOM 86 CB GLN A 7 -4.885 -12.899 -5.242 1.00 0.00 C ATOM 87 CG GLN A 7 -5.491 -12.234 -4.015 1.00 0.00 C ATOM 88 CD GLN A 7 -4.993 -12.788 -2.683 1.00 0.00 C ATOM 89 OE1 GLN A 7 -5.709 -12.760 -1.698 1.00 0.00 O ATOM 90 NE2 GLN A 7 -3.780 -13.281 -2.637 1.00 0.00 N ATOM 0 H GLN A 7 -4.216 -14.501 -7.248 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.221 -14.848 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.803 -12.779 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.228 -12.362 -6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.276 -11.166 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.575 -12.343 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.202 -13.292 -3.477 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.414 -13.654 -1.761 1.00 0.00 H new ATOM 99 N PRO A 8 -7.590 -15.003 -5.505 1.00 0.00 N ATOM 100 CA PRO A 8 -8.819 -15.427 -6.175 1.00 0.00 C ATOM 101 C PRO A 8 -9.801 -14.300 -6.605 1.00 0.00 C ATOM 102 O PRO A 8 -9.560 -13.588 -7.577 1.00 0.00 O ATOM 103 CB PRO A 8 -9.439 -16.364 -5.141 1.00 0.00 C ATOM 104 CG PRO A 8 -9.048 -15.759 -3.826 1.00 0.00 C ATOM 105 CD PRO A 8 -7.711 -15.091 -4.046 1.00 0.00 C ATOM 0 HA PRO A 8 -8.597 -15.878 -7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.522 -16.418 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.057 -17.380 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.793 -15.036 -3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.978 -16.523 -3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.677 -14.105 -3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.898 -15.674 -3.613 1.00 0.00 H new ATOM 113 N VAL A 9 -10.891 -14.153 -5.863 1.00 0.00 N ATOM 114 CA VAL A 9 -11.962 -13.210 -6.213 1.00 0.00 C ATOM 115 C VAL A 9 -12.426 -12.387 -5.025 1.00 0.00 C ATOM 116 O VAL A 9 -12.795 -11.228 -5.172 1.00 0.00 O ATOM 117 CB VAL A 9 -13.192 -13.919 -6.839 1.00 0.00 C ATOM 118 CG1 VAL A 9 -12.924 -14.318 -8.284 1.00 0.00 C ATOM 119 CG2 VAL A 9 -13.572 -15.154 -6.036 1.00 0.00 C ATOM 0 H VAL A 9 -11.064 -14.677 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.519 -12.543 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.019 -13.209 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.805 -14.812 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.701 -13.428 -8.872 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.075 -15.000 -8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.437 -15.634 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.734 -15.851 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.817 -14.863 -5.015 1.00 0.00 H new ATOM 129 N THR A 10 -12.408 -12.998 -3.854 1.00 0.00 N ATOM 130 CA THR A 10 -12.802 -12.334 -2.617 1.00 0.00 C ATOM 131 C THR A 10 -11.688 -11.360 -2.213 1.00 0.00 C ATOM 132 O THR A 10 -11.859 -10.450 -1.403 1.00 0.00 O ATOM 133 CB THR A 10 -13.070 -13.396 -1.514 1.00 0.00 C ATOM 134 OG1 THR A 10 -13.628 -12.796 -0.339 1.00 0.00 O ATOM 135 CG2 THR A 10 -11.796 -14.164 -1.158 1.00 0.00 C ATOM 0 H THR A 10 -12.120 -13.969 -3.730 1.00 0.00 H new ATOM 0 HA THR A 10 -13.724 -11.770 -2.757 1.00 0.00 H new ATOM 0 HB THR A 10 -13.795 -14.102 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.788 -13.487 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.018 -14.899 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.419 -14.674 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.042 -13.468 -0.791 1.00 0.00 H new ATOM 143 N ALA A 11 -10.556 -11.605 -2.792 1.00 0.00 N ATOM 144 CA ALA A 11 -9.429 -10.798 -2.728 1.00 0.00 C ATOM 145 C ALA A 11 -8.811 -10.983 -4.048 1.00 0.00 C ATOM 146 O ALA A 11 -8.816 -12.096 -4.566 1.00 0.00 O ATOM 147 CB ALA A 11 -8.498 -11.278 -1.682 1.00 0.00 C ATOM 0 H ALA A 11 -10.408 -12.441 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.667 -9.762 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.622 -10.630 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.998 -11.260 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.187 -12.297 -1.911 1.00 0.00 H new ATOM 153 N VAL A 12 -8.333 -9.959 -4.608 1.00 0.00 N ATOM 154 CA VAL A 12 -7.769 -10.048 -5.912 1.00 0.00 C ATOM 155 C VAL A 12 -6.497 -9.246 -5.946 1.00 0.00 C ATOM 156 O VAL A 12 -6.367 -8.250 -5.206 1.00 0.00 O ATOM 157 CB VAL A 12 -8.787 -9.553 -7.005 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.151 -8.078 -6.829 1.00 0.00 C ATOM 159 CG2 VAL A 12 -8.284 -9.833 -8.420 1.00 0.00 C ATOM 0 H VAL A 12 -8.313 -9.028 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.543 -11.090 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.700 -10.130 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.856 -7.782 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.607 -7.930 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.250 -7.469 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.016 -9.476 -9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.337 -9.318 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.140 -10.906 -8.549 1.00 0.00 H new ATOM 169 N VAL A 13 -5.540 -9.705 -6.704 1.00 0.00 N ATOM 170 CA VAL A 13 -4.353 -8.956 -6.890 1.00 0.00 C ATOM 171 C VAL A 13 -4.545 -8.130 -8.140 1.00 0.00 C ATOM 172 O VAL A 13 -4.933 -8.644 -9.200 1.00 0.00 O ATOM 173 CB VAL A 13 -3.062 -9.829 -6.952 1.00 0.00 C ATOM 174 CG1 VAL A 13 -3.030 -10.752 -8.146 1.00 0.00 C ATOM 175 CG2 VAL A 13 -1.808 -8.971 -6.874 1.00 0.00 C ATOM 0 H VAL A 13 -5.570 -10.597 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.191 -8.317 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.084 -10.473 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.107 -11.332 -8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.884 -11.428 -8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.075 -10.163 -9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.926 -9.610 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.793 -8.272 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.805 -8.415 -5.936 1.00 0.00 H new ATOM 185 N GLN A 14 -4.347 -6.881 -8.009 1.00 0.00 N ATOM 186 CA GLN A 14 -4.611 -5.973 -9.080 1.00 0.00 C ATOM 187 C GLN A 14 -3.427 -5.067 -9.290 1.00 0.00 C ATOM 188 O GLN A 14 -2.640 -4.827 -8.349 1.00 0.00 O ATOM 189 CB GLN A 14 -5.920 -5.199 -8.788 1.00 0.00 C ATOM 190 CG GLN A 14 -5.913 -4.383 -7.497 1.00 0.00 C ATOM 191 CD GLN A 14 -5.605 -2.915 -7.714 1.00 0.00 C ATOM 192 OE1 GLN A 14 -4.363 -2.565 -7.759 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -6.496 -2.112 -7.882 1.00 0.00 N flip ATOM 0 H GLN A 14 -3.996 -6.443 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.758 -6.517 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.122 -4.528 -9.623 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.744 -5.911 -8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.885 -4.475 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.175 -4.804 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.469 -2.414 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.273 -1.133 -8.064 1.00 0.00 H new ATOM 202 N ARG A 15 -3.289 -4.571 -10.481 1.00 0.00 N ATOM 203 CA ARG A 15 -2.203 -3.714 -10.818 1.00 0.00 C ATOM 204 C ARG A 15 -2.671 -2.292 -10.715 1.00 0.00 C ATOM 205 O ARG A 15 -3.837 -1.996 -10.976 1.00 0.00 O ATOM 206 CB ARG A 15 -1.622 -4.049 -12.235 1.00 0.00 C ATOM 207 CG ARG A 15 -2.536 -3.788 -13.455 1.00 0.00 C ATOM 208 CD ARG A 15 -2.581 -2.308 -13.836 1.00 0.00 C ATOM 209 NE ARG A 15 -3.452 -2.030 -14.975 1.00 0.00 N ATOM 210 CZ ARG A 15 -4.182 -0.911 -15.109 1.00 0.00 C ATOM 211 NH1 ARG A 15 -4.344 -0.089 -14.078 1.00 0.00 N ATOM 212 NH2 ARG A 15 -4.799 -0.651 -16.249 1.00 0.00 N ATOM 0 H ARG A 15 -3.934 -4.753 -11.250 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.381 -3.868 -10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.707 -3.472 -12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.340 -5.102 -12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.180 -4.370 -14.305 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.545 -4.135 -13.232 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.922 -1.729 -12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.571 -1.969 -14.068 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.509 -2.730 -15.715 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.913 -0.307 -13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.899 0.760 -14.185 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.721 -1.302 -17.031 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.353 0.200 -16.347 1.00 0.00 H new ATOM 226 N VAL A 16 -1.814 -1.442 -10.314 1.00 0.00 N ATOM 227 CA VAL A 16 -2.132 -0.072 -10.224 1.00 0.00 C ATOM 228 C VAL A 16 -1.025 0.736 -10.826 1.00 0.00 C ATOM 229 O VAL A 16 0.127 0.311 -10.806 1.00 0.00 O ATOM 230 CB VAL A 16 -2.422 0.318 -8.772 1.00 0.00 C ATOM 231 CG1 VAL A 16 -1.214 0.283 -7.885 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.225 1.580 -8.658 1.00 0.00 C ATOM 0 H VAL A 16 -0.861 -1.676 -10.035 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.041 0.136 -10.789 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.065 -0.470 -8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.497 0.571 -6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.800 -0.725 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.464 0.978 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.400 1.806 -7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.678 2.402 -9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.181 1.450 -9.165 1.00 0.00 H new ATOM 242 N GLU A 17 -1.359 1.860 -11.385 1.00 0.00 N ATOM 243 CA GLU A 17 -0.381 2.645 -12.071 1.00 0.00 C ATOM 244 C GLU A 17 -0.462 4.091 -11.669 1.00 0.00 C ATOM 245 O GLU A 17 -1.362 4.835 -12.095 1.00 0.00 O ATOM 246 CB GLU A 17 -0.500 2.455 -13.584 1.00 0.00 C ATOM 247 CG GLU A 17 0.526 3.221 -14.387 1.00 0.00 C ATOM 248 CD GLU A 17 0.527 2.827 -15.852 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.627 1.609 -16.151 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.518 3.706 -16.732 1.00 0.00 O ATOM 0 H GLU A 17 -2.300 2.253 -11.379 1.00 0.00 H new ATOM 0 HA GLU A 17 0.609 2.295 -11.778 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.406 1.394 -13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.497 2.763 -13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.327 4.289 -14.301 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.516 3.047 -13.966 1.00 0.00 H new ATOM 257 N ILE A 18 0.455 4.476 -10.845 1.00 0.00 N ATOM 258 CA ILE A 18 0.526 5.823 -10.366 1.00 0.00 C ATOM 259 C ILE A 18 1.418 6.626 -11.263 1.00 0.00 C ATOM 260 O ILE A 18 2.541 6.215 -11.552 1.00 0.00 O ATOM 261 CB ILE A 18 1.005 5.940 -8.870 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.136 5.701 -7.869 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.664 7.278 -8.585 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.594 4.281 -7.711 1.00 0.00 C ATOM 0 H ILE A 18 1.184 3.862 -10.480 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.490 6.218 -10.386 1.00 0.00 H new ATOM 0 HB ILE A 18 1.746 5.152 -8.736 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.182 6.069 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.991 6.304 -8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.978 7.314 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.534 7.400 -9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.954 8.082 -8.778 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.401 4.238 -6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.953 3.906 -8.669 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.238 3.666 -7.369 1.00 0.00 H new ATOM 276 N HIS A 19 0.896 7.727 -11.733 1.00 0.00 N ATOM 277 CA HIS A 19 1.645 8.645 -12.548 1.00 0.00 C ATOM 278 C HIS A 19 2.189 9.746 -11.654 1.00 0.00 C ATOM 279 O HIS A 19 1.571 10.078 -10.637 1.00 0.00 O ATOM 280 CB HIS A 19 0.758 9.290 -13.615 1.00 0.00 C ATOM 281 CG HIS A 19 0.099 8.380 -14.599 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.285 7.073 -14.852 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.900 8.791 -15.445 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.603 6.670 -15.847 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -1.292 7.750 -16.165 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.067 8.014 -11.560 1.00 0.00 H new ATOM 0 HA HIS A 19 2.447 8.096 -13.043 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.021 9.859 -13.107 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.364 10.005 -14.171 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.299 9.792 -15.513 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.706 5.681 -16.269 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.028 7.779 -16.871 1.00 0.00 H new ATOM 293 N LYS A 20 3.323 10.295 -12.043 1.00 0.00 N ATOM 294 CA LYS A 20 4.011 11.384 -11.328 1.00 0.00 C ATOM 295 C LYS A 20 3.095 12.516 -10.822 1.00 0.00 C ATOM 296 O LYS A 20 2.363 13.154 -11.594 1.00 0.00 O ATOM 297 CB LYS A 20 5.119 11.955 -12.213 1.00 0.00 C ATOM 298 CG LYS A 20 4.695 12.322 -13.633 1.00 0.00 C ATOM 299 CD LYS A 20 5.855 12.918 -14.413 1.00 0.00 C ATOM 300 CE LYS A 20 5.481 13.232 -15.852 1.00 0.00 C ATOM 301 NZ LYS A 20 5.106 12.025 -16.617 1.00 0.00 N ATOM 0 H LYS A 20 3.815 9.997 -12.886 1.00 0.00 H new ATOM 0 HA LYS A 20 4.423 10.932 -10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.524 12.845 -11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.928 11.227 -12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.325 11.434 -14.146 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.872 13.036 -13.597 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.191 13.830 -13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.694 12.222 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.650 13.937 -15.862 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.321 13.723 -16.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.140 12.235 -17.