USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 995 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 59 THR OG1 : rot 180:sc= 1.02 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -142:sc= 1.15 (180deg=-0.634) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0.131 USER MOD Set 2.2: A 31 GLN : amide:sc= -1.99 K(o=-1.9,f=0.095) USER MOD Set 3.1: A 17 SER OG : rot -1:sc= 0.303 USER MOD Set 3.2: A 98 MET CE :methyl -175:sc= -1.03 (180deg=-0.855) USER MOD Set 4.1: A 9 TYR OH : rot -53:sc= 0.902 USER MOD Set 4.2: A 11 GLN : amide:sc= 0.905 K(o=1.8,f=-0.84) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 60:sc= 0.267 USER MOD Single : A 16 THR OG1 : rot 80:sc= 0.118 USER MOD Single : A 20 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.48) USER MOD Single : A 26 ASN : amide:sc= -0.742 K(o=-0.74,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0.444 (180deg=0.443) USER MOD Single : A 36 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.086) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 1.27 (180deg=0.974) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= -0.024 (180deg=-0.798) USER MOD Single : A 44 TYR OH : rot 180:sc= 1.28 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 167:sc= -0.299 (180deg=-0.713) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -145:sc= 1.29 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -140:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.1!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0071) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -163:sc= -0.0545 (180deg=-0.625) USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00388) USER MOD Single : A 77 SER OG : rot 30:sc= 0.0212 USER MOD Single : A 83 GLN : amide:sc= -0.149 K(o=-0.15,f=-3.8!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 105 SER OG : rot 29:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.417 K(o=0.42,f=-0.5) USER MOD Single : A 112 SER OG : rot 85:sc= 1.29 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -34:sc= 0.161 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 90:sc= 0.168 USER MOD Single : A 121 GLN : amide:sc= -0.45 K(o=-0.45,f=-2) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.928 10.074 0.185 1.00 0.00 N ATOM 34 CA ALA A 4 -19.934 9.030 0.403 1.00 0.00 C ATOM 35 C ALA A 4 -19.845 8.126 -0.835 1.00 0.00 C ATOM 36 O ALA A 4 -20.324 6.985 -0.819 1.00 0.00 O ATOM 37 CB ALA A 4 -20.293 8.239 1.667 1.00 0.00 C ATOM 0 HA ALA A 4 -18.951 9.475 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.550 7.458 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.308 8.911 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.276 7.785 1.545 1.00 0.00 H new ATOM 43 N LEU A 5 -19.249 8.639 -1.913 1.00 0.00 N ATOM 44 CA LEU A 5 -18.976 7.886 -3.133 1.00 0.00 C ATOM 45 C LEU A 5 -18.179 6.620 -2.801 1.00 0.00 C ATOM 46 O LEU A 5 -17.329 6.643 -1.904 1.00 0.00 O ATOM 47 CB LEU A 5 -18.175 8.712 -4.159 1.00 0.00 C ATOM 48 CG LEU A 5 -18.776 10.057 -4.583 1.00 0.00 C ATOM 49 CD1 LEU A 5 -17.786 10.836 -5.455 1.00 0.00 C ATOM 50 CD2 LEU A 5 -20.058 9.817 -5.380 1.00 0.00 C ATOM 0 H LEU A 5 -18.937 9.609 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.941 7.631 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.184 8.898 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -18.039 8.104 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 5 -18.996 10.636 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.229 11.788 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.871 11.019 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.553 10.256 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.484 10.774 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.830 9.227 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.776 9.279 -4.761 1.00 0.00 H new ATOM 62 N PRO A 6 -18.393 5.525 -3.539 1.00 0.00 N ATOM 63 CA PRO A 6 -17.591 4.326 -3.408 1.00 0.00 C ATOM 64 C PRO A 6 -16.204 4.573 -3.995 1.00 0.00 C ATOM 65 O PRO A 6 -15.989 5.508 -4.766 1.00 0.00 O ATOM 66 CB PRO A 6 -18.351 3.263 -4.193 1.00 0.00 C ATOM 67 CG PRO A 6 -19.000 4.062 -5.317 1.00 0.00 C ATOM 68 CD PRO A 6 -19.270 5.433 -4.688 1.00 0.00 C ATOM 0 HA PRO A 6 -17.441 4.020 -2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.683 2.493 -4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -19.094 2.760 -3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.341 4.142 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.921 3.592 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.068 6.235 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.314 5.527 -4.390 1.00 0.00 H new ATOM 76 N LEU A 7 -15.276 3.689 -3.650 1.00 0.00 N ATOM 77 CA LEU A 7 -13.884 3.711 -4.075 1.00 0.00 C ATOM 78 C LEU A 7 -13.760 3.824 -5.592 1.00 0.00 C ATOM 79 O LEU A 7 -14.236 2.936 -6.299 1.00 0.00 O ATOM 80 CB LEU A 7 -13.233 2.430 -3.560 1.00 0.00 C ATOM 81 CG LEU A 7 -11.787 2.193 -4.017 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.863 3.275 -3.464 1.00 0.00 C ATOM 83 CD2 LEU A 7 -11.319 0.823 -3.529 1.00 0.00 C ATOM 0 H LEU A 7 -15.485 2.901 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.380 4.587 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.253 2.446 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.840 1.582 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.753 2.230 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.843 3.089 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.190 4.251 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.895 3.259 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.292 0.653 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.367 0.789 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.964 0.049 -3.945 1.00 0.00 H new ATOM 95 N TYR A 8 -13.074 4.857 -6.078 1.00 0.00 N ATOM 96 CA TYR A 8 -12.869 5.121 -7.498 1.00 0.00 C ATOM 97 C TYR A 8 -11.401 5.086 -7.941 1.00 0.00 C ATOM 98 O TYR A 8 -11.158 5.202 -9.143 1.00 0.00 O ATOM 99 CB TYR A 8 -13.559 6.435 -7.891 1.00 0.00 C ATOM 100 CG TYR A 8 -13.353 7.628 -6.972 1.00 0.00 C ATOM 101 CD1 TYR A 8 -12.194 8.422 -7.064 1.00 0.00 C ATOM 102 CD2 TYR A 8 -14.374 8.001 -6.082 1.00 0.00 C ATOM 103 CE1 TYR A 8 -12.073 9.588 -6.280 1.00 0.00 C ATOM 104 CE2 TYR A 8 -14.258 9.149 -5.285 1.00 0.00 C ATOM 105 CZ TYR A 8 -13.099 9.947 -5.375 1.00 0.00 C ATOM 106 OH TYR A 8 -12.994 11.056 -4.593 1.00 0.00 O ATOM 0 H TYR A 8 -12.633 5.553 -5.476 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.333 4.297 -8.040 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.215 6.713 -8.887 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.630 6.246 -7.964 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.397 8.138 -7.735 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.264 7.393 -6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.194 10.209 -6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.052 9.421 -4.606 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.796 11.141 -4.036 1.00 0.00 H new ATOM 116 N TYR A 9 -10.432 4.925 -7.031 1.00 0.00 N ATOM 117 CA TYR A 9 -9.004 5.004 -7.347 1.00 0.00 C ATOM 118 C TYR A 9 -8.176 4.105 -6.441 1.00 0.00 C ATOM 119 O TYR A 9 -8.408 4.074 -5.229 1.00 0.00 O ATOM 120 CB TYR A 9 -8.540 6.437 -7.124 1.00 0.00 C ATOM 121 CG TYR A 9 -7.062 6.702 -7.338 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.594 7.047 -8.617 1.00 0.00 C ATOM 123 CD2 TYR A 9 -6.157 6.647 -6.258 1.00 0.00 C ATOM 124 CE1 TYR A 9 -5.246 7.383 -8.820 