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.771 11.256 -16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.142 11.734 -16.356 1.00 0.00 H new ATOM 315 N LEU A 21 3.125 12.737 -9.524 1.00 0.00 N ATOM 316 CA LEU A 21 2.376 13.801 -8.906 1.00 0.00 C ATOM 317 C LEU A 21 3.302 14.730 -8.139 1.00 0.00 C ATOM 318 O LEU A 21 4.045 14.300 -7.269 1.00 0.00 O ATOM 319 CB LEU A 21 1.337 13.245 -7.938 1.00 0.00 C ATOM 320 CG LEU A 21 0.557 14.306 -7.154 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.345 15.110 -8.077 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.236 13.694 -6.024 1.00 0.00 C ATOM 0 H LEU A 21 3.673 12.179 -8.869 1.00 0.00 H new ATOM 0 HA LEU A 21 1.874 14.352 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.629 12.634 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.837 12.585 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 21 1.285 14.986 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.887 15.856 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.261 15.609 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.056 14.442 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.775 14.478 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.948 12.974 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.442 13.188 -5.336 1.00 0.00 H new ATOM 334 N ARG A 22 3.265 15.987 -8.459 1.00 0.00 N ATOM 335 CA ARG A 22 4.039 16.964 -7.728 1.00 0.00 C ATOM 336 C ARG A 22 3.261 17.407 -6.504 1.00 0.00 C ATOM 337 O ARG A 22 2.082 17.769 -6.614 1.00 0.00 O ATOM 338 CB ARG A 22 4.388 18.179 -8.597 1.00 0.00 C ATOM 339 CG ARG A 22 5.342 17.902 -9.752 1.00 0.00 C ATOM 340 CD ARG A 22 5.624 19.172 -10.551 1.00 0.00 C ATOM 341 NE ARG A 22 6.623 18.965 -11.614 1.00 0.00 N ATOM 342 CZ ARG A 22 7.039 19.913 -12.477 1.00 0.00 C ATOM 343 NH1 ARG A 22 6.523 21.139 -12.427 1.00 0.00 N ATOM 344 NH2 ARG A 22 7.986 19.637 -13.370 1.00 0.00 N ATOM 0 H ARG A 22 2.708 16.369 -9.223 1.00 0.00 H new ATOM 0 HA ARG A 22 4.977 16.498 -7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.464 18.593 -9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.828 18.946 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.277 17.497 -9.366 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.913 17.144 -10.408 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.696 19.530 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.975 19.951 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 22 7.030 18.034 -11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.810 21.364 -11.734 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.841 21.853 -13.082 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.400 18.705 -13.403 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.298 20.357 -14.021 1.00 0.00 H new ATOM 358 N GLN A 23 3.879 17.323 -5.351 1.00 0.00 N ATOM 359 CA GLN A 23 3.282 17.794 -4.133 1.00 0.00 C ATOM 360 C GLN A 23 4.281 18.692 -3.496 1.00 0.00 C ATOM 361 O GLN A 23 5.352 18.234 -3.109 1.00 0.00 O ATOM 362 CB GLN A 23 2.941 16.647 -3.183 1.00 0.00 C ATOM 363 CG GLN A 23 1.946 15.636 -3.731 1.00 0.00 C ATOM 364 CD GLN A 23 1.499 14.600 -2.703 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.207 13.465 -3.047 1.00 0.00 O ATOM 366 NE2 GLN A 23 1.409 14.986 -1.445 1.00 0.00 N ATOM 0 H GLN A 23 4.811 16.925 -5.235 1.00 0.00 H new ATOM 0 HA GLN A 23 2.346 18.308 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.861 16.125 -2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.540 17.066 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.070 16.166 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.394 15.122 -4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.659 15.940 -1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.089 14.330 -0.732 1.00 0.00 H new ATOM 375 N GLY A 24 3.978 19.955 -3.461 1.00 0.00 N ATOM 376 CA GLY A 24 4.890 20.930 -2.929 1.00 0.00 C ATOM 377 C GLY A 24 6.052 21.087 -3.867 1.00 0.00 C ATOM 378 O GLY A 24 5.906 21.658 -4.940 1.00 0.00 O ATOM 0 H GLY A 24 3.096 20.340 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.383 21.886 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.241 20.618 -1.946 1.00 0.00 H new ATOM 382 N GLU A 25 7.183 20.555 -3.497 1.00 0.00 N ATOM 383 CA GLU A 25 8.345 20.549 -4.372 1.00 0.00 C ATOM 384 C GLU A 25 8.822 19.141 -4.600 1.00 0.00 C ATOM 385 O GLU A 25 9.940 18.921 -5.072 1.00 0.00 O ATOM 386 CB GLU A 25 9.483 21.360 -3.796 1.00 0.00 C ATOM 387 CG GLU A 25 9.241 22.840 -3.730 1.00 0.00 C ATOM 388 CD GLU A 25 10.392 23.536 -3.080 1.00 0.00 C ATOM 389 OE1 GLU A 25 11.438 23.739 -3.729 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.295 23.838 -1.874 1.00 0.00 O ATOM 0 H GLU A 25 7.336 20.114 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 25 8.037 20.998 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.695 20.997 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.376 21.180 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.092 23.234 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.327 23.039 -3.171 1.00 0.00 H new ATOM 397 N ASN A 26 8.002 18.194 -4.276 1.00 0.00 N ATOM 398 CA ASN A 26 8.396 16.812 -4.397 1.00 0.00 C ATOM 399 C ASN A 26 7.603 16.200 -5.474 1.00 0.00 C ATOM 400 O ASN A 26 6.624 16.781 -5.957 1.00 0.00 O ATOM 401 CB ASN A 26 8.094 16.010 -3.129 1.00 0.00 C ATOM 402 CG ASN A 26 8.337 16.768 -1.883 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.423 16.772 -1.324 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.304 17.403 -1.431 1.00 0.00 N ATOM 0 H ASN A 26 7.056 18.343 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 26 9.469 16.793 -4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.053 15.687 -3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.708 15.109 -3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.374 17.941 -0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.420 17.366 -1.939 1.00 0.00 H new ATOM 411 N LEU A 27 7.971 15.034 -5.805 1.00 0.00 N ATOM 412 CA LEU A 27 7.277 14.263 -6.758 1.00 0.00 C ATOM 413 C LEU A 27 6.925 13.009 -6.015 1.00 0.00 C ATOM 414 O LEU A 27 7.807 12.254 -5.631 1.00 0.00 O ATOM 415 CB LEU A 27 8.198 13.989 -7.962 1.00 0.00 C ATOM 416 CG LEU A 27 7.556 13.492 -9.267 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.933 12.108 -9.114 1.00 0.00 C ATOM 418 CD2 LEU A 27 6.534 14.501 -9.751 1.00 0.00 C ATOM 0 H LEU A 27 8.789 14.569 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 27 6.389 14.748 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.737 14.910 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.939 13.252 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 27 8.344 13.395 -10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.492 11.800 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.702 11.393 -8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.159 12.140 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.081 14.145 -10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.760 14.627 -8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.024 15.458 -9.932 1.00 0.00 H new ATOM 430 N ILE A 28 5.678 12.835 -5.722 1.00 0.00 N ATOM 431 CA ILE A 28 5.275 11.728 -4.924 1.00 0.00 C ATOM 432 C ILE A 28 4.275 10.906 -5.696 1.00 0.00 C ATOM 433 O ILE A 28 3.709 11.362 -6.692 1.00 0.00 O ATOM 434 CB ILE A 28 4.624 12.188 -3.570 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.187 13.559 -3.132 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.884 11.151 -2.483 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.829 13.985 -1.722 1.00 0.00 C ATOM 0 H ILE A 28 4.921 13.447 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 28 6.163 11.141 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 28 3.549 12.285 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.273 13.533 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.828 14.319 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.428 11.481 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.452 10.196 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.958 11.034 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.272 14.959 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.745 14.051 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.212 13.252 -1.012 1.00 0.00 H new ATOM 449 N LEU A 29 4.059 9.711 -5.235 1.00 0.00 N ATOM 450 CA LEU A 29 3.094 8.815 -5.812 1.00 0.00 C ATOM 451 C LEU A 29 1.732 9.050 -5.173 1.00 0.00 C ATOM 452 O LEU A 29 0.754 8.340 -5.433 1.00 0.00 O ATOM 453 CB LEU A 29 3.550 7.356 -5.634 1.00 0.00 C ATOM 454 CG LEU A 29 4.666 6.832 -6.577 1.00 0.00 C ATOM 455 CD1 LEU A 29 5.971 7.624 -6.470 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.921 5.367 -6.309 1.00 0.00 C ATOM 0 H LEU A 29 4.555 9.321 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 29 3.011 9.010 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.894 7.234 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.678 6.714 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 29 4.305 6.968 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.708 7.205 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.786 8.667 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.350 7.565 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.705 5.007 -6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.235 5.236 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.007 4.800 -6.485 1.00 0.00 H new ATOM 468 N GLY A 30 1.685 10.037 -4.311 1.00 0.00 N ATOM 469 CA GLY A 30 0.464 10.438 -3.698 1.00 0.00 C ATOM 470 C GLY A 30 0.118 9.688 -2.425 1.00 0.00 C ATOM 471 O GLY A 30 -0.346 10.285 -1.460 1.00 0.00 O ATOM 0 H GLY A 30 2.499 10.579 -4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.519 11.503 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.347 10.305 -4.414 1.00 0.00 H new ATOM 475 N PHE A 31 0.317 8.395 -2.415 1.00 0.00 N ATOM 476 CA PHE A 31 -0.072 7.592 -1.277 1.00 0.00 C ATOM 477 C PHE A 31 1.057 7.444 -0.210 1.00 0.00 C ATOM 478 O PHE A 31 2.221 7.782 -0.454 1.00 0.00 O ATOM 479 CB PHE A 31 -0.594 6.230 -1.758 1.00 0.00 C ATOM 480 CG PHE A 31 0.449 5.342 -2.362 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.726 5.413 -3.704 1.00 0.00 C ATOM 482 CD2 PHE A 31 1.154 4.446 -1.584 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.684 4.609 -4.267 1.00 0.00 C ATOM 484 CE2 PHE A 31 2.116 3.640 -2.135 1.00 0.00 C ATOM 485 CZ PHE A 31 2.387 3.720 -3.481 1.00 0.00 C ATOM 0 H PHE A 31 0.745 7.873 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.877 8.118 -0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.050 5.712 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.381 6.396 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.183 6.111 -4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.945 4.379 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.888 4.672 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.660 2.944 -1.514 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.146 3.090 -3.920 1.00 0.00 H new ATOM 495 N SER A 32 0.668 6.964 0.960 1.00 0.00 N ATOM 496 CA SER A 32 1.539 6.707 2.098 1.00 0.00 C ATOM 497 C SER A 32 1.453 5.222 2.463 1.00 0.00 C ATOM 498 O SER A 32 0.536 4.534 2.017 1.00 0.00 O ATOM 499 CB SER A 32 1.037 7.495 3.279 1.00 0.00 C ATOM 500 OG SER A 32 0.911 8.876 2.970 1.00 0.00 O ATOM 0 H SER A 32 -0.307 6.732 1.152 1.00 0.00 H new ATOM 0 HA SER A 32 2.563 6.987 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.070 7.102 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.721 7.370 4.118 1.00 0.00 H new ATOM 0 HG SER A 32 1.785 9.234 2.710 1.00 0.00 H new ATOM 506 N ILE A 33 2.360 4.742 3.315 1.00 0.00 N ATOM 507 CA ILE A 33 2.402 3.332 3.669 1.00 0.00 C ATOM 508 C ILE A 33 2.387 3.150 5.168 1.00 0.00 C ATOM 509 O ILE A 33 2.597 4.108 5.922 1.00 0.00 O ATOM 510 CB ILE A 33 3.658 2.629 3.108 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.932 2.972 3.914 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.825 3.027 1.676 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.185 2.262 3.442 1.00 0.00 C ATOM 0 H ILE A 33 3.073 5.313 3.770 1.00 0.00 H new ATOM 0 HA ILE A 33 1.514 2.880 3.226 1.00 0.00 H new ATOM 0 HB ILE A 33 3.518 1.551 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.099 4.048 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.762 2.724 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.708 2.539 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.945 2.724 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.944 4.109 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.029 2.562 4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.043 1.184 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.386 2.529 2.404 1.00 0.00 H new ATOM 525 N GLY A 34 2.158 1.928 5.594 1.00 0.00 N ATOM 526 CA GLY A 34 2.143 1.626 6.994 1.00 0.00 C ATOM 527 C GLY A 34 3.341 0.823 7.380 1.00 0.00 C ATOM 528 O GLY A 34 3.832 0.907 8.499 1.00 0.00 O ATOM 0 H GLY A 34 1.980 1.130 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.120 2.552 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.236 1.075 7.241 1.00 0.00 H new ATOM 532 N GLY A 35 3.864 0.085 6.439 1.00 0.00 N ATOM 533 CA GLY A 35 5.020 -0.707 6.715 1.00 0.00 C ATOM 534 C GLY A 35 4.826 -2.168 6.464 1.00 0.00 C ATOM 535 O GLY A 35 3.723 -2.629 6.445 1.00 0.00 O ATOM 0 H GLY A 35 3.509 0.019 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.848 -0.350 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.308 -0.562 7.756 1.00 0.00 H new ATOM 539 N GLY A 36 5.939 -2.866 6.261 1.00 0.00 N ATOM 540 CA GLY A 36 5.924 -4.277 6.014 1.00 0.00 C ATOM 541 C GLY A 36 6.391 -5.095 7.185 1.00 0.00 C ATOM 542 O GLY A 36 5.805 -5.045 8.241 1.00 0.00 O ATOM 0 H GLY A 36 6.872 -2.454 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.911 -4.581 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.557 -4.494 5.154 1.00 0.00 H new ATOM 546 N ILE A 37 7.501 -5.800 7.015 1.00 0.00 N ATOM 547 CA ILE A 37 7.980 -6.751 8.046 1.00 0.00 C ATOM 548 C ILE A 37 8.429 -6.076 9.348 1.00 0.00 C ATOM 549 O ILE A 37 8.379 -6.660 10.419 1.00 0.00 O ATOM 550 CB ILE A 37 9.086 -7.732 7.558 1.00 0.00 C ATOM 551 CG1 ILE A 37 10.450 -7.029 7.378 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.647 -8.423 6.269 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.473 -5.978 6.339 1.00 0.00 C ATOM 0 H ILE A 37 8.092 -5.743 6.186 1.00 0.00 H new ATOM 0 HA ILE A 37 7.089 -7.343 8.256 1.00 0.00 H new ATOM 0 HB ILE A 37 9.223 -8.488 8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.743 -6.586 8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.200 -7.780 7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.429 -9.106 5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.729 -8.982 6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.469 -7.674 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.470 -5.542 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.215 -6.415 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.751 -5.202 6.591 1.00 0.00 H new ATOM 565 N ASP A 38 8.834 -4.844 9.214 1.00 0.00 N ATOM 566 CA ASP A 38 9.309 -4.001 10.330 1.00 0.00 C ATOM 567 C ASP A 38 8.168 -3.693 11.300 1.00 0.00 C ATOM 568 O ASP A 38 8.385 -3.343 12.457 1.00 0.00 O ATOM 569 CB ASP A 38 9.891 -2.695 9.732 1.00 0.00 C ATOM 570 CG ASP A 38 10.324 -1.630 10.748 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.452 -1.689 11.253 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.568 -0.669 10.978 1.00 0.00 O ATOM 0 H ASP A 38 8.852 -4.366 8.313 1.00 0.00 H new ATOM 0 HA ASP A 38 10.079 -4.528 10.894 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.752 -2.952 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.144 -2.256 9.070 1.00 0.00 H new ATOM 577 N GLN A 39 6.954 -3.875 10.817 1.00 0.00 N ATOM 578 CA GLN A 39 5.748 -3.540 11.584 1.00 0.00 C ATOM 579 C GLN A 39 5.157 -4.796 12.250 1.00 0.00 C ATOM 580 O GLN A 39 5.498 -5.940 11.878 1.00 0.00 O ATOM 581 CB GLN A 39 4.708 -2.901 10.657 1.00 0.00 C ATOM 582 CG GLN A 39 5.309 -2.090 9.582 1.00 0.00 C ATOM 583 CD GLN A 39 6.221 -1.002 10.056 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.281 -0.841 9.330 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.023 -0.382 11.099 1.00 0.00 N flip ATOM 0 H GLN A 39 6.766 -4.256 9.890 1.00 0.00 H new ATOM 0 HA GLN A 39 6.020 -2.833 12.368 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.096 -3.686 10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.041 -2.273 11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.867 -2.749 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.509 -1.644 8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.171 -0.545 11.635 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.711 0.296 11.428 1.00 0.00 H new ATOM 594 N ASP A 40 4.269 -4.594 13.205 1.00 0.00 N ATOM 595 CA ASP A 40 3.685 -5.695 13.957 1.00 0.00 C ATOM 596 C ASP A 40 2.182 -5.708 13.769 1.00 0.00 C ATOM 597 O ASP A 40 1.515 -4.752 14.175 1.00 0.00 O ATOM 598 CB ASP A 40 3.906 -5.507 15.432 1.00 0.00 C ATOM 599 CG ASP A 40 3.860 -6.804 16.197 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.767 -7.347 16.405 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.929 -7.289 16.633 1.00 0.00 O ATOM 0 H ASP A 40 3.933 -3.672 13.482 1.00 0.00 H new ATOM 0 HA ASP A 40 4.152 -6.613 13.599 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.873 -5.029 15.592 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.147 -4.831 15.826 1.00 0.00 H new ATOM 606 N PRO A 41 1.610 -6.789 13.207 1.00 0.00 N ATOM 607 CA PRO A 41 0.160 -6.911 12.953 1.00 0.00 C ATOM 608 C PRO A 41 -0.705 -6.671 14.193 1.00 0.00 C ATOM 609 O PRO A 41 -1.847 -6.211 14.080 1.00 0.00 O ATOM 610 CB PRO A 41 -0.011 -8.352 12.459 1.00 0.00 C ATOM 611 CG PRO A 41 1.270 -9.023 12.780 1.00 0.00 C ATOM 612 CD PRO A 41 2.313 -7.961 12.725 1.00 0.00 C ATOM 0 HA PRO A 41 -0.169 -6.154 12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.848 -8.842 12.955 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.214 -8.381 11.388 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.233 -9.483 13.767 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.484 -9.818 12.066 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.170 -8.204 13.353 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.690 -7.818 11.712 1.00 0.00 H new ATOM 620 N SER A 42 -0.133 -6.918 15.365 1.00 0.00 N ATOM 621 CA SER A 42 -0.835 -6.746 16.618 1.00 0.00 C ATOM 622 C SER A 42 -1.153 -5.259 16.857 1.00 0.00 C ATOM 623 O SER A 42 -2.142 -4.919 17.510 1.00 0.00 O ATOM 624 CB SER A 42 0.023 -7.302 17.769 1.00 0.00 C ATOM 625 OG SER A 42 -0.633 -7.203 19.026 1.00 0.00 O ATOM 0 H SER A 42 0.829 -7.242 15.467 1.00 0.00 H new ATOM 0 HA SER A 42 -1.777 -7.293 16.577 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.264 -8.346 17.568 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.967 -6.759 17.811 1.00 0.00 H new ATOM 0 HG SER A 42 -0.054 -7.568 19.727 1.00 0.00 H new ATOM 631 N GLN A 43 -0.343 -4.380 16.286 1.00 0.00 N ATOM 632 CA GLN A 43 -0.500 -2.955 16.520 1.00 0.00 C ATOM 633 C GLN A 43 -0.741 -2.203 15.223 1.00 0.00 C ATOM 634 O GLN A 43 -0.833 -0.981 15.204 1.00 0.00 O ATOM 635 CB GLN A 43 0.739 -2.426 17.241 1.00 0.00 C ATOM 636 CG GLN A 43 2.023 -2.494 16.455 1.00 0.00 C ATOM 637 CD GLN A 43 3.205 -2.841 17.319 1.00 0.00 C ATOM 638 OE1 GLN A 43 3.009 -3.756 18.231 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.321 -2.360 17.085 1.00 0.00 N flip ATOM 0 H GLN A 43 0.425 -4.627 15.661 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.377 -2.794 17.147 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.560 -1.388 17.522 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.869 -2.989 18.165 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.923 -3.238 15.664 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.200 -1.534 15.969 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.428 -1.647 16.363 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.134 -2.676 17.614 1.00 0.00 H new ATOM 648 N ASN A 44 -0.856 -2.936 14.156 1.00 0.00 N ATOM 649 CA ASN A 44 -1.024 -2.350 12.840 1.00 0.00 C ATOM 650 C ASN A 44 -2.469 -2.144 12.451 1.00 0.00 C ATOM 651 O ASN A 44 -3.345 -2.907 12.854 1.00 0.00 O ATOM 652 CB ASN A 44 -0.321 -3.171 11.795 1.00 0.00 C ATOM 653 CG ASN A 44 1.173 -2.942 11.728 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.913 -3.836 11.365 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.628 -1.759 12.062 1.00 0.00 N ATOM 0 H ASN A 44 -0.837 -3.956 14.162 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.570 -1.360 12.895 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.507 -4.227 11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.756 -2.948 10.821 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.629 -1.567 12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.981 -1.030 12.362 1.00 0.00 H new ATOM 662 N PRO A 45 -2.730 -1.105 11.629 1.00 0.00 N ATOM 663 CA PRO A 45 -4.080 -0.747 11.183 1.00 0.00 C ATOM 664 C PRO A 45 -4.680 -1.763 10.202 1.00 0.00 C ATOM 665 O PRO A 45 -5.778 -2.245 10.395 1.00 0.00 O ATOM 666 CB PRO A 45 -3.863 0.603 10.482 1.00 0.00 C ATOM 667 CG PRO A 45 -2.443 0.570 10.033 1.00 0.00 C ATOM 668 CD PRO A 45 -1.713 -0.157 11.101 1.00 0.00 C ATOM 0 HA PRO A 45 -4.785 -0.718 12.014 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.543 0.725 9.639 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.045 1.436 11.161 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.345 0.062 9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.048 1.577 9.902 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.842 -0.680 10.708 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.355 0.521 11.876 1.00 0.00 H new ATOM 676 N PHE A 46 -3.936 -2.106 9.165 1.00 0.00 N ATOM 677 CA PHE A 46 -4.475 -2.976 8.123 1.00 0.00 C ATOM 678 C PHE A 46 -3.881 -4.360 8.196 1.00 0.00 C ATOM 679 O PHE A 46 -4.289 -5.273 7.490 1.00 0.00 O ATOM 680 CB PHE A 46 -4.277 -2.342 6.744 1.00 0.00 C ATOM 681 CG PHE A 46 -4.860 -0.960 6.661 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.213 -0.775 6.437 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.055 0.154 6.838 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.746 0.497 6.389 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.588 1.418 6.797 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.929 1.590 6.573 1.00 0.00 C ATOM 0 H PHE A 46 -2.973 -1.804 9.019 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.546 -3.086 8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.212 -2.299 6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.739 -2.975 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.856 -1.632 6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.997 0.026 7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.802 0.635 6.208 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.950 2.278 6.941 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.346 2.586 6.541 1.00 0.00 H new ATOM 696 N SER A 47 -2.969 -4.520 9.095 1.00 0.00 N ATOM 697 CA SER A 47 -2.301 -5.791 9.252 1.00 0.00 C ATOM 698 C SER A 47 -2.972 -6.561 10.384 1.00 0.00 C ATOM 699 O SER A 47 -2.579 -7.662 10.729 1.00 0.00 O ATOM 700 CB SER A 47 -0.823 -5.579 9.541 1.00 0.00 C ATOM 701 OG SER A 47 -0.056 -6.754 9.299 1.00 0.00 O ATOM 0 H SER A 47 -2.661 -3.792 9.739 1.00 0.00 H new ATOM 0 HA SER A 47 -2.379 -6.367 8.330 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.446 -4.766 8.921 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.697 -5.272 10.579 1.00 0.00 H new ATOM 0 HG SER A 47 -0.647 -7.472 8.990 1.00 0.00 H new ATOM 707 N GLU A 48 -3.997 -5.965 10.965 1.00 0.00 N ATOM 708 CA GLU A 48 -4.746 -6.655 11.989 1.00 0.00 C ATOM 709 C GLU A 48 -5.689 -7.651 11.322 1.00 0.00 C ATOM 710 O GLU A 48 -6.115 -8.631 11.922 1.00 0.00 O ATOM 711 CB GLU A 48 -5.558 -5.692 12.862 1.00 0.00 C ATOM 712 CG GLU A 48 -6.576 -4.863 12.093 1.00 0.00 C ATOM 713 CD GLU A 48 -7.560 -4.171 12.991 1.00 0.00 C ATOM 714 OE1 GLU A 48 -7.213 -3.167 13.622 1.00 0.00 O ATOM 715 OE2 GLU A 48 -8.712 -4.625 13.085 1.00 0.00 O ATOM 0 H GLU A 48 -4.322 -5.023 10.749 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.036 -7.166 12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.078 -6.265 13.630 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.872 -5.019 13.377 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.053 -4.119 11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.115 -5.509 11.400 1.00 0.00 H new ATOM 722 N ASP A 49 -6.009 -7.367 10.064 1.00 0.00 N ATOM 723 CA ASP A 49 -6.917 -8.190 9.287 1.00 0.00 C ATOM 724 C ASP A 49 -6.165 -9.393 8.762 1.00 0.00 C ATOM 725 O ASP A 49 -6.520 -10.533 9.040 1.00 0.00 O ATOM 726 CB ASP A 49 -7.509 -7.381 8.133 1.00 0.00 C ATOM 727 CG ASP A 49 -8.555 -8.152 7.369 1.00 0.00 C ATOM 728 OD1 ASP A 49 -9.750 -8.075 7.738 1.00 0.00 O ATOM 729 OD2 ASP A 49 -8.210 -8.833 6.400 1.00 0.00 O ATOM 0 H ASP A 49 -5.644 -6.560 9.558 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.738 -8.526 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.950 -6.464 8.524 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.710 -7.085 7.453 1.00 0.00 H new ATOM 734 N LYS A 50 -5.122 -9.131 8.019 1.00 0.00 N ATOM 735 CA LYS A 50 -4.239 -10.166 7.535 1.00 0.00 C ATOM 736 C LYS A 50 -2.932 -10.001 8.271 1.00 0.00 C ATOM 737 O LYS A 50 -2.321 -8.932 8.224 1.00 0.00 O ATOM 738 CB LYS A 50 -3.995 -10.035 6.035 1.00 0.00 C ATOM 739 CG LYS A 50 -5.228 -10.141 5.096 1.00 0.00 C ATOM 740 CD LYS A 50 -5.756 -11.582 4.911 1.00 0.00 C ATOM 741 CE LYS A 50 -6.661 -12.079 6.039 1.00 0.00 C ATOM 742 NZ LYS A 50 -7.980 -11.407 6.053 1.00 0.00 N ATOM 0 H LYS A 50 -4.857 -8.189 7.730 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.684 -11.146 7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.517 -9.072 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.282 -10.805 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.030 -9.520 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.964 -9.734 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.306 -11.635 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.905 -12.258 4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.807 -13.154 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.165 -11.916 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.650 -11.970 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.883 -10.461 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.334 -11.318 5.079 1.00 0.00 H new ATOM 756 N THR A 51 -2.491 -11.043 8.897 1.00 0.00 N ATOM 757 CA THR A 51 -1.325 -10.979 9.761 1.00 0.00 C ATOM 758 C THR A 51 -0.024 -11.256 9.001 1.00 0.00 C ATOM 759 O THR A 51 1.062 -11.381 9.592 1.00 0.00 O ATOM 760 CB THR A 51 -1.479 -11.925 10.972 1.00 0.00 C ATOM 761 OG1 THR A 51 -1.866 -13.242 10.528 1.00 0.00 O ATOM 762 CG2 THR A 51 -2.525 -11.391 11.942 1.00 0.00 C ATOM 0 H THR A 51 -2.918 -11.967 8.834 1.00 0.00 H new ATOM 0 HA THR A 51 -1.260 -9.957 10.135 1.00 0.00 H new ATOM 0 HB THR A 51 -0.518 -11.981 11.483 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.959 -13.834 11.303 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.618 -12.072 12.788 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.221 -10.407 12.300 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.486 -11.311 11.433 1.00 0.00 H new ATOM 770 N ASP A 52 -0.145 -11.364 7.702 1.00 0.00 N ATOM 771 CA ASP A 52 0.991 -11.515 6.819 1.00 0.00 C ATOM 772 C ASP A 52 1.514 -10.137 6.528 1.00 0.00 C ATOM 773 O ASP A 52 0.780 -9.289 6.019 1.00 0.00 O ATOM 774 CB ASP A 52 0.575 -12.231 5.526 1.00 0.00 C ATOM 775 CG ASP A 52 1.695 -12.375 4.504 1.00 0.00 C ATOM 776 OD1 ASP A 52 2.752 -12.959 4.826 1.00 0.00 O ATOM 777 OD2 ASP A 52 1.519 -11.928 3.341 1.00 0.00 O ATOM 0 H ASP A 52 -1.044 -11.350 7.219 1.00 0.00 H new ATOM 0 HA ASP A 52 1.766 -12.123 7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.199 -13.222 5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.250 -11.683 5.070 1.00 0.00 H new ATOM 782 N LYS A 53 2.754 -9.903 6.885 1.00 0.00 N ATOM 783 CA LYS A 53 3.345 -8.588 6.764 1.00 0.00 C ATOM 784 C LYS A 53 