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.814 7.006 -6.447 1.00 0.00 C ATOM 126 CZ TYR A 9 -4.351 7.382 -7.730 1.00 0.00 C ATOM 127 OH TYR A 9 -3.060 7.781 -7.896 1.00 0.00 O ATOM 0 H TYR A 9 -10.621 4.735 -6.047 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.868 4.684 -8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.105 7.088 -7.791 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.796 6.726 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.278 7.054 -9.453 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.498 6.328 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.895 7.642 -9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.131 6.995 -5.610 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.654 7.277 -8.632 1.00 0.00 H new ATOM 137 N LEU A 10 -7.135 3.485 -7.002 1.00 0.00 N ATOM 138 CA LEU A 10 -6.084 2.794 -6.268 1.00 0.00 C ATOM 139 C LEU A 10 -4.743 3.346 -6.695 1.00 0.00 C ATOM 140 O LEU A 10 -4.547 3.661 -7.868 1.00 0.00 O ATOM 141 CB LEU A 10 -6.071 1.303 -6.623 1.00 0.00 C ATOM 142 CG LEU A 10 -6.622 0.334 -5.573 1.00 0.00 C ATOM 143 CD1 LEU A 10 -5.745 0.066 -4.349 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.932 0.780 -5.004 1.00 0.00 C ATOM 0 H LEU A 10 -7.001 3.452 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.266 2.933 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.643 1.168 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.043 1.016 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.691 -0.576 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.251 -0.636 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.794 -0.359 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.565 1.001 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.274 0.055 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.809 1.753 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.668 0.858 -5.804 1.00 0.00 H new ATOM 156 N GLN A 11 -3.795 3.300 -5.763 1.00 0.00 N ATOM 157 CA GLN A 11 -2.367 3.451 -6.004 1.00 0.00 C ATOM 158 C GLN A 11 -1.612 3.236 -4.691 1.00 0.00 C ATOM 159 O GLN A 11 -2.040 3.705 -3.638 1.00 0.00 O ATOM 160 CB GLN A 11 -2.049 4.857 -6.538 1.00 0.00 C ATOM 161 CG GLN A 11 -1.026 4.882 -7.687 1.00 0.00 C ATOM 162 CD GLN A 11 -1.658 5.082 -9.072 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.636 6.181 -9.620 1.00 0.00 O ATOM 164 NE2 GLN A 11 -2.262 4.072 -9.676 1.00 0.00 N ATOM 0 H GLN A 11 -4.013 3.150 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.059 2.715 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.974 5.320 -6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.671 5.468 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.309 5.683 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.467 3.946 -7.684 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.288 3.154 -9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.702 4.211 -10.586 1.00 0.00 H new ATOM 173 N ILE A 12 -0.500 2.501 -4.740 1.00 0.00 N ATOM 174 CA ILE A 12 0.363 2.251 -3.580 1.00 0.00 C ATOM 175 C ILE A 12 0.873 3.542 -2.897 1.00 0.00 C ATOM 176 O ILE A 12 0.945 3.548 -1.671 1.00 0.00 O ATOM 177 CB ILE A 12 1.504 1.279 -3.967 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.975 -0.069 -4.524 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.420 1.002 -2.764 1.00 0.00 C ATOM 180 CD1 ILE A 12 0.289 -1.003 -3.515 1.00 0.00 C ATOM 0 H ILE A 12 -0.168 2.056 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.247 1.770 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 12 2.070 1.773 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.268 0.146 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.811 -0.605 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.214 0.317 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.859 1.938 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.837 0.555 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.037 -1.911 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.992 -1.262 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.575 -0.499 -3.082 1.00 0.00 H new ATOM 192 N THR A 13 1.197 4.615 -3.633 1.00 0.00 N ATOM 193 CA THR A 13 1.569 5.946 -3.119 1.00 0.00 C ATOM 194 C THR A 13 2.910 6.016 -2.372 1.00 0.00 C ATOM 195 O THR A 13 3.773 6.799 -2.779 1.00 0.00 O ATOM 196 CB THR A 13 0.421 6.550 -2.290 1.00 0.00 C ATOM 197 OG1 THR A 13 -0.832 6.354 -2.907 1.00 0.00 O ATOM 198 CG2 THR A 13 0.518 8.052 -2.059 1.00 0.00 C ATOM 0 H THR A 13 1.208 4.579 -4.652 1.00 0.00 H new ATOM 0 HA THR A 13 1.734 6.556 -4.007 1.00 0.00 H new ATOM 0 HB THR A 13 0.512 6.025 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.000 5.394 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.334 8.385 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.442 8.279 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.516 8.569 -3.019 1.00 0.00 H new ATOM 206 N GLY A 14 3.113 5.255 -1.302 1.00 0.00 N ATOM 207 CA GLY A 14 4.352 5.214 -0.544 1.00 0.00 C ATOM 208 C GLY A 14 4.560 3.805 -0.019 1.00 0.00 C ATOM 209 O GLY A 14 3.595 3.050 0.164 1.00 0.00 O ATOM 0 H GLY A 14 2.396 4.632 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.190 5.509 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.312 5.923 0.283 1.00 0.00 H new ATOM 213 N ILE A 15 5.816 3.446 0.228 1.00 0.00 N ATOM 214 CA ILE A 15 6.190 2.130 0.705 1.00 0.00 C ATOM 215 C ILE A 15 7.390 2.293 1.623 1.00 0.00 C ATOM 216 O ILE A 15 8.235 3.152 1.390 1.00 0.00 O ATOM 217 CB ILE A 15 6.459 1.223 -0.510 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.426 -0.259 -0.111 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.756 1.581 -1.267 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.391 -1.167 -1.345 1.00 0.00 C ATOM 0 H ILE A 15 6.609 4.074 0.099 1.00 0.00 H new ATOM 0 HA ILE A 15 5.398 1.652 1.281 1.00 0.00 H new ATOM 0 HB ILE A 15 5.647 1.405 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.303 -0.495 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.551 -0.451 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.884 0.903 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.693 2.606 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.608 1.487 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.368 -2.210 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.500 -0.947 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.279 -0.991 -1.951 1.00 0.00 H new ATOM 232 N THR A 16 7.485 1.455 2.642 1.00 0.00 N ATOM 233 CA THR A 16 8.674 1.355 3.464 1.00 0.00 C ATOM 234 C THR A 16 8.663 0.004 4.171 1.00 0.00 C ATOM 235 O THR A 16 7.831 -0.855 3.883 1.00 0.00 O ATOM 236 CB THR A 16 8.796 2.570 4.401 1.00 0.00 C ATOM 237 OG1 THR A 16 10.081 2.558 4.983 1.00 0.00 O ATOM 238 CG2 THR A 16 7.741 2.643 5.509 1.00 0.00 C ATOM 0 H THR A 16 6.735 0.823 2.921 1.00 0.00 H new ATOM 0 HA THR A 16 9.577 1.388 2.855 1.00 0.00 H new ATOM 0 HB THR A 16 8.628 3.451 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.732 2.920 4.346 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.911 3.533 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.748 2.692 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.812 1.756 6.138 1.00 0.00 H new ATOM 246 N SER A 17 9.605 -0.252 5.071 1.00 0.00 N ATOM 247 CA SER A 17 9.678 -1.488 5.827 1.00 0.00 C ATOM 248 C SER A 17 10.324 -1.226 7.179 1.00 0.00 C ATOM 249 O SER A 17 10.908 -0.163 7.410 1.00 0.00 O ATOM 250 CB SER A 17 10.449 -2.524 5.008 1.00 0.00 C ATOM 251 OG SER A 17 9.758 -2.759 3.796 1.00 0.00 O ATOM 0 H SER A 17 10.350 0.407 5.297 1.00 0.00 H new ATOM 0 HA SER A 17 8.680 -1.882 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.458 -2.167 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.548 -3.452 5.571 1.00 0.00 H new ATOM 0 HG SER A 17 8.939 -2.221 3.777 1.00 0.00 H new ATOM 257 N ASP A 18 10.180 -2.190 8.084 1.00 0.00 N ATOM 258 CA ASP A 18 10.586 -2.052 9.482 1.00 0.00 C ATOM 259 C ASP A 18 12.097 -1.878 9.612 1.00 0.00 C ATOM 260 O ASP A 18 12.564 -1.120 10.461 1.00 0.00 O ATOM 261 CB ASP A 18 10.068 -3.259 10.271 1.00 0.00 C ATOM 262 CG ASP A 18 9.844 -2.969 11.753 1.00 0.00 C ATOM 263 OD1 ASP A 18 8.952 -2.153 12.073 1.00 0.00 O ATOM 264 OD2 ASP A 18 10.402 -3.696 12.607 1.00 0.00 O ATOM 0 H ASP A 18 9.774 -3.100 7.866 1.00 0.00 H new ATOM 0 HA ASP A 18 10.145 -1.147 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.130 -3.596 9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.779 -4.079 10.173 1.00 0.00 H new ATOM 269 N GLY A 19 12.856 -2.485 8.697 1.00 0.00 N ATOM 270 CA GLY A 19 14.287 -2.290 8.578 1.00 0.00 C ATOM 271 C GLY A 19 14.696 -1.105 7.694 1.00 0.00 C ATOM 272 O GLY A 19 15.817 -1.150 7.195 1.00 0.00 O ATOM 0 H GLY A 19 12.478 -3.136 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.705 -2.145 9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.733 -3.199 8.174 1.00 0.00 H new ATOM 276 N ASN A 20 13.850 -0.093 7.430 1.00 0.00 N ATOM 277 CA ASN A 20 14.217 1.040 6.559 1.00 0.00 C ATOM 278 C ASN A 20 14.019 2.425 7.186 1.00 0.00 C ATOM 279 O ASN A 20 13.855 3.404 6.456 1.00 0.00 O ATOM 280 CB ASN A 20 13.533 0.969 5.174 1.00 0.00 C ATOM 281 CG ASN A 20 14.513 1.356 4.069 1.00 0.00 C ATOM 282 OD1 ASN A 20 15.451 2.127 4.275 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.382 0.768 2.892 1.00 0.00 N ATOM 0 H ASN A 20 12.904 -0.036 7.808 1.00 0.00 H new ATOM 0 HA ASN A 20 15.292 0.923 6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 20 13.159 -0.040 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.672 1.636 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.059 0.952 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.604 0.130 2.724 1.00 0.00 H new ATOM 290 N ASP A 21 13.993 2.555 8.516 1.00 0.00 N ATOM 291 CA ASP A 21 13.820 3.863 9.195 1.00 0.00 C ATOM 292 C ASP A 21 12.451 4.487 8.872 1.00 0.00 C ATOM 293 O ASP A 21 12.232 5.691 9.017 1.00 0.00 O ATOM 294 CB ASP A 21 14.978 4.827 8.855 1.00 0.00 C ATOM 295 CG ASP A 21 15.379 5.731 10.028 1.00 0.00 C ATOM 296 OD1 ASP A 21 14.599 6.614 10.443 1.00 0.00 O ATOM 297 OD2 ASP A 21 16.534 5.546 10.487 1.00 0.00 O ATOM 0 H ASP A 21 14.090 1.768 9.157 1.00 0.00 H new ATOM 0 HA ASP A 21 13.848 3.684 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.845 4.246 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.687 5.449 8.009 1.00 0.00 H new ATOM 302 N PHE A 22 11.531 3.649 8.380 1.00 0.00 N ATOM 303 CA PHE A 22 10.197 3.987 7.921 1.00 0.00 C ATOM 304 C PHE A 22 10.260 5.062 6.810 1.00 0.00 C ATOM 305 O PHE A 22 9.364 5.904 6.706 1.00 0.00 O ATOM 306 CB PHE A 22 9.286 4.326 9.125 1.00 0.00 C ATOM 307 CG PHE A 22 8.990 3.238 10.173 1.00 0.00 C ATOM 308 CD1 PHE A 22 9.966 2.333 10.655 1.00 0.00 C ATOM 309 CD2 PHE A 22 7.708 3.188 10.757 1.00 0.00 C ATOM 310 CE1 PHE A 22 9.656 1.396 11.654 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.408 2.284 11.790 1.00 0.00 C ATOM 312 CZ PHE A 22 8.376 1.368 12.224 1.00 0.00 C ATOM 0 H PHE A 22 11.721 2.651 8.290 1.00 0.00 H new ATOM 0 HA PHE A 22 9.727 3.126 7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.734 5.171 9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.330 4.667 8.727 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.966 2.364 10.248 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.940 3.859 10.403 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.407 0.694 11.984 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.431 2.295 12.250 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.137 0.646 12.991 1.00 0.00 H new ATOM 322 N ALA A 23 11.325 5.051 5.990 1.00 0.00 N ATOM 323 CA ALA A 23 11.538 5.912 4.833 1.00 0.00 C ATOM 324 C ALA A 23 10.472 5.679 3.752 1.00 0.00 C ATOM 325 O ALA A 23 10.613 4.764 2.945 1.00 0.00 O ATOM 326 CB ALA A 23 12.953 5.691 4.276 1.00 0.00 C ATOM 0 H ALA A 23 12.099 4.402 6.132 1.00 0.00 H new ATOM 0 HA ALA A 23 11.443 6.950 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.109 6.336 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.688 5.931 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.068 4.649 3.977 1.00 0.00 H new ATOM 332 N TRP A 24 9.402 6.478 3.736 1.00 0.00 N ATOM 333 CA TRP A 24 8.189 6.251 2.952 1.00 0.00 C ATOM 334 C TRP A 24 8.320 6.328 1.427 1.00 0.00 C ATOM 335 O TRP A 24 7.340 5.980 0.765 1.00 0.00 O ATOM 336 CB TRP A 24 7.102 7.224 3.431 1.00 0.00 C ATOM 337 CG TRP A 24 6.271 6.658 4.531 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.200 7.103 5.800 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.452 5.460 4.484 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.337 6.305 6.523 1.00 0.00 N ATOM 341 CE2 TRP A 24 4.865 5.252 5.762 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.181 4.513 3.480 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.029 4.154 6.016 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.381 3.389 3.735 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.807 3.211 5.003 1.00 0.00 C ATOM 0 H TRP A 24 9.357 7.333 4.291 1.00 0.00 H new ATOM 0 HA TRP A 24 7.931 5.208 3.135 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.571 8.147 3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.458 7.485 2.591 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.737 7.954 6.192 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.080 6.471 7.496 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.597 4.654 2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.561 4.037 6.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.207 2.661 2.956 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.192 2.345 5.199 1.00 0.00 H new ATOM 356 N ASP A 25 9.453 6.814 0.914 1.00 0.00 N ATOM 357 CA ASP A 25 9.881 6.728 -0.493 1.00 0.00 C ATOM 358 C ASP A 25 8.733 7.038 -1.449 1.00 0.00 C ATOM 359 O ASP A 25 8.053 6.139 -1.966 1.00 0.00 O ATOM 360 CB ASP A 25 10.551 5.390 -0.795 1.00 0.00 C ATOM 361 CG ASP A 25 12.067 5.405 -0.619 1.00 0.00 C ATOM 362 OD1 ASP A 25 12.772 5.861 -1.542 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.594 4.832 0.366 1.00 0.00 O ATOM 0 H ASP A 25 10.134 7.304 1.494 1.00 0.00 H new ATOM 0 HA ASP A 25 10.636 7.497 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.127 4.627 -0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.317 5.100 -1.819 1.00 0.00 H new ATOM 368 N ASN A 26 8.458 8.332 -1.654 1.00 0.00 N ATOM 369 CA ASN A 26 7.226 8.809 -2.269 1.00 0.00 C ATOM 370 C ASN A 26 7.196 8.348 -3.720 1.00 0.00 C ATOM 371 O ASN A 26 7.950 8.862 -4.561 1.00 0.00 O ATOM 372 CB ASN A 26 7.099 10.339 -2.197 1.00 0.00 C ATOM 373 CG ASN A 26 6.762 10.873 -0.808 1.00 0.00 C ATOM 374 OD1 ASN A 26 5.907 11.734 -0.656 1.00 0.00 O ATOM 375 ND2 ASN A 26 7.390 10.384 0.248 1.00 0.00 N ATOM 0 H ASN A 26 9.097 9.082 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 26 6.382 8.394 -1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.036 10.786 -2.529 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.327 10.662 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.160 10.725 1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.104 9.666 0.129 1.00 