3.588 -8.223 5.291 1.00 0.00 C ATOM 785 O LYS A 53 3.536 -9.079 4.398 1.00 0.00 O ATOM 786 CB LYS A 53 4.663 -8.489 7.555 1.00 0.00 C ATOM 787 CG LYS A 53 4.607 -8.940 9.031 1.00 0.00 C ATOM 788 CD LYS A 53 5.938 -8.629 9.694 1.00 0.00 C ATOM 789 CE LYS A 53 6.176 -9.210 11.062 1.00 0.00 C ATOM 790 NZ LYS A 53 5.210 -8.764 12.047 1.00 0.00 N ATOM 0 H LYS A 53 3.380 -10.613 7.266 1.00 0.00 H new ATOM 0 HA LYS A 53 2.636 -7.877 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.416 -9.087 7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.004 -7.454 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.798 -8.427 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.397 -10.008 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.733 -8.978 9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.035 -7.546 9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.145 -10.298 10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.178 -8.939 11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.590 -8.921 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.019 -7.751 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.326 -9.300 11.934 1.00 0.00 H new ATOM 804 N GLY A 54 3.887 -6.978 5.061 1.00 0.00 N ATOM 805 CA GLY A 54 4.070 -6.455 3.733 1.00 0.00 C ATOM 806 C GLY A 54 3.681 -5.011 3.751 1.00 0.00 C ATOM 807 O GLY A 54 2.977 -4.616 4.627 1.00 0.00 O ATOM 0 H GLY A 54 4.013 -6.285 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.108 -6.567 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.459 -7.006 3.018 1.00 0.00 H new ATOM 811 N ILE A 55 4.181 -4.233 2.850 1.00 0.00 N ATOM 812 CA ILE A 55 3.891 -2.823 2.801 1.00 0.00 C ATOM 813 C ILE A 55 2.481 -2.591 2.277 1.00 0.00 C ATOM 814 O ILE A 55 2.079 -3.141 1.261 1.00 0.00 O ATOM 815 CB ILE A 55 4.923 -2.074 1.914 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.343 -2.243 2.477 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.566 -0.594 1.787 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.605 -1.446 3.697 1.00 0.00 C ATOM 0 H ILE A 55 4.811 -4.554 2.115 1.00 0.00 H new ATOM 0 HA ILE A 55 3.961 -2.427 3.814 1.00 0.00 H new ATOM 0 HB ILE A 55 4.893 -2.514 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.511 -3.296 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.063 -1.961 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.305 -0.094 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.580 -0.495 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.558 -0.135 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.627 -1.620 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.471 -0.387 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.910 -1.744 4.482 1.00 0.00 H new ATOM 830 N TYR A 56 1.738 -1.815 2.995 1.00 0.00 N ATOM 831 CA TYR A 56 0.403 -1.470 2.621 1.00 0.00 C ATOM 832 C TYR A 56 0.210 -0.002 2.708 1.00 0.00 C ATOM 833 O TYR A 56 0.914 0.677 3.467 1.00 0.00 O ATOM 834 CB TYR A 56 -0.625 -2.214 3.473 1.00 0.00 C ATOM 835 CG TYR A 56 -0.190 -2.376 4.891 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.278 -1.349 5.810 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.338 -3.570 5.293 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.152 -1.527 7.095 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.776 -3.764 6.560 1.00 0.00 C ATOM 840 CZ TYR A 56 0.684 -2.734 7.467 1.00 0.00 C ATOM 841 OH TYR A 56 1.086 -2.909 8.742 1.00 0.00 O ATOM 0 H TYR A 56 2.045 -1.395 3.872 1.00 0.00 H new ATOM 0 HA TYR A 56 0.248 -1.778 1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.571 -1.674 3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.807 -3.197 3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.690 -0.397 5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.408 -4.380 4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.073 -0.723 7.812 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.192 -4.716 6.855 1.00 0.00 H new ATOM 0 HH TYR A 56 1.155 -2.038 9.186 1.00 0.00 H new ATOM 851 N VAL A 57 -0.709 0.476 1.937 1.00 0.00 N ATOM 852 CA VAL A 57 -1.046 1.874 1.878 1.00 0.00 C ATOM 853 C VAL A 57 -1.888 2.265 3.077 1.00 0.00 C ATOM 854 O VAL A 57 -2.804 1.540 3.456 1.00 0.00 O ATOM 855 CB VAL A 57 -1.821 2.177 0.578 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.259 3.615 0.502 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.977 1.839 -0.609 1.00 0.00 C ATOM 0 H VAL A 57 -1.266 -0.105 1.310 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.123 2.454 1.890 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.719 1.560 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.800 3.782 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.910 3.842 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.384 4.264 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.531 2.055 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.064 2.435 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.720 0.780 -0.583 1.00 0.00 H new ATOM 867 N THR A 58 -1.575 3.378 3.679 1.00 0.00 N ATOM 868 CA THR A 58 -2.329 3.863 4.796 1.00 0.00 C ATOM 869 C THR A 58 -3.099 5.116 4.435 1.00 0.00 C ATOM 870 O THR A 58 -4.056 5.487 5.097 1.00 0.00 O ATOM 871 CB THR A 58 -1.399 4.142 5.946 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.239 4.827 5.439 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.008 2.850 6.642 1.00 0.00 C ATOM 0 H THR A 58 -0.791 3.972 3.408 1.00 0.00 H new ATOM 0 HA THR A 58 -3.050 3.098 5.084 1.00 0.00 H new ATOM 0 HB THR A 58 -1.898 4.770 6.684 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.444 4.876 6.140 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.335 3.072 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.902 2.357 7.023 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.505 2.192 5.933 1.00 0.00 H new ATOM 881 N ARG A 59 -2.670 5.761 3.389 1.00 0.00 N ATOM 882 CA ARG A 59 -3.288 6.963 2.893 1.00 0.00 C ATOM 883 C ARG A 59 -3.014 7.029 1.442 1.00 0.00 C ATOM 884 O ARG A 59 -1.933 6.687 1.049 1.00 0.00 O ATOM 885 CB ARG A 59 -2.638 8.192 3.510 1.00 0.00 C ATOM 886 CG ARG A 59 -2.932 8.471 4.969 1.00 0.00 C ATOM 887 CD ARG A 59 -2.247 9.751 5.433 1.00 0.00 C ATOM 888 NE ARG A 59 -0.796 9.753 5.151 1.00 0.00 N ATOM 889 CZ ARG A 59 0.163 10.187 5.976 1.00 0.00 C ATOM 890 NH1 ARG A 59 -0.125 10.539 7.229 1.00 0.00 N ATOM 891 NH2 ARG A 59 1.417 10.230 5.544 1.00 0.00 N ATOM 0 H ARG A 59 -1.862 5.461 2.843 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.352 6.945 3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.558 8.097 3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.945 9.063 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.009 8.557 5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.594 7.633 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.710 10.606 4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.405 9.876 6.504 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.499 9.390 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.085 10.479 7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.615 10.869 7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.639 9.934 4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.158 10.559 6.162 1.00 0.00 H new ATOM 905 N VAL A 60 -3.960 7.400 0.634 1.00 0.00 N ATOM 906 CA VAL A 60 -3.706 7.625 -0.681 1.00 0.00 C ATOM 907 C VAL A 60 -3.722 9.112 -0.927 1.00 0.00 C ATOM 908 O VAL A 60 -3.773 9.908 0.020 1.00 0.00 O ATOM 909 CB VAL A 60 -4.724 6.943 -1.563 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.574 5.453 -1.551 1.00 0.00 C ATOM 911 CG2 VAL A 60 -6.142 7.346 -1.258 1.00 0.00 C ATOM 0 H VAL A 60 -4.930 7.546 0.913 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.728 7.211 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.511 7.293 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.328 5.006 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.581 5.184 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.705 5.082 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.822 6.819 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.379 7.090 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.253 8.421 -1.400 1.00 0.00 H new ATOM 921 N SER A 61 -3.630 9.478 -2.147 1.00 0.00 N ATOM 922 CA SER A 61 -3.739 10.826 -2.534 1.00 0.00 C ATOM 923 C SER A 61 -5.220 11.058 -2.745 1.00 0.00 C ATOM 924 O SER A 61 -5.802 10.416 -3.600 1.00 0.00 O ATOM 925 CB SER A 61 -2.984 10.986 -3.828 1.00 0.00 C ATOM 926 OG SER A 61 -2.760 12.327 -4.168 1.00 0.00 O ATOM 0 H SER A 61 -3.473 8.833 -2.921 1.00 0.00 H new ATOM 0 HA SER A 61 -3.336 11.530 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.026 10.472 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.541 10.502 -4.630 1.00 0.00 H new ATOM 0 HG SER A 61 -1.807 12.534 -4.072 1.00 0.00 H new ATOM 932 N GLU A 62 -5.805 11.954 -1.969 1.00 0.00 N ATOM 933 CA GLU A 62 -7.270 12.193 -1.940 1.00 0.00 C ATOM 934 C GLU A 62 -7.858 12.660 -3.274 1.00 0.00 C ATOM 935 O GLU A 62 -9.078 12.663 -3.467 1.00 0.00 O ATOM 936 CB GLU A 62 -7.599 13.171 -0.824 1.00 0.00 C ATOM 937 CG GLU A 62 -6.895 14.515 -0.933 1.00 0.00 C ATOM 938 CD GLU A 62 -7.047 15.339 0.320 1.00 0.00 C ATOM 939 OE1 GLU A 62 -6.253 15.158 1.264 1.00 0.00 O ATOM 940 OE2 GLU A 62 -7.963 16.171 0.403 1.00 0.00 O ATOM 0 H GLU A 62 -5.285 12.552 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.742 11.230 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.676 13.339 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.337 12.715 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.836 14.354 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.299 15.068 -1.781 1.00 0.00 H new ATOM 947 N GLY A 63 -7.009 13.065 -4.151 1.00 0.00 N ATOM 948 CA GLY A 63 -7.404 13.471 -5.464 1.00 0.00 C ATOM 949 C GLY A 63 -6.245 13.311 -6.387 1.00 0.00 C ATOM 950 O GLY A 63 -6.067 14.075 -7.343 1.00 0.00 O ATOM 0 H GLY A 63 -6.005 13.127 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.245 12.869 -5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.737 14.509 -5.454 1.00 0.00 H new ATOM 954 N GLY A 64 -5.451 12.307 -6.111 1.00 0.00 N ATOM 955 CA GLY A 64 -4.240 12.109 -6.837 1.00 0.00 C ATOM 956 C GLY A 64 -4.189 10.799 -7.573 1.00 0.00 C ATOM 957 O GLY A 64 -5.161 10.039 -7.554 1.00 0.00 O ATOM 0 H GLY A 64 -5.630 11.615 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.117 12.923 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.399 12.161 -6.146 1.00 0.00 H new ATOM 961 N PRO A 65 -3.001 10.447 -8.104 1.00 0.00 N ATOM 962 CA PRO A 65 -2.819 9.309 -9.015 1.00 0.00 C ATOM 963 C PRO A 65 -3.131 7.990 -8.355 1.00 0.00 C ATOM 964 O PRO A 65 -3.563 7.050 -9.004 1.00 0.00 O ATOM 965 CB PRO A 65 -1.334 9.369 -9.374 1.00 0.00 C ATOM 966 CG PRO A 65 -0.701 10.101 -8.252 1.00 0.00 C ATOM 967 CD PRO A 65 -1.719 11.088 -7.784 1.00 0.00 C ATOM 0 HA PRO A 65 -3.487 9.373 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.913 8.370 -9.482 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.177 9.885 -10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.420 9.419 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.210 10.603 -8.577 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.625 11.284 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.612 12.045 -8.294 1.00 0.00 H new ATOM 975 N ALA A 66 -2.913 7.944 -7.052 1.00 0.00 N ATOM 976 CA ALA A 66 -3.164 6.775 -6.266 1.00 0.00 C ATOM 977 C ALA A 66 -4.603 6.340 -6.405 1.00 0.00 C ATOM 978 O ALA A 66 -4.875 5.293 -7.001 1.00 0.00 O ATOM 979 CB ALA A 66 -2.789 7.009 -4.815 1.00 0.00 C ATOM 0 H ALA A 66 -2.552 8.733 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.536 5.966 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.989 6.106 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.729 7.255 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.379 7.834 -4.415 1.00 0.00 H new ATOM 985 N GLU A 67 -5.530 7.159 -5.944 1.00 0.00 N ATOM 986 CA GLU A 67 -6.920 6.763 -6.047 1.00 0.00 C ATOM 987 C GLU A 67 -7.441 6.823 -7.484 1.00 0.00 C ATOM 988 O GLU A 67 -8.290 6.017 -7.862 1.00 0.00 O ATOM 989 CB GLU A 67 -7.846 7.500 -5.102 1.00 0.00 C ATOM 990 CG GLU A 67 -7.894 9.005 -5.231 1.00 0.00 C ATOM 991 CD GLU A 67 -9.152 9.518 -4.593 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.261 9.488 -3.351 1.00 0.00 O ATOM 993 OE2 GLU A 67 -10.100 9.871 -5.326 1.00 0.00 O ATOM 0 H GLU A 67 -5.357 8.066 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.930 5.721 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.855 7.114 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.554 7.256 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.022 9.450 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.862 9.293 -6.282 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.911 7.767 -8.282 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.273 7.898 -9.698 1.00 0.00 C ATOM 1002 C ILE A 68 -7.005 6.594 -10.456 1.00 0.00 C ATOM 1003 O ILE A 68 -7.805 6.176 -11.296 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.522 9.103 -10.374 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -7.094 10.456 -9.899 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.503 9.020 -11.903 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.558 10.676 -10.232 1.00 0.00 C ATOM 0 H ILE A 68 -6.226 8.453 -7.964 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.342 8.105 -9.746 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.484 9.034 -10.050 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.966 10.531 -8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.509 11.260 -10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.970 9.881 -12.308 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.000 8.104 -12.211 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.526 9.017 -12.280 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.873 11.651 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.695 10.638 -11.313 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.159 9.897 -9.762 