0.00 H new ATOM 382 N LEU A 27 6.362 7.345 -3.994 1.00 0.00 N ATOM 383 CA LEU A 27 6.347 6.637 -5.257 1.00 0.00 C ATOM 384 C LEU A 27 5.922 7.597 -6.353 1.00 0.00 C ATOM 385 O LEU A 27 5.031 8.439 -6.191 1.00 0.00 O ATOM 386 CB LEU A 27 5.428 5.404 -5.236 1.00 0.00 C ATOM 387 CG LEU A 27 5.798 4.335 -4.189 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.801 3.179 -4.274 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.208 3.763 -4.378 1.00 0.00 C ATOM 0 H LEU A 27 5.670 7.002 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 27 7.354 6.266 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.406 5.734 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.440 4.943 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 27 5.767 4.828 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.059 2.421 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.795 3.550 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.836 2.741 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.404 3.017 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.284 3.299 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.940 4.567 -4.299 1.00 0.00 H new ATOM 401 N THR A 28 6.590 7.456 -7.481 1.00 0.00 N ATOM 402 CA THR A 28 6.305 8.161 -8.704 1.00 0.00 C ATOM 403 C THR A 28 4.912 7.737 -9.205 1.00 0.00 C ATOM 404 O THR A 28 4.415 6.658 -8.862 1.00 0.00 O ATOM 405 CB THR A 28 7.457 7.893 -9.696 1.00 0.00 C ATOM 406 OG1 THR A 28 8.537 7.161 -9.134 1.00 0.00 O ATOM 407 CG2 THR A 28 8.104 9.211 -10.097 1.00 0.00 C ATOM 0 H THR A 28 7.380 6.817 -7.568 1.00 0.00 H new ATOM 0 HA THR A 28 6.259 9.241 -8.567 1.00 0.00 H new ATOM 0 HB THR A 28 6.994 7.340 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.229 7.025 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.917 9.019 -10.797 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.361 9.852 -10.571 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.499 9.707 -9.210 1.00 0.00 H new ATOM 415 N SER A 29 4.260 8.601 -9.982 1.00 0.00 N ATOM 416 CA SER A 29 2.818 8.537 -10.224 1.00 0.00 C ATOM 417 C SER A 29 2.337 7.277 -10.953 1.00 0.00 C ATOM 418 O SER A 29 1.155 6.957 -10.856 1.00 0.00 O ATOM 419 CB SER A 29 2.397 9.793 -10.982 1.00 0.00 C ATOM 420 OG SER A 29 2.774 10.928 -10.223 1.00 0.00 O ATOM 0 H SER A 29 4.721 9.372 -10.466 1.00 0.00 H new ATOM 0 HA SER A 29 2.339 8.483 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.872 9.819 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.320 9.791 -11.149 1.00 0.00 H new ATOM 0 HG SER A 29 2.511 11.743 -10.700 1.00 0.00 H new ATOM 426 N SER A 30 3.236 6.555 -11.623 1.00 0.00 N ATOM 427 CA SER A 30 2.983 5.252 -12.218 1.00 0.00 C ATOM 428 C SER A 30 4.213 4.360 -11.988 1.00 0.00 C ATOM 429 O SER A 30 4.675 3.684 -12.906 1.00 0.00 O ATOM 430 CB SER A 30 2.640 5.433 -13.704 1.00 0.00 C ATOM 431 OG SER A 30 1.546 6.325 -13.884 1.00 0.00 O ATOM 0 H SER A 30 4.193 6.877 -11.769 1.00 0.00 H new ATOM 0 HA SER A 30 2.129 4.759 -11.753 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.512 5.814 -14.236 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.397 4.465 -14.142 1.00 0.00 H new ATOM 0 HG SER A 30 1.355 6.419 -14.841 1.00 0.00 H new ATOM 437 N GLN A 31 4.797 4.411 -10.782 1.00 0.00 N ATOM 438 CA GLN A 31 5.898 3.537 -10.377 1.00 0.00 C ATOM 439 C GLN A 31 5.483 2.079 -10.603 1.00 0.00 C ATOM 440 O GLN A 31 4.336 1.715 -10.335 1.00 0.00 O ATOM 441 CB GLN A 31 6.236 3.763 -8.886 1.00 0.00 C ATOM 442 CG GLN A 31 7.549 3.129 -8.422 1.00 0.00 C ATOM 443 CD GLN A 31 8.728 4.089 -8.277 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.424 4.393 -9.242 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.987 4.580 -7.071 1.00 0.00 N ATOM 0 H GLN A 31 4.512 5.068 -10.056 1.00 0.00 H new ATOM 0 HA GLN A 31 6.783 3.765 -10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.280 4.836 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.423 3.365 -8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.378 2.644 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.825 2.347 -9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.401 4.320 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.772 5.218 -6.938 1.00 0.00 H new ATOM 454 N THR A 32 6.425 1.231 -11.010 1.00 0.00 N ATOM 455 CA THR A 32 6.204 -0.205 -11.167 1.00 0.00 C ATOM 456 C THR A 32 7.294 -1.042 -10.480 1.00 0.00 C ATOM 457 O THR A 32 7.195 -2.268 -10.429 1.00 0.00 O ATOM 458 CB THR A 32 6.056 -0.530 -12.658 1.00 0.00 C ATOM 459 OG1 THR A 32 7.175 -0.035 -13.370 1.00 0.00 O ATOM 460 CG2 THR A 32 4.793 0.081 -13.264 1.00 0.00 C ATOM 0 H THR A 32 7.374 1.525 -11.243 1.00 0.00 H new ATOM 0 HA THR A 32 5.278 -0.479 -10.661 1.00 0.00 H new ATOM 0 HB THR A 32 5.988 -1.615 -12.740 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.077 -0.247 -14.322 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.735 -0.178 -14.321 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.916 -0.308 -12.746 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.826 1.165 -13.158 1.00 0.00 H new ATOM 468 N LYS A 33 8.315 -0.399 -9.899 1.00 0.00 N ATOM 469 CA LYS A 33 9.353 -1.069 -9.123 1.00 0.00 C ATOM 470 C LYS A 33 9.665 -0.243 -7.892 1.00 0.00 C ATOM 471 O LYS A 33 9.437 0.964 -7.856 1.00 0.00 O ATOM 472 CB LYS A 33 10.600 -1.331 -9.997 1.00 0.00 C ATOM 473 CG LYS A 33 11.258 -2.685 -9.678 1.00 0.00 C ATOM 474 CD LYS A 33 12.408 -2.680 -8.657 1.00 0.00 C ATOM 475 CE LYS A 33 13.738 -2.178 -9.240 1.00 0.00 C ATOM 476 NZ LYS A 33 14.866 -2.345 -8.289 1.00 0.00 N ATOM 0 H LYS A 33 8.440 0.612 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 33 9.000 -2.045 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.316 -1.306 -11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.324 -0.531 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.484 -3.360 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.635 -3.106 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.130 -2.052 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.547 -3.690 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.957 -2.720 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.642 -1.125 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.751 -2.040 -8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.694 -1.767 -7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.944 -3.345 -8.015 1.00 0.00 H new ATOM 490 N ALA A 34 10.134 -0.911 -6.851 1.00 0.00 N ATOM 491 CA ALA A 34 10.487 -0.316 -5.587 1.00 0.00 C ATOM 492 C ALA A 34 11.607 0.703 -5.779 1.00 0.00 C ATOM 493 O ALA A 34 12.387 0.610 -6.733 1.00 0.00 O ATOM 494 CB ALA A 34 10.924 -1.420 -4.619 1.00 0.00 C ATOM 0 H ALA A 34 10.282 -1.920 -6.871 1.00 0.00 H new ATOM 0 HA ALA A 34 9.623 0.204 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.193 -0.977 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.104 -2.124 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.786 -1.945 -5.031 1.00 0.00 H new ATOM 500 N PRO A 35 11.734 1.639 -4.833 1.00 0.00 N ATOM 501 CA PRO A 35 12.814 2.608 -4.820 1.00 0.00 C ATOM 502 C PRO A 35 14.179 1.927 -4.676 1.00 0.00 C ATOM 503 O PRO A 35 15.111 2.326 -5.368 1.00 0.00 O ATOM 504 CB PRO A 35 12.507 3.529 -3.637 1.00 0.00 C ATOM 505 CG PRO A 35 11.680 2.636 -2.711 1.00 0.00 C ATOM 506 CD PRO A 35 10.846 1.854 -3.704 1.00 0.00 C ATOM 0 HA PRO A 35 12.873 3.164 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.418 3.880 -3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.951 4.413 -3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.307 1.986 -2.102 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.063 3.217 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.506 0.909 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.956 2.409 -3.999 1.00 0.00 H new ATOM 514 N ASN A 36 14.303 0.933 -3.790 1.00 0.00 N ATOM 515 CA ASN A 36 15.525 0.207 -3.477 1.00 0.00 C ATOM 516 C ASN A 36 15.111 -1.114 -2.832 1.00 0.00 C ATOM 517 O ASN A 36 13.942 -1.293 -2.478 1.00 0.00 O ATOM 518 CB ASN A 36 16.391 1.028 -2.501 1.00 0.00 C ATOM 519 CG ASN A 36 17.258 2.044 -3.237 1.00 0.00 C ATOM 520 OD1 ASN A 36 18.134 1.679 -4.015 1.00 0.00 O ATOM 521 ND2 ASN A 36 17.045 3.325 -3.003 1.00 0.00 N ATOM 0 H ASN A 36 13.507 0.600 -3.246 1.00 0.00 H new ATOM 0 HA ASN A 36 16.113 0.029 -4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.747 1.546 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.027 0.356 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.613 4.030 -3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.312 3.610 -2.353 1.00 0.00 H new ATOM 528 N VAL A 37 16.057 -2.036 -2.646 1.00 0.00 N ATOM 529 CA VAL A 37 15.891 -3.169 -1.739 1.00 0.00 C ATOM 530 C VAL A 37 15.508 -2.730 -0.326 1.00 0.00 C ATOM 531 O VAL A 37 16.276 -2.088 0.391 1.00 0.00 O ATOM 532 CB VAL A 37 17.030 -4.193 -1.855 1.00 0.00 C ATOM 533 CG1 VAL A 37 18.412 -3.627 -1.957 1.00 0.00 C ATOM 534 CG2 VAL A 37 17.010 -5.314 -0.819 1.00 0.00 C ATOM 0 H VAL A 37 16.960 -2.017 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 37 15.022 -3.739 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 37 16.792 -4.632 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 37 19.134 -4.440 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.482 -2.995 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.628 -3.033 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.855 -5.981 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.081 -4.886 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.080 -5.876 -0.909 1.00 0.00 H new ATOM 544 N LEU A 38 14.272 -3.071 0.036 1.00 0.00 N ATOM 545 CA LEU A 38 13.712 -2.917 1.366 1.00 0.00 C ATOM 546 C LEU A 38 14.294 -4.001 2.280 1.00 0.00 C ATOM 547 O LEU A 38 14.505 -5.142 1.857 1.00 0.00 O ATOM 548 CB LEU A 38 12.177 -3.038 1.304 1.00 0.00 C ATOM 549 CG LEU A 38 11.488 -2.142 0.251 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.971 -2.334 0.291 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.810 -0.656 0.444 1.00 0.00 C ATOM 0 H LEU A 38 13.609 -3.480 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 38 13.966 -1.934 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.919 -4.077 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.770 -2.796 2.286 1.00 0.00 H new ATOM 0 HG LEU A 38 11.879 -2.449 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.503 -1.695 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.730 -3.376 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.597 -2.069 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.301 -0.071 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.472 -0.336 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.886 -0.503 0.362 1.00 0.00 H new ATOM 563 N LYS A 39 14.527 -3.648 3.548 1.00 0.00 N ATOM 564 CA LYS A 39 15.029 -4.575 4.564 1.00 0.00 C ATOM 565 C LYS A 39 13.940 -4.900 5.583 1.00 0.00 C ATOM 566 O LYS A 39 13.004 -4.120 5.775 1.00 0.00 O ATOM 567 CB LYS A 39 16.241 -3.994 5.302 1.00 0.00 C ATOM 568 CG LYS A 39 17.313 -3.379 4.398 1.00 0.00 C ATOM 569 CD LYS A 39 17.283 -1.848 4.371 1.00 0.00 C ATOM 570 CE LYS A 39 17.935 -1.272 3.112 1.00 0.00 C ATOM 571 NZ LYS A 39 19.327 -1.710 2.878 1.00 0.00 N ATOM 0 H LYS A 39 14.371 -2.703 3.900 1.00 0.00 H new ATOM 0 HA LYS A 39 15.332 -5.485 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.893 -3.231 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.698 -4.784 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.295 -3.710 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.181 -3.755 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.249 -1.507 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.797 -1.462 5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.332 -1.550 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.917 -0.184 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.787 -1.062 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.849 -1.704 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.327 -2.673 2.485 1.00 0.00 H new ATOM 585 N GLY A 40 14.138 -5.989 6.320 1.00 0.00 N ATOM 586 CA GLY A 40 13.157 -6.513 7.263 1.00 0.00 C ATOM 587 C GLY A 40 12.166 -7.448 6.564 1.00 0.00 C ATOM 588 O GLY A 40 12.339 -7.784 5.392 1.00 0.00 O ATOM 0 H GLY A 40 14.996 -6.539 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.667 -7.050 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.617 -5.688 7.728 1.00 0.00 H new ATOM 592 N ASN A 41 11.114 -7.866 7.275 1.00 0.00 N ATOM 593 CA ASN A 41 10.041 -8.720 6.747 1.00 0.00 C ATOM 594 C ASN A 41 8.699 -7.987 6.657 1.00 0.00 C ATOM 595 O ASN A 41 7.896 -8.303 5.778 1.00 0.00 O ATOM 596 CB ASN A 41 9.867 -9.978 7.610 1.00 0.00 C ATOM 597 CG ASN A 41 8.874 -10.942 6.964 1.00 0.00 C ATOM 598 OD1 ASN A 41 9.167 -11.552 5.940 1.00 0.00 O ATOM 599 ND2 ASN A 41 7.691 -11.127 7.527 1.00 0.00 N ATOM 0 H ASN A 41 10.980 -7.616 8.255 1.00 0.00 H new ATOM 0 HA ASN A 41 10.344 -9.001 5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.830 -10.472 7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.516 -9.698 8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.024 -11.776 7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.446 -10.621 8.378 1.00 0.00 H new ATOM 606 N LYS A 42 8.426 -7.025 7.548 1.00 0.00 N ATOM 607 CA LYS A 42 7.195 -6.236 7.486 1.00 0.00 C ATOM 608 C LYS A 42 7.327 -5.142 6.438 1.00 0.00 C ATOM 609 O LYS A 42 8.229 -4.308 6.519 1.00 0.00 O ATOM 610 CB LYS A 42 6.821 -5.647 8.855 1.00 0.00 C ATOM 611 CG LYS A 42 6.181 -6.678 9.802 1.00 0.00 C ATOM 612 CD LYS A 42 4.887 -7.296 9.227 1.00 0.00 C ATOM 613 CE LYS A 42 4.074 -8.070 10.269 1.00 0.00 C ATOM 614 NZ LYS A 42 3.325 -7.194 11.192 1.00 0.00 N ATOM 0 H LYS A 42 9.044 -6.776 8.320 1.00 0.00 H new ATOM 0 HA LYS A 42 6.384 -6.904 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.716 -5.238 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.129 -4.817 8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.899 -7.473 10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.957 -6.199 10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.268 -6.503 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.145 -7.965 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.374 -8.730 9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.746 -8.705 10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.673 -7.334 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.461 -6.201 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.313 -7.430 11.150 1.00 0.00 H new ATOM 628 N LEU A 43 6.399 -5.147 5.484 1.00 0.00 N ATOM 629 CA LEU A 43 6.279 -4.269 4.346 1.00 0.00 C ATOM 630 C LEU A 43 5.149 -3.302 4.667 1.00 0.00 C ATOM 631 O LEU A 43 3.970 -3.672 4.719 1.00 0.00 O ATOM 632 CB LEU A 43 5.979 -5.105 3.083 1.00 0.00 C ATOM 633 CG LEU A 43 6.820 -4.679 1.876 1.00 0.00 C ATOM 634 CD1 LEU A 43 6.422 -5.512 0.653 1.00 0.00 C ATOM 635 CD2 LEU A 43 6.634 -3.207 1.518 1.00 0.00 C ATOM 0 H LEU A 43 5.646 -5.835 5.499 1.00 0.00 H new ATOM 0 HA LEU A 43 7.197 -3.715 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.165 -6.157 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.922 -5.013 2.834 1.00 0.00 H new ATOM 0 HG LEU A 43 7.863 -4.839 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.021 -5.208 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.595 -6.568 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.366 -5.354 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.254 -2.961 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.587 -3.020 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.928 -2.587 2.365 1.00 0.00 H new ATOM 647 N TYR A 44 5.508 -2.061 4.958 1.00 0.00 N ATOM 648 CA TYR A 44 4.564 -1.021 5.289 1.00 0.00 C ATOM 649 C TYR A 44 4.201 -0.297 4.007 1.00 0.00 C ATOM 650 O TYR A 44 5.061 0.143 3.249 1.00 0.00 O ATOM 651 CB TYR A 44 5.164 -0.106 6.356 1.00 0.00 C ATOM 652 CG TYR A 44 5.504 -0.832 7.646 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.556 -1.666 8.274 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.775 -0.676 8.219 1.00 0.00 C ATOM 655 CE1 TYR A 44 4.871 -2.354 9.460 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.080 -1.319 9.431 1.00 0.00 C ATOM 657 CZ TYR A 44 6.141 -2.173 10.057 1.00 0.00 C ATOM 658 OH TYR A 44 6.428 -2.774 11.246 1.00 0.00 O ATOM 0 H TYR A 44 6.479 -1.750 4.969 1.00 0.00 H new ATOM 0 HA TYR A 44 3.647 -1.425 5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.067 0.359 5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.460 0.697 6.574 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.574 -1.778 7.838 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.518 -0.063 7.730 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.148 -3.016 9.912 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.044 -1.159 9.891 1.00 0.00 H new ATOM 0 HH TYR A 44 7.343 -2.547 11.515 1.00 0.00 H new ATOM 668 N VAL A 45 2.905 -0.165 3.762 1.00 0.00 N ATOM 669 CA VAL A 45 2.360 0.431 2.553 1.00 0.00 C ATOM 670 C VAL A 45 1.442 1.579 2.993 1.00 0.00 C ATOM 671 O VAL A 45 0.932 1.549 4.125 1.00 0.00 O ATOM 672 CB VAL A 45 1.674 -0.673 1.717 1.00 0.00 C ATOM 673 CG1 VAL A 45 1.566 -0.236 0.274 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.442 -2.011 1.709 1.00 0.00 C ATOM 0 H VAL A 45 2.187 -0.477 4.415 1.00 0.00 H new ATOM 0 HA VAL A 45 3.118 0.858 1.897 1.00 0.00 H new ATOM 0 HB VAL A 45 0.701 -0.825 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.081 -1.020 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.976 0.678 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.563 -0.051 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.901 -2.737 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.436 -1.857 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.532 -2.385 2.729 1.00 0.00 H new ATOM 684 N LYS A 46 1.267 2.589 2.126 1.00 0.00 N ATOM 685 CA LYS A 46 0.479 3.794 2.397 1.00 0.00 C ATOM 686 C LYS A 46 -0.412 4.116 1.188 1.00 0.00 C ATOM 687 O LYS A 46 -0.331 5.180 0.585 1.00 0.00 O ATOM 688 CB LYS A 46 1.443 4.958 2.745 1.00 0.00 C ATOM 689 CG LYS A 46 0.718 6.195 3.281 1.00 0.00 C ATOM 690 CD LYS A 46 1.438 7.546 3.177 1.00 0.00 C ATOM 691 CE LYS A 46 2.642 7.670 4.121 1.00 0.00 C ATOM 692 NZ LYS A 46 2.882 9.075 4.526 1.00 0.00 N ATOM 0 H LYS A 46 1.682 2.587 1.194 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.182 3.637 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.164 4.616 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.009 5.233 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.233 6.281 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.486 6.019 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.774 7.692 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.730 8.345 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.472 7.060 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.532 7.277 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.703 9.117 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.069 9.653 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.043 9.443 5.018 1.00 0.00 H new ATOM 706 N ALA A 47 -1.237 3.159 0.796 1.00 0.00 N ATOM 707 CA ALA A 47 -2.110 3.204 -0.363 1.00 0.00 C ATOM 708 C ALA A 47 -3.151 4.321 -0.234 1.00 0.00 C ATOM 709 O ALA A 47 -3.974 4.291 0.682 1.00 0.00 O ATOM 710 CB ALA A 47 -2.758 1.824 -0.474 1.00 0.00 C ATOM 0 H ALA A 47 -1.319 2.281 1.308 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.549 3.433 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.427 1.804 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.983 1.067 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.326 1.615 0.433 1.00 0.00 H new ATOM 716 N ARG A 48 -3.176 5.282 -1.171 1.00 0.00 N ATOM 717 CA ARG A 48 -4.212 6.311 -1.193 1.00 0.00 C ATOM 718 C ARG A 48 -5.475 5.663 -1.723 1.00 0.00 C ATOM 719 O ARG A 48 -5.503 5.302 -2.903 1.00 0.00 O ATOM 720 CB ARG A 48 -3.782 7.480 -2.089 1.00 0.00 C ATOM 721 CG ARG A 48 -4.899 8.519 -2.337 1.00 0.00 C ATOM 722 CD ARG A 48 -4.611 9.784 -1.524 1.00 0.00 C ATOM 723 NE ARG A 48 -3.644 10.654 -2.205 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.424 11.943 -1.902 1.00 0.00 C ATOM 725 NH1 ARG A 48 -3.766 12.438 -0.720 1.00 0.00 N ATOM 726 NH2 ARG A 48 -2.868 12.756 -2.785 1.00 0.00 N ATOM 0 H ARG A 48 -2.488 5.363 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.382 6.714 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.928 7.980 -1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.446 7.086 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.956 8.761 -3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.866 8.104 -2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.540 10.330 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.225 9.507 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.098 10.248 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.204 11.836 -0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.591 13.420 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.603 12.405 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.705 13.734 -2.546 1.00 0.00 H new ATOM 740 N PHE A 49 -6.517 5.529 -0.910 1.00 0.00 N ATOM 741 CA PHE A 49 -7.827 5.155 -1.422 1.00 0.00 C ATOM 742 C PHE A 49 -8.656 6.413 -1.563 1.00 0.00 C ATOM 743 O PHE A 49 -8.739 7.197 -0.615 1.00 0.00 O ATOM 744 CB PHE A 49 -8.532 4.177 -0.496 1.00 0.00 C ATOM 745 CG PHE A 49 -7.840 2.831 -0.395 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.724 2.695 0.447 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.294 1.714 -1.134 1.00 0.00 C ATOM 748 CE1 PHE A 49 -6.046 1.469 0.530 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.634 0.480 -1.027 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.493 0.366 -0.215 1.00 0.00 C ATOM 0 H PHE A 49 -6.480 5.673 0.099 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.703 4.661 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.601 4.617 0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.552 4.026 -0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.386 3.537 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.152 1.811 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.180 1.374 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.002 -0.380 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.959 -0.571 -0.164 1.00 0.00 H new ATOM 760 N MET A 50 -9.262 6.590 -2.732 1.00 0.00 N ATOM 761 CA MET A 50 -10.170 7.704 -3.000 1.00 0.00 C ATOM 762 C MET A 50 -11.586 7.140 -3.107 1.00 0.00 C ATOM 763 O MET A 50 -11.882 6.432 -4.065 1.00 0.00 O ATOM 764 CB