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.904 5.943 -10.145 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.583 4.695 -10.795 1.00 0.00 C ATOM 1021 C ALA A 69 -6.385 3.554 -10.199 1.00 0.00 C ATOM 1022 O ALA A 69 -6.986 2.755 -10.926 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.106 4.407 -10.698 1.00 0.00 C ATOM 0 H ALA A 69 -5.223 6.255 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.848 4.786 -11.848 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.886 3.462 -11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.547 5.209 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.816 4.342 -9.649 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.401 3.485 -8.890 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.122 2.422 -8.223 1.00 0.00 C ATOM 1031 C GLY A 70 -6.446 1.939 -6.957 1.00 0.00 C ATOM 1032 O GLY A 70 -6.734 0.850 -6.474 1.00 0.00 O ATOM 0 H GLY A 70 -5.930 4.143 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.126 2.771 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.234 1.583 -8.909 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.542 2.730 -6.428 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.866 2.395 -5.196 1.00 0.00 C ATOM 1038 C LEU A 71 -5.658 2.935 -4.053 1.00 0.00 C ATOM 1039 O LEU A 71 -5.982 4.125 -4.032 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.412 2.934 -5.204 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.511 2.634 -3.994 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.777 1.222 -3.493 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.092 2.656 -4.470 1.00 0.00 C ATOM 0 H LEU A 71 -5.255 3.619 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.796 1.312 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.917 2.540 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.461 4.017 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.701 3.363 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.137 1.013 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.822 1.132 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.563 0.508 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.425 2.446 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.955 1.899 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.861 3.639 -4.881 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.020 2.064 -3.142 1.00 0.00 N ATOM 1056 CA GLN A 72 -6.803 2.432 -2.008 1.00 0.00 C ATOM 1057 C GLN A 72 -6.029 2.245 -0.728 1.00 0.00 C ATOM 1058 O GLN A 72 -5.034 1.516 -0.661 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.075 1.589 -1.942 1.00 0.00 C ATOM 1060 CG GLN A 72 -8.992 1.730 -3.136 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.525 3.127 -3.274 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.778 3.960 -3.925 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.584 3.462 -2.738 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.773 1.075 -3.175 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.062 3.485 -2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.794 0.541 -1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.628 1.861 -1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.452 1.457 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.824 1.033 -3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.142 2.772 -2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.902 4.429 -2.798 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.463 2.945 0.264 1.00 0.00 N ATOM 1073 CA ILE A 73 -5.962 2.792 1.609 1.00 0.00 C ATOM 1074 C ILE A 73 -6.255 1.371 2.088 1.00 0.00 C ATOM 1075 O ILE A 73 -7.397 0.904 1.986 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.651 3.796 2.568 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.346 5.235 2.154 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.255 3.547 4.003 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.915 6.285 3.088 1.00 0.00 C ATOM 0 H ILE A 73 -7.189 3.656 0.173 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.889 2.984 1.609 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.728 3.643 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.265 5.363 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.740 5.404 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.756 4.268 4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.548 2.537 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.175 3.655 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.653 7.278 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.000 6.187 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.502 6.146 4.087 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.245 0.689 2.578 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.432 -0.649 3.063 1.00 0.00 C ATOM 1093 C GLY A 74 -5.022 -1.681 2.057 1.00 0.00 C ATOM 1094 O GLY A 74 -5.218 -2.879 2.275 1.00 0.00 O ATOM 0 H GLY A 74 -4.291 1.042 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.854 -0.786 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.480 -0.795 3.324 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.471 -1.238 0.943 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.029 -2.158 -0.077 1.00 0.00 C ATOM 1100 C ASP A 75 -2.679 -2.704 0.224 1.00 0.00 C ATOM 1101 O ASP A 75 -1.709 -1.954 0.407 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.115 -1.587 -1.487 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.538 -1.522 -1.988 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.385 -2.318 -1.501 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.842 -0.703 -2.869 1.00 0.00 O ATOM 0 H ASP A 75 -4.321 -0.253 0.726 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.732 -2.990 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.681 -0.587 -1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.521 -2.201 -2.163 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.633 -4.013 0.313 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.440 -4.750 0.635 1.00 0.00 C ATOM 1112 C LYS A 76 -0.629 -4.946 -0.629 1.00 0.00 C ATOM 1113 O LYS A 76 -0.943 -5.809 -1.472 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.845 -6.075 1.309 1.00 0.00 C ATOM 1115 CG LYS A 76 -0.714 -6.998 1.740 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.264 -8.099 2.638 1.00 0.00 C ATOM 1117 CE LYS A 76 -0.207 -9.108 3.064 1.00 0.00 C ATOM 1118 NZ LYS A 76 0.147 -10.068 1.990 1.00 0.00 N ATOM 0 H LYS A 76 -3.447 -4.607 0.159 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.809 -4.209 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.445 -5.840 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.488 -6.624 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.235 -7.435 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.050 -6.430 2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.706 -7.648 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.065 -8.621 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.691 -8.575 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.569 -9.660 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.983 -10.617 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.651 -10.714 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.358 -9.547 1.115 1.00 0.00 H new ATOM 1132 N ILE A 77 0.372 -4.117 -0.775 1.00 0.00 N ATOM 1133 CA ILE A 77 1.184 -4.055 -1.953 1.00 0.00 C ATOM 1134 C ILE A 77 2.193 -5.173 -1.934 1.00 0.00 C ATOM 1135 O ILE A 77 2.922 -5.336 -0.976 1.00 0.00 O ATOM 1136 CB ILE A 77 1.943 -2.742 -1.993 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.018 -1.590 -1.650 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.510 -2.546 -3.390 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.754 -0.409 -1.147 1.00 0.00 C ATOM 0 H ILE A 77 0.649 -3.450 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 77 0.534 -4.141 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 77 2.751 -2.767 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.447 -1.310 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.300 -1.915 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.058 -1.605 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.184 -3.369 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.695 -2.523 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.048 0.388 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.304 -0.680 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.453 -0.064 -1.909 1.00 0.00 H new ATOM 1151 N MET A 78 2.252 -5.919 -2.990 1.00 0.00 N ATOM 1152 CA MET A 78 3.118 -7.057 -3.059 1.00 0.00 C ATOM 1153 C MET A 78 4.210 -6.782 -4.072 1.00 0.00 C ATOM 1154 O MET A 78 5.281 -7.381 -4.040 1.00 0.00 O ATOM 1155 CB MET A 78 2.321 -8.308 -3.477 1.00 0.00 C ATOM 1156 CG MET A 78 1.029 -8.604 -2.673 1.00 0.00 C ATOM 1157 SD MET A 78 1.229 -9.384 -1.025 1.00 0.00 S ATOM 1158 CE MET A 78 2.140 -8.177 -0.076 1.00 0.00 C ATOM 0 H MET A 78 1.700 -5.758 -3.833 1.00 0.00 H new ATOM 0 HA MET A 78 3.559 -7.238 -2.079 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.053 -8.206 -4.529 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.978 -9.174 -3.398 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.491 -7.665 -2.540 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.395 -9.251 -3.279 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.278 -8.543 0.942 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.114 -8.012 -0.537 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.586 -7.239 -0.053 1.00 0.00 H new ATOM 1168 N GLN A 79 3.973 -5.825 -4.929 1.00 0.00 N ATOM 1169 CA GLN A 79 4.882 -5.552 -5.994 1.00 0.00 C ATOM 1170 C GLN A 79 4.844 -4.069 -6.317 1.00 0.00 C ATOM 1171 O GLN A 79 3.790 -3.486 -6.332 1.00 0.00 O ATOM 1172 CB GLN A 79 4.479 -6.378 -7.231 1.00 0.00 C ATOM 1173 CG GLN A 79 5.599 -7.222 -7.817 1.00 0.00 C ATOM 1174 CD GLN A 79 6.765 -6.412 -8.259 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.522 -5.254 -8.771 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 7.878 -6.851 -8.187 1.00 0.00 N flip ATOM 0 H GLN A 79 3.151 -5.222 -4.904 1.00 0.00 H new ATOM 0 HA GLN A 79 5.895 -5.826 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.651 -7.033 -6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.111 -5.700 -8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.928 -7.947 -7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.214 -7.788 -8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.038 -7.771 -7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.665 -6.305 -8.536 1.00 0.00 H new ATOM 1185 N VAL A 80 5.992 -3.483 -6.545 1.00 0.00 N ATOM 1186 CA VAL A 80 6.125 -2.077 -6.926 1.00 0.00 C ATOM 1187 C VAL A 80 7.192 -1.965 -7.977 1.00 0.00 C ATOM 1188 O VAL A 80 8.291 -2.432 -7.761 1.00 0.00 O ATOM 1189 CB VAL A 80 6.518 -1.191 -5.702 1.00 0.00 C ATOM 1190 CG1 VAL A 80 7.004 0.208 -6.118 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.339 -1.072 -4.760 1.00 0.00 C ATOM 0 H VAL A 80 6.886 -3.969 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 80 5.166 -1.726 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 80 7.351 -1.681 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.264 0.782 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.881 0.113 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.212 0.722 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.616 -0.453 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.500 -0.614 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.051 -2.063 -4.411 1.00 0.00 H new ATOM 1201 N ASN A 81 6.818 -1.449 -9.138 1.00 0.00 N ATOM 1202 CA ASN A 81 7.714 -1.156 -10.262 1.00 0.00 C ATOM 1203 C ASN A 81 8.604 -2.342 -10.623 1.00 0.00 C ATOM 1204 O ASN A 81 9.779 -2.209 -10.961 1.00 0.00 O ATOM 1205 CB ASN A 81 8.506 0.129 -10.021 1.00 0.00 C ATOM 1206 CG ASN A 81 9.064 0.670 -11.316 1.00 0.00 C ATOM 1207 OD1 ASN A 81 8.196 1.278 -12.077 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 10.233 0.475 -11.660 1.00 0.00 N flip ATOM 0 H ASN A 81 5.846 -1.211 -9.337 1.00 0.00 H new ATOM 0 HA ASN A 81 7.089 -0.982 -11.138 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.862 0.876 -9.558 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.320 -0.067 -9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.876 -0.005 -11.031 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.556 0.794 -12.573 1.00 0.00 H new ATOM 1215 N GLY A 82 8.001 -3.498 -10.575 1.00 0.00 N ATOM 1216 CA GLY A 82 8.685 -4.744 -10.845 1.00 0.00 C ATOM 1217 C GLY A 82 9.821 -5.083 -9.862 1.00 0.00 C ATOM 1218 O GLY A 82 10.674 -5.914 -10.164 1.00 0.00 O ATOM 0 H GLY A 82 7.013 -3.608 -10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.955 -5.554 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.096 -4.706 -11.854 1.00 0.00 H new ATOM 1222 N TRP A 83 9.853 -4.426 -8.727 1.00 0.00 N ATOM 1223 CA TRP A 83 10.891 -4.670 -7.730 1.00 0.00 C ATOM 1224 C TRP A 83 10.471 -5.771 -6.691 1.00 0.00 C ATOM 1225 O TRP A 83 10.818 -6.940 -6.891 1.00 0.00 O ATOM 1226 CB TRP A 83 11.478 -3.295 -7.172 1.00 0.00 C ATOM 1227 CG TRP A 83 11.176 -2.842 -5.755 1.00 0.00 C ATOM 1228 CD1 TRP A 83 10.035 -2.238 -5.299 1.00 0.00 C ATOM 1229 CD2 TRP A 83 12.073 -2.886 -4.633 1.00 0.00 C ATOM 1230 NE1 TRP A 83 10.161 -1.958 -3.960 1.00 0.00 N ATOM 1231 CE2 TRP A 83 11.394 -2.338 -3.538 1.00 0.00 C ATOM 1232 CE3 TRP A 83 13.374 -3.357 -4.446 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.961 -2.234 -2.286 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.946 -3.253 -3.186 1.00 0.00 C ATOM 1235 CH2 TRP A 83 13.233 -2.694 -2.118 1.00 0.00 C ATOM 0 H TRP A 83 9.173 -3.714 -8.462 1.00 0.00 H new ATOM 0 HA TRP A 83 11.759 -5.136 -8.196 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.563 -3.347 -7.268 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.136 -2.505 -7.841 1.00 0.00 H new ATOM 0 HD1 TRP A 83 9.167 -2.015 -5.901 1.00 0.00 H new ATOM 0 HE1 TRP A 83 9.442 -1.532 -3.375 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.924 -3.794 -5.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 11.413 -1.801 -1.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.954 -3.608 -3.027 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.698 -2.626 -1.146 1.00 0.00 H new ATOM 1246 N ASP A 84 9.707 -5.411 -5.650 1.00 0.00 N ATOM 1247 CA ASP A 84 9.151 -6.336 -4.631 1.00 0.00 C ATOM 1248 C ASP A 84 8.621 -5.473 -3.527 1.00 0.00 C ATOM 1249 O ASP A 84 9.310 -4.589 -3.077 1.00 0.00 O ATOM 1250 CB ASP A 84 10.218 -7.240 -3.995 1.00 0.00 C ATOM 1251 CG ASP A 84 9.634 -8.339 -3.114 1.00 0.00 C ATOM 1252 OD1 ASP A 84 9.118 -8.052 -2.014 1.00 0.00 O ATOM 1253 OD2 ASP A 84 9.705 -9.526 -3.511 1.00 0.00 O ATOM 0 H ASP A 84 9.446 -4.439 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 84 8.408 -6.971 -5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.815 -7.696 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.894 -6.627 -3.399 1.00 0.00 H new ATOM 1258 N MET A 85 7.411 -5.657 -3.133 1.00 0.00 N ATOM 1259 CA MET A 85 6.906 -4.863 -2.021 1.00 0.00 C ATOM 1260 C MET A 85 6.293 -5.782 -0.960 1.00 0.00 C ATOM 1261 O MET A 85 5.821 -5.355 0.105 1.00 0.00 O ATOM 1262 CB MET A 85 5.924 -3.819 -2.546 1.00 0.00 C ATOM 1263 CG MET A 85 5.471 -2.792 -1.528 1.00 0.00 C ATOM 1264 SD MET A 85 6.824 -1.844 -0.787 1.00 0.00 S ATOM 1265 CE MET A 85 7.562 -1.008 -2.165 1.00 0.00 C ATOM 0 H MET A 85 6.753 -6.324 -3.536 1.00 0.00 H new ATOM 0 HA MET A 85 7.720 -4.324 -1.537 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.386 -3.297 -3.384 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.045 -4.333 -2.936 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.777 -2.102 -2.008 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.920 -3.299 -0.736 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.532 -0.607 -1.871 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.694 -1.710 -2.988 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.914 -0.192 -2.485 1.00 0.00 H new ATOM 1275 N THR A 86 6.362 -7.049 -1.244 1.00 0.00 N ATOM 1276 CA THR A 86 5.829 -8.060 -0.380 1.00 0.00 C ATOM 1277 C THR A 86 6.793 -8.381 0.783 1.00 0.00 C ATOM 1278 O THR A 86 6.354 -8.740 1.884 1.00 0.00 O ATOM 1279 CB THR A 86 5.409 -9.344 -1.194 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.948 -10.411 -0.342 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.528 -9.843 -2.081 1.00 0.00 C ATOM 0 H THR A 86 6.795 -7.414 -2.092 1.00 0.00 H new ATOM 0 HA THR A 86 4.920 -7.666 0.076 1.00 0.00 H new ATOM 0 HB THR A 86 4.577 -9.033 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.698 -11.183 -0.891 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.195 -10.728 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.803 -9.064 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.393 -10.097 -1.468 1.00 0.00 H new ATOM 1289 N MET A 87 8.080 -8.227 0.568 1.00 0.00 N ATOM 1290 CA MET A 87 9.040 -8.500 1.617 1.00 0.00 C ATOM 1291 C MET A 87 10.054 -7.366 1.718 1.00 0.00 C ATOM 1292 O MET A 87 11.199 -7.486 1.267 1.00 0.00 O ATOM 1293 CB MET A 87 9.732 -9.858 1.387 1.00 0.00 C ATOM 1294 CG MET A 87 10.672 -10.296 2.503 1.00 0.00 C ATOM 1295 SD MET A 87 11.472 -11.892 2.173 1.00 0.00 S ATOM 1296 CE MET A 87 12.447 -11.492 0.710 1.00 0.00 C ATOM 0 H MET A 87 8.485 -7.917 -0.315 1.00 0.00 H new ATOM 0 HA MET A 87 8.509 -8.560 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.966 -10.622 1.256 1.00 0.00 H new ATOM 0 HB3 MET A 87 10.296 -9.809 0.455 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.439 -9.534 2.644 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.113 -10.362 3.436 1.00 0.00 H new ATOM 0 HE1 MET A 87 13.235 -12.235 0.583 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.802 -11.494 -0.169 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.895 -10.505 0.830 1.00 0.00 H new ATOM 1306 N VAL A 88 9.626 -6.258 2.286 1.00 0.00 N ATOM 1307 CA VAL A 88 10.464 -5.097 2.378 1.00 0.00 C ATOM 1308 C VAL A 88 10.082 -4.264 3.605 1.00 0.00 C ATOM 1309 O VAL A 88 8.925 -4.320 4.098 1.00 0.00 O ATOM 1310 CB VAL A 88 10.350 -4.253 1.081 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.935 -3.789 0.855 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.307 -3.086 1.093 1.00 0.00 C ATOM 0 H VAL A 88 8.697 -6.144 2.691 1.00 0.00 H new ATOM 0 HA VAL A 88 11.500 -5.415 2.491 1.00 0.00 H new ATOM 0 HB VAL A 88 10.628 -4.898 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.887 -3.200 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.278 -4.654 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.614 -3.176 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.199 -2.518 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.084 -2.442 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.329 -3.455 1.175 1.00 0.00 H new ATOM 1322 N THR A 89 11.052 -3.575 4.149 1.00 0.00 N ATOM 1323 CA THR A 89 10.868 -2.715 5.269 1.00 0.00 C ATOM 1324 C THR A 89 10.144 -1.460 4.871 1.00 0.00 C ATOM 1325 O THR A 89 10.132 -1.078 3.704 1.00 0.00 O ATOM 1326 CB THR A 89 12.219 -2.328 5.884 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.173 -2.140 4.843 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.704 -3.352 6.891 1.00 0.00 C ATOM 0 H THR A 89 12.013 -3.604 3.810 1.00 0.00 H new ATOM 0 HA THR A 89 10.273 -3.260 6.002 1.00 0.00 H new ATOM 0 HB THR A 89 12.091 -1.395 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.986 -2.648 5.048 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.664 -3.035 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.977 -3.440 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.820 -4.318 6.400 1.00 0.00 H new ATOM 1336 N HIS A 90 9.535 -0.834 5.850 1.00 0.00 N ATOM 1337 CA HIS A 90 8.885 0.448 5.670 1.00 0.00 C ATOM 1338 C HIS A 90 9.911 1.445 5.125 1.00 0.00 C ATOM 1339 O HIS A 90 9.636 2.167 4.190 1.00 0.00 O ATOM 1340 CB HIS A 90 8.341 0.920 7.032 1.00 0.00 C ATOM 1341 CG HIS A 90 7.557 2.204 7.025 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.208 2.274 7.279 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.952 3.476 6.793 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.829 3.536 7.179 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.851 4.319 6.892 1.00 0.00 N ATOM 0 H HIS A 90 9.475 -1.200 6.800 1.00 0.00 H new ATOM 0 HA HIS A 90 8.057 0.370 4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.706 0.133 7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.182 1.036 7.715 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.961 3.787 6.567 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.815 3.881 7.315 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.837 5.331 6.769 1.00 0.00 H new ATOM 1353 N ASP A 91 11.093 1.397 5.695 1.00 0.00 N ATOM 1354 CA ASP A 91 12.204 2.283 5.363 1.00 0.00 C ATOM 1355 C ASP A 91 12.595 2.181 3.899 1.00 0.00 C ATOM 1356 O ASP A 91 12.680 3.195 3.187 1.00 0.00 O ATOM 1357 CB ASP A 91 13.397 1.922 6.220 1.00 0.00 C ATOM 1358 CG ASP A 91 14.590 2.812 5.951 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.542 4.012 6.287 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.590 2.334 5.403 1.00 0.00 O ATOM 0 H ASP A 91 11.323 0.723 6.425 1.00 0.00 H new ATOM 0 HA ASP A 91 11.884 3.308 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.121 1.997 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.673 0.884 6.036 1.00 0.00 H new ATOM 1365 N GLN A 92 12.797 0.960 3.451 1.00 0.00 N ATOM 1366 CA GLN A 92 13.204 0.702 2.078 1.00 0.00 C ATOM 1367 C GLN A 92 12.078 1.007 1.113 1.00 0.00 C ATOM 1368 O GLN A 92 12.298 1.591 0.056 1.00 0.00 O ATOM 1369 CB GLN A 92 13.719 -0.736 1.906 1.00 0.00 C ATOM 1370 CG GLN A 92 15.248 -0.877 1.894 1.00 0.00 C ATOM 1371 CD GLN A 92 15.956 -0.410 3.162 1.00 0.00 C ATOM 1372 OE1 GLN A 92 17.086 0.076 3.103 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.355 -0.605 4.303 1.00 0.00 N ATOM 0 H GLN A 92 12.686 0.121 4.020 1.00 0.00 H new ATOM 0 HA GLN A 92 14.032 1.372 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.318 -1.349 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.324 -1.139 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.498 -1.924 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.642 -0.312 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.419 -1.009 4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.821 -0.353 5.175 1.00 0.00 H new ATOM 1382 N ALA A 93 10.867 0.658 1.509 1.00 0.00 N ATOM 1383 CA ALA A 93 9.688 0.908 0.703 1.00 0.00 C ATOM 1384 C ALA A 93 9.470 2.388 0.505 1.00 0.00 C ATOM 1385 O ALA A 93 9.174 2.834 -0.597 1.00 0.00 O ATOM 1386 CB ALA A 93 8.480 0.304 1.347 1.00 0.00 C ATOM 0 H ALA A 93 10.675 0.194 2.397 1.00 0.00 H new ATOM 0 HA ALA A 93 9.846 0.447 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.603 0.500 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.621 -0.772 1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.335 0.744 2.334 1.00 0.00 H new ATOM 1392 N ARG A 94 9.636 3.152 1.574 1.00 0.00 N ATOM 1393 CA ARG A 94 9.494 4.601 1.533 1.00 0.00 C ATOM 1394 C ARG A 94 10.419 5.199 0.473 1.00 0.00 C ATOM 1395 O ARG A 94 10.013 6.022 -0.328 1.00 0.00 O ATOM 1396 CB ARG A 94 9.774 5.213 2.921 1.00 0.00 C ATOM 1397 CG ARG A 94 8.646 5.062 3.919 1.00 0.00 C ATOM 1398 CD ARG A 94 7.474 5.978 3.615 1.00 0.00 C ATOM 1399 NE ARG A 94 7.778 7.392 3.917 1.00 0.00 N ATOM 1400 CZ ARG A 94 6.880 8.403 3.913 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.608 8.172 3.620 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.264 9.635 4.208 1.00 0.00 N ATOM 0 H ARG A 94 9.873 2.785 2.496 1.00 0.00 H new ATOM 0 HA ARG A 94 8.466 4.841 1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.670 4.749 3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.992 6.274 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.303 4.027 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.020 5.276 4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.204 5.883 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.608 5.662 4.196 1.00 0.00 H new ATOM 0 HE ARG A 94 8.744 7.625 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.300 7.226 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.937 8.940 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.239 9.824 4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.584 10.396 4.204 1.00 0.00 H new ATOM 1416 N LYS A 95 11.593 4.658 0.364 1.00 0.00 N ATOM 1417 CA LYS A 95 12.585 5.174 -0.549 1.00 0.00 C ATOM 1418 C LYS A 95 12.382 4.529 -1.938 1.00 0.00 C ATOM 1419 O LYS A 95 13.289 4.466 -2.750 1.00 0.00 O ATOM 1420 CB LYS A 95 13.987 4.878 0.005 1.00 0.00 C ATOM 1421 CG LYS A 95 15.087 5.812 -0.504 1.00 0.00 C ATOM 1422 CD LYS A 95 14.819 7.257 -0.067 1.00 0.00 C ATOM 1423 CE LYS A 95 15.971 8.192 -0.410 1.00 0.00 C ATOM 1424 NZ LYS A 95 16.193 8.323 -1.867 1.00 0.00 N ATOM 0 H LYS A 95 11.898 3.847 0.902 1.00 0.00 H new ATOM 0 HA LYS A 95 12.480 6.254 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.953 4.938 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.254 3.852 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.054 5.485 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.140 5.760 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.909 7.616 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.643 7.281 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.771 9.177 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.883 7.824 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.988 8.971 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.412 7.390 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.335 8.701 -2.316 1.00 0.00 H new ATOM 1438 N ARG A 96 11.159 4.086 -2.193 1.00 0.00 N ATOM 1439 CA ARG A 96 10.771 3.459 -3.449 1.00 0.00 C ATOM 1440 C ARG A 96 9.421 3.967 -3.915 1.00 0.00 C ATOM 1441 O ARG A 96 9.259 4.351 -5.062 1.00 0.00 O ATOM 1442 CB ARG A 96 10.760 1.923 -3.346 1.00 0.00 C ATOM 1443 CG ARG A 96 12.132 1.259 -3.315 1.00 0.00 C ATOM 1444 CD ARG A 96 12.828 1.356 -4.666 1.00 0.00 C ATOM 1445 NE ARG A 96 14.130 0.680 -4.673 1.00 0.00 N ATOM 1446 CZ ARG A 96 14.656 0.016 -5.723 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.975 -0.091 -6.877 1.00 0.00 N ATOM 1448 NH2 ARG A 96 15.860 -0.537 -5.621 1.00 0.00 N ATOM 0 H ARG A 96 10.395 4.153 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 96 11.522 3.735 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.218 1.640 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.201 1.523 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.749 1.732 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.024 0.211 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.190 0.918 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.965 2.405 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 96 14.682 0.715 -3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.051 0.332 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.382 -0.595 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.385 -0.459 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.259 -1.039 -6.414 1.00 0.00 H new ATOM 1462 N LEU A 97 8.472 3.983 -3.025 1.00 0.00 N ATOM 1463 CA LEU A 97 7.122 4.418 -3.368 1.00 0.00 C ATOM 1464 C LEU A 97 6.845 5.868 -3.025 1.00 0.00 C ATOM 1465 O LEU A 97 5.898 6.450 -3.498 1.00 0.00 O ATOM 1466 CB LEU A 97 6.100 3.490 -2.744 1.00 0.00 C ATOM 1467 CG LEU A 97 6.354 3.096 -1.300 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.167 4.252 -0.328 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.509 1.943 -0.929 1.00 0.00 C ATOM 0 H LEU A 97 8.594 3.702 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 97 7.038 4.361 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.122 3.967 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.049 2.582 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 97 7.402 2.806 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.362 3.908 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.860 5.055 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.144 4.622 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.701 1.670 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.459 2.209 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.743 1.097 -1.575 1.00 0.00 H new ATOM 1481 N THR A 98 7.605 6.425 -2.147 1.00 0.00 N ATOM 1482 CA THR A 98 7.414 7.823 -1.885 1.00 0.00 C ATOM 1483 C THR A 98 8.664 8.607 -2.236 1.00 0.00 C ATOM 1484 O THR A 98 8.787 9.796 -1.900 1.00 0.00 O ATOM 1485 CB THR A 98 6.868 8.124 -0.445 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.518 9.503 -0.303 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.863 7.785 0.609 1.00 0.00 C ATOM 0 H THR A 98 8.340 5.962 -1.612 1.00 0.00 H new ATOM 0 HA THR A 98 6.618 8.170 -2.543 1.00 0.00 H new ATOM 0 HB THR A 98 5.984 7.499 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.145 10.054 -0.816 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.444 8.009 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.106 6.724 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.768 8.374 0.458 1.00 0.00 H new ATOM 1495 N LYS A 99 9.588 7.943 -2.952 1.00 0.00 N ATOM 1496 CA LYS A 99 10.742 8.626 -3.508 1.00 0.00 C ATOM 1497 C LYS A 99 10.267 9.581 -4.632 1.00 0.00 C ATOM 1498 O LYS A 99 9.074 9.718 -4.875 1.00 0.00 O ATOM 1499 CB LYS A 99 11.743 7.632 -4.091 1.00 0.00 C ATOM 1500 CG LYS A 99 11.174 6.834 -5.244 1.00 0.00 C ATOM 1501 CD LYS A 99 12.248 6.406 -6.216 1.00 0.00 C ATOM 1502 CE LYS A 99 13.230 5.424 -5.628 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.242 5.007 -6.617 1.00 0.00 N ATOM 0 H LYS A 99 9.549 6.943 -3.152 1.00 0.00 H new ATOM 0 HA LYS A 99 11.233 9.183 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.628 8.171 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.067 6.948 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.662 5.953 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.428 7.433 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.778 5.958 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.789 7.288 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.725 5.875 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.694 4.547 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.782 4.201 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.770 4.727 -7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.889 5.799 -6.807 1.00 0.00 H new ATOM 1517 N ARG A 100 11.191 10.189 -5.337 1.00 0.00 N ATOM 1518 CA ARG A 100 10.816 11.184 -6.339 1.00 0.00 C ATOM 1519 C ARG A 100 11.550 10.963 -7.646 1.00 0.00 C ATOM 1520 O ARG A 100 11.452 11.767 -8.580 1.00 0.00 O ATOM 1521 CB ARG A 100 11.126 12.568 -5.793 1.00 0.00 C ATOM 1522 CG ARG A 100 12.569 12.702 -5.345 1.00 0.00 C ATOM 1523 CD ARG A 100 12.887 14.089 -4.851 1.00 0.00 C ATOM 1524 NE ARG A 100 12.691 15.127 -5.874 1.00 0.00 N ATOM 1525 CZ ARG A 100 13.015 16.412 -5.702 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.599 16.798 -4.590 1.00 0.00 N ATOM 1527 NH2 ARG A 100 12.764 17.299 -6.641 1.00 0.00 N ATOM 0 H ARG A 100 12.193 10.023 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 100 9.750 11.089 -6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.915 13.314 -6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.466 12.780 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.770 11.981 -4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.230 12.454 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.258 14.314 -3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.921 14.117 -4.507 1.00 0.00 H new ATOM 0 HE ARG A 100 12.284 14.850 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.805 16.117 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.847 17.779 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.318 17.008 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.016 18.277 -6.499 1.00 0.00 H new ATOM 1541 N SER A 101 12.264 9.886 -7.709 1.00 0.00 N ATOM 1542 CA SER A 101 13.075 9.572 -8.849 1.00 0.00 C ATOM 1543 C SER A 101 12.234 8.973 -9.975 1.00 0.00 C ATOM 1544 O SER A 101 12.412 9.306 -11.144 1.00 0.00 O ATOM 1545 CB SER A 101 14.124 8.611 -8.390 1.00 0.00 C ATOM 1546 OG SER A 101 14.734 9.103 -7.204 1.00 0.00 O ATOM 0 H SER A 101 12.304 9.190 -6.965 1.00 0.00 H new ATOM 0 HA SER A 101 13.533 10.475 -9.253 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.680 7.633 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.875 8.477 -9.169 1.00 0.00 H new ATOM 0 HG SER A 101 15.420 8.472 -6.903 1.00 0.00 H new ATOM 1552 N GLU A 102 11.309 8.123 -9.606 1.00 0.00 N ATOM 1553 CA GLU A 102 10.424 7.500 -10.571 1.00 0.00 C ATOM 1554 C GLU A 102 9.222 8.379 -10.783 1.00 0.00 C ATOM 1555 O GLU A 102 8.864 9.166 -9.899 1.00 0.00 O ATOM 1556 CB GLU A 102 9.970 6.088 -10.136 1.00 0.00 C ATOM 1557 CG GLU A 102 10.979 4.954 -10.363 1.00 0.00 C ATOM 1558 CD GLU A 102 12.240 5.048 -9.542 1.00 0.00 C ATOM 1559 OE1 GLU A 102 13.171 5.766 -9.930 1.00 0.00 O ATOM 1560 OE2 GLU A 102 12.334 4.365 -8.498 1.00 0.00 O ATOM 0 H GLU A 102 11.145 7.842 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 102 10.981 7.384 -11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.722 6.119 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.052 5.843 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.491 4.004 -10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.251 4.936 -11.418 1.00 0.00 H new ATOM 1567 N GLU A 103 8.634 8.296 -11.945 1.00 0.00 N ATOM 1568 CA GLU A 103 7.454 9.061 -12.230 1.00 0.00 C ATOM 1569 C GLU A 103 6.222 8.181 -12.184 1.00 0.00 C ATOM 1570 O GLU A 103 5.358 8.360 -11.350 1.00 0.00 O ATOM 1571 CB GLU A 103 7.568 9.847 -13.562 1.00 0.00 C ATOM 1572 CG GLU A 103 7.959 9.059 -14.787 1.00 0.00 C ATOM 1573 CD GLU A 103 8.087 9.938 -16.005 1.00 0.00 C ATOM 1574 OE1 GLU A 103 7.056 10.212 -16.658 1.00 0.00 O ATOM 1575 OE2 GLU A 103 9.205 10.395 -16.317 1.00 0.00 O ATOM 0 H GLU A 103 8.955 7.704 -12.711 1.00 0.00 H new ATOM 0 HA GLU A 103 7.352 9.814 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.608 10.324 -13.758 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.298 10.644 -13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.906 8.551 -14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.214 8.286 -14.974 1.00 0.00 H new ATOM 1582 N VAL A 104 6.166 7.233 -13.062 1.00 0.00 N ATOM 1583 CA VAL A 104 5.086 6.324 -13.132 1.00 0.00 C ATOM 1584 C VAL A 104 5.558 4.906 -12.904 1.00 0.00 C ATOM 1585 O VAL A 104 6.575 4.470 -13.457 1.00 0.00 O ATOM 1586 CB VAL A 104 4.254 6.496 -14.433 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.109 6.620 -15.651 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.238 5.395 -14.608 1.00 0.00 C ATOM 0 H VAL A 104 6.889 7.072 -13.763 1.00 0.00 H new ATOM 0 HA VAL A 104 4.397 6.559 -12.321 1.00 0.00 H new ATOM 0 HB VAL A 104 3.715 7.436 -14.316 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.475 6.738 -16.530 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.758 7.490 -15.553 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.718 5.723 -15.761 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.681 5.558 -15.531 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.749 4.433 -14.657 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.550 5.398 -13.763 1.00 0.00 H new ATOM 1598 N VAL A 105 4.849 4.218 -12.054 1.00 0.00 N ATOM 1599 CA VAL A 105 5.203 2.894 -11.615 1.00 0.00 C ATOM 1600 C VAL A 105 3.974 1.982 -11.617 1.00 0.00 C ATOM 1601 O VAL A 105 2.841 2.464 -11.516 1.00 0.00 O ATOM 1602 CB VAL A 105 5.757 2.954 -10.163 1.00 0.00 C ATOM 1603 CG1 VAL A 105 7.096 3.681 -10.107 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.765 3.675 -9.275 1.00 0.00 C ATOM 0 H VAL A 105 3.987 4.569 -11.636 1.00 0.00 H new ATOM 0 HA VAL A 105 5.956 2.500 -12.297 1.00 0.00 H new ATOM 0 HB VAL A 105 5.906 1.932 -9.816 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.454 3.705 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.820 3.158 -10.732 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.972 4.701 -10.472 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.152 3.718 -8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.612 4.688 -9.648 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.816 3.139 -9.280 1.00 0.00 H new ATOM 1614 N ARG A 106 4.191 0.680 -11.737 1.00 0.00 N ATOM 1615 CA ARG A 106 3.098 -0.271 -11.643 1.00 0.00 C ATOM 1616 C ARG A 106 3.221 -0.975 -10.335 1.00 0.00 C ATOM 1617 O ARG A 106 4.286 -1.480 -10.020 1.00 0.00 O ATOM 1618 CB ARG A 106 3.088 -1.306 -12.797 1.00 0.00 C ATOM 1619 CG ARG A 106 2.698 -0.726 -14.173 1.00 0.00 C ATOM 1620 CD ARG A 106 3.763 0.203 -14.741 1.00 0.00 C ATOM 1621 NE ARG A 106 3.241 1.077 -15.788 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.976 1.883 -16.557 1.00 0.00 C ATOM 1623 NH1 ARG A 106 5.296 1.801 -16.536 1.00 0.00 N ATOM 1624 NH2 ARG A 106 3.379 2.765 -17.357 1.00 0.00 N ATOM 0 H ARG A 106 5.107 0.262 -11.898 1.00 0.00 H new ATOM 0 HA ARG A 106 2.160 0.278 -11.720 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.078 -1.756 -12.874 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.393 -2.107 -12.544 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.525 -1.544 -14.872 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.758 -0.182 -14.080 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.176 0.812 -13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.583 -0.392 -15.144 1.00 0.00 H new ATOM 0 HE ARG A 106 2.233 1.071 -15.944 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.755 1.120 -15.931 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.855 2.418 -17.125 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.361 2.824 -17.381 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.940 3.381 -17.945 1.00 0.00 H new ATOM 1638 N LEU A 107 2.192 -0.981 -9.549 1.00 0.00 N ATOM 1639 CA LEU A 107 2.262 -1.616 -8.286 1.00 0.00 C ATOM 1640 C LEU A 107 1.219 -2.685 -8.293 1.00 0.00 C ATOM 1641 O LEU A 107 0.197 -2.539 -8.939 1.00 0.00 O ATOM 1642 CB LEU A 107 1.940 -0.611 -7.183 1.00 0.00 C ATOM 1643 CG LEU A 107 2.403 0.828 -7.419 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.822 1.730 -6.378 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.893 0.934 -7.399 1.00 0.00 C ATOM 0 H LEU A 107 1.294 -0.550 -9.767 1.00 0.00 H new ATOM 0 HA LEU A 107 3.257 -2.022 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.860 -0.602 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.388 -0.966 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 107 2.053 1.132 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.157 2.752 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.734 1.691 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.151 1.405 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.186 1.970 -7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.268 0.606 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.313 0.304 -8.183 1.00 0.00 H new ATOM 1657 N LEU A 108 1.472 -3.739 -7.641 1.00 0.00 N ATOM 1658 CA LEU A 108 0.525 -4.781 -7.529 1.00 0.00 C ATOM 1659 C LEU A 108 0.118 -4.917 -6.125 1.00 0.00 C ATOM 1660 O LEU A 108 0.957 -5.116 -5.238 1.00 0.00 O ATOM 1661 CB LEU A 108 1.023 -6.103 -8.073 1.00 0.00 C ATOM 1662 CG LEU A 108 0.593 -6.442 -9.497 1.00 0.00 C ATOM 1663 CD1 LEU A 108 1.267 -5.534 -10.519 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.843 -7.906 -9.813 1.00 0.00 C ATOM 0 H LEU A 108 2.354 -3.915 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.333 -4.510 -8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.112 -6.103 -8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.680 -6.898 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.481 -6.265 -9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.936 -5.806 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.999 -4.497 -10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.349 -5.649 -10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.526 -8.117 -10.834 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.906 -8.124 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.276 -8.529 -9.122 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.139 -4.794 -5.907 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.665 -4.859 -4.575 1.00 0.00 C ATOM 1678 C VAL A 109 -2.698 -5.942 -4.493 1.00 0.00 C ATOM 1679 O VAL A 109 -3.327 -6.292 -5.499 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.292 -3.509 -4.087 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.344 -2.345 -4.260 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.625 -3.213 -4.746 1.00 0.00 C ATOM 0 H VAL A 109 -1.837 -4.646 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.822 -5.074 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.476 -3.638 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.822 -1.431 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.437 -2.525 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.088 -2.238 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.014 -2.266 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.491 -3.148 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.330 -4.012 -4.515 1.00 0.00 H new ATOM 1692 N THR A 110 -2.853 -6.484 -3.344 1.00 0.00 N ATOM 1693 CA THR A 110 -3.866 -7.439 -3.115 1.00 0.00 C ATOM 1694 C THR A 110 -4.940 -6.790 -2.289 1.00 0.00 C ATOM 1695 O THR A 110 -4.649 -6.149 -1.263 1.00 0.00 O ATOM 1696 CB THR A 110 -3.329 -8.711 -2.429 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.549 -8.373 -1.271 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.484 -9.514 -3.382 1.00 0.00 C ATOM 0 H THR A 110 -2.275 -6.275 -2.530 1.00 0.00 H new ATOM 0 HA THR A 110 -4.270 -7.766 -4.073 1.00 0.00 H new ATOM 0 HB THR A 110 -4.187 -9.309 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.218 -9.193 -0.849 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.115 -10.407 -2.877 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.085 -9.806 -4.244 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.639 -8.911 -3.716 1.00 0.00 H new ATOM 1706 N ARG A 111 -6.157 -6.901 -2.733 1.00 0.00 N ATOM 1707 CA ARG A 111 -7.230 -6.277 -2.040 1.00 0.00 C ATOM 1708 C ARG A 111 -7.753 -7.197 -0.987 1.00 0.00 C ATOM 1709 O ARG A 111 -8.524 -8.098 -1.258 1.00 0.00 O ATOM 1710 CB ARG A 111 -8.310 -5.760 -2.982 1.00 0.00 C ATOM 1711 CG ARG A 111 -7.837 -4.584 -3.828 1.00 0.00 C ATOM 1712 CD ARG A 111 -8.942 -4.024 -4.702 1.00 0.00 C ATOM 1713 NE ARG A 111 -8.538 -2.763 -5.354 1.00 0.00 N ATOM 1714 CZ ARG A 111 -9.359 -1.939 -6.022 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -10.616 -2.281 -6.228 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -8.919 -0.783 -6.478 1.00 0.00 N ATOM 0 H ARG A 111 -6.425 -7.418 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.851 -5.385 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -8.632 -6.569 -3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -9.180 -5.457 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -7.460 -3.797 -3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -7.005 -4.902 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.211 -4.757 -5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -9.832 -3.852 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.555 -2.497 -5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -10.965 -3.173 -5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -11.239 -1.653 -6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.948 -0.510 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.549 -0.162 -6.985 1.00 0.00 H new ATOM 1730 N GLN A 112 -7.218 -7.017 0.190 1.00 0.00 N ATOM 1731 CA GLN A 112 -7.518 -7.845 1.334 1.00 0.00 C ATOM 1732 C GLN A 112 -8.517 -7.137 2.232 1.00 0.00 C ATOM 1733 O GLN A 112 -9.375 -7.766 2.847 1.00 0.00 O ATOM 1734 CB GLN A 112 -6.235 -8.077 2.143 1.00 0.00 C ATOM 1735 CG GLN A 112 -5.049 -8.639 1.361 1.00 0.00 C ATOM 1736 CD GLN A 112 -5.271 -10.038 0.826 1.00 0.00 C ATOM 1737 OE1 GLN A 112 -4.978 -11.018 1.497 1.00 0.00 O ATOM 1738 NE2 GLN A 112 -5.770 -10.146 -0.367 1.00 0.00 N ATOM 0 H GLN A 112 -6.546 -6.275 0.388 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.930 -8.792 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -5.934 -7.130 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.463 -8.760 2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -4.829 -7.973 0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.171 -8.643 2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.003 -9.308 -0.900 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -5.929 -11.069 -0.772 1.00 0.00 H new ATOM 1747 N SER A 113 -8.413 -5.821 2.273 1.00 0.00 N ATOM 1748 CA SER A 113 -9.201 -5.015 3.186 1.00 0.00 C ATOM 1749 C SER A 113 -10.371 -4.366 2.468 1.00 0.00 C ATOM 1750 O SER A 113 -11.173 -3.631 3.054 1.00 0.00 O ATOM 1751 CB SER A 113 -8.297 -3.989 3.910 1.00 0.00 C ATOM 1752 OG SER A 113 -9.017 -3.181 4.833 1.00 0.00 O ATOM 0 H SER A 113 -7.783 -5.284 1.677 1.00 0.00 H new ATOM 0 HA SER A 113 -9.632 -5.660 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.504 -4.518 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.816 -3.349 3.171 1.00 0.00 H new ATOM 0 HG SER A 113 -9.961 -3.148 4.572 1.00 0.00 H new ATOM 1758 N LEU A 114 -10.477 -4.670 1.235 1.00 0.00 N ATOM 1759 CA LEU A 114 -11.551 -4.180 0.423 1.00 0.00 C ATOM 1760 C LEU A 114 -11.896 -5.208 -0.602 1.00 0.00 C ATOM 1761 O LEU A 114 -11.149 -5.439 -1.551 1.00 0.00 O ATOM 1762 CB LEU A 114 -11.237 -2.833 -0.235 1.00 0.00 C ATOM 1763 CG LEU A 114 -12.402 -2.212 -1.020 1.00 0.00 C ATOM 1764 CD1 LEU A 114 -13.603 -2.002 -0.116 1.00 0.00 C ATOM 1765 CD2 LEU A 114 -11.990 -0.901 -1.663 1.00 0.00 C ATOM 0 H LEU A 114 -9.819 -5.273 0.741 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.407 -4.001 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.923 -2.131 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.391 -2.963 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 114 -12.679 -2.907 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.418 -1.561 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.923 -2.961 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -13.331 -1.333 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.834 -0.484 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.677 -0.199 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.162 -1.077 -2.350 1.00 0.00 H new ATOM 1777 N GLN A 115 -12.996 -5.844 -0.382 1.00 0.00 N ATOM 1778 CA GLN A 115 -13.452 -6.898 -1.223 1.00 0.00 C ATOM 1779 C GLN A 115 -14.306 -6.347 -2.354 1.00 0.00 C ATOM 1780 O GLN A 115 -13.817 -6.168 -3.478 1.00 0.00 O ATOM 1781 CB GLN A 115 -14.236 -7.916 -0.390 1.00 0.00 C ATOM 1782 CG GLN A 115 -13.427 -8.508 0.755 1.00 0.00 C ATOM 1783 CD GLN A 115 -14.238 -9.399 1.681 1.00 0.00 C ATOM 1784 OE1 GLN A 115 -15.504 -9.081 1.877 1.00 0.00 O flip ATOM 1785 NE2 GLN A 115 -13.706 -10.348 2.254 1.00 0.00 N flip ATOM 0 H GLN A 115 -13.616 -5.642 0.403 1.00 0.00 H new ATOM 0 HA GLN A 115 -12.592 -7.398 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -15.127 -7.435 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -14.576 -8.722 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -12.600 -9.086 0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.990 -7.696 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -12.725 -10.565 2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -14.246 -10.918 2.905 1.00 0.00 H new ATOM 1794 N LYS A 116 -15.576 -6.022 -2.033 1.00 0.00 N ATOM 1795 CA LYS A 116 -16.582 -5.574 -3.017 1.00 0.00 C ATOM 1796 C LYS A 116 -16.600 -6.550 -4.187 1.00 0.00 C ATOM 1797 O LYS A 116 -16.763 -6.154 -5.372 1.00 0.00 O ATOM 1798 CB LYS A 116 -16.305 -4.135 -3.501 1.00 0.00 C ATOM 1799 CG LYS A 116 -16.326 -3.066 -2.412 1.00 0.00 C ATOM 1800 CD LYS A 116 -17.658 -3.037 -1.679 1.00 0.00 C ATOM 1801 CE LYS A 116 -17.727 -1.897 -0.665 1.00 0.00 C ATOM 1802 NZ LYS A 116 -17.700 -0.568 -1.322 1.00 0.00 N ATOM 0 H LYS A 116 -15.933 -6.064 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.561 -5.561 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.330 -4.114 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.045 -3.875 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -15.523 -3.256 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.134 -2.090 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.467 -2.930 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.811 -3.987 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.638 -1.991 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -16.889 -1.976 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -17.984 0.163 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -16.738 -0.369 -1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -18.360 -0.565 -2.126 1.00 0.00 H new ATOM 1816 N ALA A 117 -16.483 -7.824 -3.824 1.00 0.00 N ATOM 1817 CA ALA A 117 -16.330 -8.919 -4.750 1.00 0.00 C ATOM 1818 C ALA A 117 -17.481 -9.025 -5.701 1.00 0.00 C ATOM 1819 O ALA A 117 -18.643 -8.809 -5.322 1.00 0.00 O ATOM 1820 CB ALA A 117 -16.128 -10.226 -4.015 1.00 0.00 C ATOM 0 H ALA A 117 -16.493 -8.121 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.439 -8.708 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.015 -11.035 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -15.231 -10.162 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.992 -10.424 -3.380 1.00 0.00 H new ATOM 1826 N VAL A 118 -17.131 -9.339 -6.941 1.00 0.00 N ATOM 1827 CA VAL A 118 -18.039 -9.493 -8.083 1.00 0.00 C ATOM 1828 C VAL A 118 -19.058 -8.336 -8.182 1.00 0.00 C ATOM 1829 O VAL A 118 -20.222 -8.485 -8.574 1.00 0.00 O ATOM 1830 CB VAL A 118 -18.665 -10.940 -8.186 1.00 0.00 C ATOM 1831 CG1 VAL A 118 -19.636 -11.279 -7.062 1.00 0.00 C ATOM 1832 CG2 VAL A 118 -19.267 -11.206 -9.559 1.00 0.00 C ATOM 0 H VAL A 118 -16.157 -9.503 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 118 -17.432 -9.407 -8.984 1.00 0.00 H new ATOM 0 HB VAL A 118 -17.826 -11.624 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -20.021 -12.289 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -19.119 -11.221 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -20.464 -10.570 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -19.686 -12.212 -9.584 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -20.055 -10.480 -9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -18.492 -11.117 -10.320 1.00 0.00 H new ATOM 1842 N GLN A 119 -18.557 -7.177 -7.884 1.00 0.00 N ATOM 1843 CA GLN A 119 -19.325 -5.958 -7.903 1.00 0.00 C ATOM 1844 C GLN A 119 -18.500 -4.842 -8.506 1.00 0.00 C ATOM 1845 O GLN A 119 -18.841 -4.323 -9.554 1.00 0.00 O ATOM 1846 CB GLN A 119 -19.786 -5.578 -6.496 1.00 0.00 C ATOM 1847 CG GLN A 119 -20.566 -4.272 -6.439 1.00 0.00 C ATOM 1848 CD GLN A 119 -20.983 -3.886 -5.039 1.00 0.00 C ATOM 1849 OE1 GLN A 119 -20.203 -4.259 -4.060 1.00 0.00 O flip ATOM 1850 NE2 GLN A 119 -22.004 -3.237 -4.843 1.00 0.00 N flip ATOM 0 H GLN A 119 -17.582 -7.043 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 119 -20.213 -6.118 -8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -20.408 -6.380 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -18.914 -5.499 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -19.956 -3.474 -6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -21.455 -4.360 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -22.592 -2.961 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -22.266 -2.973 -3.893 1.00 0.00 H new ATOM 1859 N GLN A 120 -17.386 -4.490 -7.855 1.00 0.00 N ATOM 1860 CA GLN A 120 -16.533 -3.414 -8.378 1.00 0.00 C ATOM 1861 C GLN A 120 -15.733 -3.918 -9.568 1.00 0.00 C ATOM 1862 O GLN A 120 -15.230 -3.152 -10.381 1.00 0.00 O ATOM 1863 CB GLN A 120 -15.610 -2.830 -7.296 1.00 0.00 C ATOM 1864 CG GLN A 120 -14.590 -3.799 -6.695 1.00 0.00 C ATOM 1865 CD GLN A 120 -13.666 -3.101 -5.714 1.00 0.00 C ATOM 1866 OE1 GLN A 120 -13.397 -1.922 -5.849 1.00 0.00 O ATOM 1867 NE2 GLN A 120 -13.166 -3.808 -4.731 1.00 0.00 N ATOM 0 H GLN A 120 -17.059 -4.919 -6.989 1.00 0.00 H new ATOM 0 HA GLN A 120 -17.181 -2.602 -8.707 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -15.071 -1.984 -7.723 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -16.230 -2.439 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -15.113 -4.610 -6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -14.000 -4.249 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -13.407 -4.795 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.536 -3.372 -4.058 1.00 0.00 H new ATOM 1876 N SER A 121 -15.629 -5.209 -9.637 1.00 0.00 N ATOM 1877 CA SER A 121 -15.009 -5.898 -10.700 1.00 0.00 C ATOM 1878 C SER A 121 -15.613 -7.280 -10.681 1.00 0.00 C ATOM 1879 O SER A 121 -15.813 -7.846 -9.595 1.00 0.00 O ATOM 1880 CB SER A 121 -13.478 -5.956 -10.482 1.00 0.00 C ATOM 1881 OG SER A 121 -12.805 -6.539 -11.589 1.00 0.00 O ATOM 0 H SER A 121 -15.995 -5.830 -8.915 1.00 0.00 H new ATOM 0 HA SER A 121 -15.167 -5.406 -11.660 1.00 0.00 H new ATOM 0 HB2 SER A 121 -13.097 -4.948 -10.316 1.00 0.00 H new ATOM 0 HB3 SER A 121 -13.261 -6.531 -9.582 1.00 0.00 H new ATOM 0 HG SER A 121 -11.841 -6.556 -11.414 1.00 0.00 H new ATOM 1887 N MET A 122 -15.992 -7.782 -11.819 1.00 0.00 N ATOM 1888 CA MET A 122 -16.546 -9.108 -11.895 1.00 0.00 C ATOM 1889 C MET A 122 -15.576 -10.007 -12.620 1.00 0.00 C ATOM 1890 O MET A 122 -14.584 -9.534 -13.184 1.00 0.00 O ATOM 1891 CB MET A 122 -17.955 -9.146 -12.553 1.00 0.00 C ATOM 1892 CG MET A 122 -18.032 -8.738 -14.030 1.00 0.00 C ATOM 1893 SD MET A 122 -17.689 -6.991 -14.324 1.00 0.00 S ATOM 1894 CE MET A 122 -17.882 -6.919 -16.109 1.00 0.00 C ATOM 0 H MET A 122 -15.929 -7.294 -12.712 1.00 0.00 H new ATOM 0 HA MET A 122 -16.692 -9.468 -10.877 1.00 0.00 H new ATOM 0 HB2 MET A 122 -18.349 -10.158 -12.458 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.615 -8.492 -11.983 1.00 0.00 H new ATOM 0 HG2 MET A 122 -17.323 -9.338 -14.600 1.00 0.00 H new ATOM 0 HG3 MET A 122 -19.026 -8.972 -14.410 1.00 0.00 H new ATOM 0 HE1 MET A 122 -17.932 -5.878 -16.428 1.00 0.00 H new ATOM 0 HE2 MET A 122 -17.031 -7.404 -16.587 1.00 0.00 H new ATOM 0 HE3 MET A 122 -18.800 -7.431 -16.397 1.00 0.00 H new ATOM 1904 N LEU A 123 -15.832 -11.285 -12.602 1.00 0.00 N ATOM 1905 CA LEU A 123 -14.953 -12.216 -13.249 1.00 0.00 C ATOM 1906 C LEU A 123 -15.357 -12.357 -14.712 1.00 0.00 C ATOM 1907 O LEU A 123 -16.200 -13.188 -15.069 1.00 0.00 O ATOM 1908 CB LEU A 123 -14.976 -13.566 -12.520 1.00 0.00 C ATOM 1909 CG LEU A 123 -14.002 -14.631 -13.014 1.00 0.00 C ATOM 1910 CD1 LEU A 123 -12.557 -14.179 -12.831 1.00 0.00 C ATOM 1911 CD2 LEU A 123 -14.250 -15.936 -12.290 1.00 0.00 C ATOM 0 H LEU A 123 -16.642 -11.705 -12.146 1.00 0.00 H new ATOM 0 HA LEU A 123 -13.929 -11.845 -13.210 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -14.775 -13.385 -11.464 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -15.986 -13.971 -12.587 1.00 0.00 H new ATOM 0 HG LEU A 123 -14.170 -14.783 -14.080 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.884 -14.957 -13.191 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -12.388 -13.263 -13.396 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -12.365 -13.994 -11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.550 -16.690 -12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -14.109 -15.791 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -15.271 -16.269 -12.479 1.00 0.00 H new ATOM 1923 N SER A 124 -14.842 -11.477 -15.524 1.00 0.00 N ATOM 1924 CA SER A 124 -15.108 -11.435 -16.938 1.00 0.00 C ATOM 1925 C SER A 124 -13.879 -10.864 -17.640 1.00 0.00 C ATOM 1926 O SER A 124 -13.693 -9.634 -17.635 1.00 0.00 O ATOM 1927 CB SER A 124 -16.347 -10.566 -17.212 1.00 0.00 C ATOM 1928 OG SER A 124 -17.460 -11.036 -16.451 1.00 0.00 O ATOM 1929 OXT SER A 124 -13.061 -11.650 -18.147 1.00 0.00 O ATOM 0 H SER A 124 -14.205 -10.745 -15.212 1.00 0.00 H new ATOM 0 HA SER A 124 -15.311 -12.437 -17.317 1.00 0.00 H new ATOM 0 HB2 SER A 124 -16.135 -9.528 -16.956 1.00 0.00 H new ATOM 0 HB3 SER A 124 -16.588 -10.590 -18.275 1.00 0.00 H new ATOM 0 HG SER A 124 -18.242 -10.474 -16.633 1.00 0.00 H new TER 1935 SER A 124