MET A 50 -9.796 8.483 -4.272 1.00 0.00 C ATOM 765 CG MET A 50 -8.298 8.727 -4.485 1.00 0.00 C ATOM 766 SD MET A 50 -7.654 10.349 -4.016 1.00 0.00 S ATOM 767 CE MET A 50 -8.237 10.448 -2.313 1.00 0.00 C ATOM 0 H MET A 50 -9.138 5.962 -3.526 1.00 0.00 H new ATOM 0 HA MET A 50 -10.098 8.420 -2.181 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.184 7.941 -5.135 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.303 9.448 -4.247 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.749 7.970 -3.925 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.076 8.567 -5.540 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.737 11.273 -1.805 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.314 10.617 -2.306 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.013 9.514 -1.797 1.00 0.00 H new ATOM 777 N GLY A 51 -12.427 7.411 -2.114 1.00 0.00 N ATOM 778 CA GLY A 51 -13.799 6.902 -2.003 1.00 0.00 C ATOM 779 C GLY A 51 -13.905 5.760 -0.985 1.00 0.00 C ATOM 780 O GLY A 51 -12.888 5.266 -0.490 1.00 0.00 O ATOM 0 H GLY A 51 -12.167 8.013 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.465 7.714 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.136 6.551 -2.978 1.00 0.00 H new ATOM 784 N TYR A 52 -15.130 5.375 -0.610 1.00 0.00 N ATOM 785 CA TYR A 52 -15.410 4.400 0.447 1.00 0.00 C ATOM 786 C TYR A 52 -15.174 2.959 -0.019 1.00 0.00 C ATOM 787 O TYR A 52 -15.931 2.458 -0.850 1.00 0.00 O ATOM 788 CB TYR A 52 -16.856 4.549 0.965 1.00 0.00 C ATOM 789 CG TYR A 52 -16.946 4.962 2.418 1.00 0.00 C ATOM 790 CD1 TYR A 52 -16.709 4.035 3.454 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.287 6.286 2.732 1.00 0.00 C ATOM 792 CE1 TYR A 52 -16.832 4.424 4.802 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.432 6.683 4.069 1.00 0.00 C ATOM 794 CZ TYR A 52 -17.212 5.757 5.110 1.00 0.00 C ATOM 795 OH TYR A 52 -17.345 6.192 6.391 1.00 0.00 O ATOM 0 H TYR A 52 -15.976 5.743 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.713 4.610 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.376 5.287 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.378 3.601 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -16.431 3.020 3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.439 7.004 1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -16.639 3.715 5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.713 7.700 4.302 1.00 0.00 H new ATOM 0 HH TYR A 52 -17.611 7.135 6.390 1.00 0.00 H new ATOM 805 N THR A 53 -14.177 2.293 0.576 1.00 0.00 N ATOM 806 CA THR A 53 -13.943 0.849 0.624 1.00 0.00 C ATOM 807 C THR A 53 -12.987 0.514 1.762 1.00 0.00 C ATOM 808 O THR A 53 -11.762 0.516 1.633 1.00 0.00 O ATOM 809 CB THR A 53 -13.463 0.289 -0.728 1.00 0.00 C ATOM 810 OG1 THR A 53 -14.539 0.176 -1.636 1.00 0.00 O ATOM 811 CG2 THR A 53 -12.694 -1.031 -0.716 1.00 0.00 C ATOM 0 H THR A 53 -13.449 2.799 1.081 1.00 0.00 H new ATOM 0 HA THR A 53 -14.895 0.357 0.824 1.00 0.00 H new ATOM 0 HB THR A 53 -12.731 1.034 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.409 -0.614 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.420 -1.302 -1.736 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.791 -0.921 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.321 -1.813 -0.289 1.00 0.00 H new ATOM 819 N LYS A 54 -13.543 0.173 2.915 1.00 0.00 N ATOM 820 CA LYS A 54 -12.719 -0.350 3.995 1.00 0.00 C ATOM 821 C LYS A 54 -12.423 -1.846 3.842 1.00 0.00 C ATOM 822 O LYS A 54 -11.703 -2.413 4.662 1.00 0.00 O ATOM 823 CB LYS A 54 -13.350 0.066 5.314 1.00 0.00 C ATOM 824 CG LYS A 54 -14.698 -0.586 5.648 1.00 0.00 C ATOM 825 CD LYS A 54 -14.536 -1.627 6.754 1.00 0.00 C ATOM 826 CE LYS A 54 -15.893 -2.117 7.252 1.00 0.00 C ATOM 827 NZ LYS A 54 -15.741 -2.903 8.495 1.00 0.00 N ATOM 0 H LYS A 54 -14.538 0.246 3.125 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.720 0.085 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.649 -0.162 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.484 1.148 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.409 0.178 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.110 -1.057 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.956 -2.471 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.975 -1.196 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.549 -1.265 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.368 -2.729 6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.675 -3.227 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.133 -3.727 8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.308 -2.309 9.231 1.00 0.00 H new ATOM 841 N LEU A 55 -12.962 -2.487 2.802 1.00 0.00 N ATOM 842 CA LEU A 55 -12.866 -3.921 2.568 1.00 0.00 C ATOM 843 C LEU A 55 -11.752 -4.179 1.546 1.00 0.00 C ATOM 844 O LEU A 55 -12.020 -4.361 0.360 1.00 0.00 O ATOM 845 CB LEU A 55 -14.234 -4.454 2.089 1.00 0.00 C ATOM 846 CG LEU A 55 -15.400 -4.221 3.073 1.00 0.00 C ATOM 847 CD1 LEU A 55 -16.726 -4.683 2.467 1.00 0.00 C ATOM 848 CD2 LEU A 55 -15.161 -4.950 4.398 1.00 0.00 C ATOM 0 H LEU A 55 -13.493 -2.002 2.079 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.612 -4.451 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.480 -3.981 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.145 -5.524 1.900 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.451 -3.150 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.532 -4.508 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.923 -4.124 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.670 -5.747 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.999 -4.767 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.071 -6.020 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.242 -4.582 4.855 1.00 0.00 H new ATOM 860 N THR A 56 -10.494 -4.117 1.981 1.00 0.00 N ATOM 861 CA THR A 56 -9.329 -4.323 1.116 1.00 0.00 C ATOM 862 C THR A 56 -8.954 -5.810 1.066 1.00 0.00 C ATOM 863 O THR A 56 -9.352 -6.571 1.948 1.00 0.00 O ATOM 864 CB THR A 56 -8.154 -3.466 1.629 1.00 0.00 C ATOM 865 OG1 THR A 56 -8.617 -2.288 2.273 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.281 -3.012 0.468 1.00 0.00 C ATOM 0 H THR A 56 -10.251 -3.921 2.952 1.00 0.00 H new ATOM 0 HA THR A 56 -9.570 -4.012 0.100 1.00 0.00 H new ATOM 0 HB THR A 56 -7.595 -4.088 2.327 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.039 -1.535 2.032 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.456 -2.408 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.883 -3.884 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.877 -2.418 -0.225 1.00 0.00 H new ATOM 874 N VAL A 57 -8.167 -6.230 0.070 1.00 0.00 N ATOM 875 CA VAL A 57 -7.648 -7.580 -0.106 1.00 0.00 C ATOM 876 C VAL A 57 -6.197 -7.471 -0.602 1.00 0.00 C ATOM 877 O VAL A 57 -5.820 -6.525 -1.297 1.00 0.00 O ATOM 878 CB VAL A 57 -8.548 -8.355 -1.102 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.067 -9.798 -1.348 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.012 -8.395 -0.634 1.00 0.00 C ATOM 0 H VAL A 57 -7.862 -5.600 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.656 -8.133 0.833 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.477 -7.804 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.737 -10.290 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.057 -9.780 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.066 -10.347 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.611 -8.947 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.071 -8.889 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.394 -7.378 -0.547 1.00 0.00 H new ATOM 890 N ILE A 58 -5.389 -8.478 -0.280 1.00 0.00 N ATOM 891 CA ILE A 58 -4.094 -8.784 -0.873 1.00 0.00 C ATOM 892 C ILE A 58 -4.192 -10.293 -1.109 1.00 0.00 C ATOM 893 O ILE A 58 -4.455 -11.017 -0.149 1.00 0.00 O ATOM 894 CB ILE A 58 -2.935 -8.417 0.088 1.00 0.00 C ATOM 895 CG1 ILE A 58 -2.940 -6.944 0.575 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.566 -8.731 -0.535 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.274 -6.890 2.063 1.00 0.00 C ATOM 0 H ILE A 58 -5.640 -9.144 0.450 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.880 -8.222 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.107 -9.043 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.966 -6.489 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.671 -6.367 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.777 -8.461 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.504 -9.796 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.445 -8.159 -1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.276 -5.853 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.258 -7.327 2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.527 -7.451 2.624 1.00 0.00 H new ATOM 909 N THR A 59 -4.084 -10.760 -2.350 1.00 0.00 N ATOM 910 CA THR A 59 -4.280 -12.153 -2.724 1.00 0.00 C ATOM 911 C THR A 59 -3.170 -13.056 -2.184 1.00 0.00 C ATOM 912 O THR A 59 -3.425 -14.220 -1.909 1.00 0.00 O ATOM 913 CB THR A 59 -4.343 -12.307 -4.258 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.201 -11.066 -4.929 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.652 -12.943 -4.712 1.00 0.00 C ATOM 0 H THR A 59 -3.851 -10.162 -3.143 1.00 0.00 H new ATOM 0 HA THR A 59 -5.227 -12.461 -2.280 1.00 0.00 H new ATOM 0 HB THR A 59 -3.507 -12.957 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.245 -11.211 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.655 -13.033 -5.798 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.750 -13.933 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.488 -12.319 -4.397 1.00 0.00 H new ATOM 923 N GLY A 60 -1.945 -12.534 -2.063 1.00 0.00 N ATOM 924 CA GLY A 60 -0.782 -13.295 -1.622 1.00 0.00 C ATOM 925 C GLY A 60 -0.499 -14.524 -2.490 1.00 0.00 C ATOM 926 O GLY A 60 -1.041 -14.679 -3.589 1.00 0.00 O ATOM 0 H GLY A 60 -1.736 -11.558 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.093 -12.645 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.935 -13.614 -0.591 1.00 0.00 H new ATOM 930 N LYS A 61 0.412 -15.380 -2.018 1.00 0.00 N ATOM 931 CA LYS A 61 0.759 -16.643 -2.657 1.00 0.00 C ATOM 932 C LYS A 61 -0.384 -17.642 -2.537 1.00 0.00 C ATOM 933 O LYS A 61 -0.500 -18.527 -3.379 1.00 0.00 O ATOM 934 CB LYS A 61 2.070 -17.186 -2.053 1.00 0.00 C ATOM 935 CG LYS A 61 1.924 -17.924 -0.705 1.00 0.00 C ATOM 936 CD LYS A 61 3.187 -18.002 0.175 1.00 0.00 C ATOM 937 CE LYS A 61 4.555 -18.178 -0.506 1.00 0.00 C ATOM 938 NZ LYS A 61 4.974 -19.585 -0.687 1.00 0.00 N ATOM 0 H LYS A 61 0.938 -15.206 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 61 0.921 -16.477 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.527 -17.866 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.760 -16.353 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.138 -17.434 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.585 -18.940 -0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.230 -17.091 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.055 -18.832 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.526 -17.692 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.310 -17.660 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.904 -19.613 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.036 -20.051 0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.277 -20.082 -1.277 1.00 0.00 H new ATOM 952 N ASP A 62 -1.219 -17.501 -1.503 1.00 0.00 N ATOM 953 CA ASP A 62 -2.321 -18.421 -1.247 1.00 0.00 C ATOM 954 C ASP A 62 -3.495 -18.202 -2.196 1.00 0.00 C ATOM 955 O ASP A 62 -4.363 -19.070 -2.297 1.00 0.00 O ATOM 956 CB ASP A 62 -2.737 -18.421 0.235 1.00 0.00 C ATOM 957 CG ASP A 62 -3.566 -17.241 0.761 1.00 0.00 C ATOM 958 OD1 ASP A 62 -3.926 -16.319 0.009 1.00 0.00 O ATOM 959 OD2 ASP A 62 -3.794 -17.228 1.993 1.00 0.00 O ATOM 0 H ASP A 62 -1.146 -16.745 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.953 -19.424 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.304 -19.334 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.829 -18.482 0.835 1.00 0.00 H new ATOM 964 N GLY A 63 -3.490 -17.094 -2.944 1.00 0.00 N ATOM 965 CA GLY A 63 -4.533 -16.781 -3.905 1.00 0.00 C ATOM 966 C GLY A 63 -5.880 -16.534 -3.232 1.00 0.00 C ATOM 967 O GLY A 63 -6.915 -16.725 -3.880 1.00 0.00 O ATOM 0 H GLY A 63 -2.754 -16.390 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.246 -15.898 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.629 -17.602 -4.616 1.00 0.00 H new ATOM 971 N LYS A 64 -5.906 -16.129 -1.957 1.00 0.00 N ATOM 972 CA LYS A 64 -7.140 -15.847 -1.237 1.00 0.00 C ATOM 973 C LYS A 64 -7.093 -14.441 -0.665 1.00 0.00 C ATOM 974 O LYS A 64 -7.583 -13.527 -1.334 1.00 0.00 O ATOM 975 CB LYS A 64 -7.414 -16.921 -0.175 1.00 0.00 C ATOM 976 CG LYS A 64 -7.628 -18.290 -0.837 1.00 0.00 C ATOM 977 CD LYS A 64 -8.366 -19.249 0.090 1.00 0.00 C ATOM 978 CE LYS A 64 -9.862 -18.917 0.151 1.00 0.00 C ATOM 979 NZ LYS A 64 -10.622 -19.903 0.939 1.00 0.00 N ATOM 0 H LYS A 64 -5.064 -15.989 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.982 -15.886 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.577 -16.974 0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.295 -16.650 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.195 -18.165 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.664 -18.717 -1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.232 -20.273 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.937 -19.195 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.995 -17.927 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.264 -18.876 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.627 -19.637 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.519 -20.845 0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.257 -19.925 1.913 1.00 0.00 H new ATOM 993 N ASN A 65 -6.529 -14.234 0.532 1.00 0.00 N ATOM 994 CA ASN A 65 -6.746 -12.995 1.282 1.00 0.00 C ATOM 995 C ASN A 65 -5.825 -12.909 2.500 1.00 0.00 C ATOM 996 O ASN A 65 -6.170 -13.382 3.583 1.00 0.00 O ATOM 997 CB ASN A 65 -8.225 -12.888 1.740 1.00 0.00 C ATOM 998 CG ASN A 65 -8.681 -11.461 1.969 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.684 -11.024 1.433 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -7.980 -10.688 2.775 1.00 0.00 N ATOM 0 H ASN A 65 -5.921 -14.907 0.999 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.513 -12.165 0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.865 -13.350 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.354 -13.456 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.278 -9.728 2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.140 -11.050 3.226 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.680 -12.238 2.387 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.731 -12.128 3.500 1.00 0.00 C ATOM 1009 C LEU A 66 -4.310 -11.360 4.696 1.00 0.00 C ATOM 1010 O LEU A 66 -3.995 -11.677 5.841 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.407 -11.500 3.049 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.706 -12.247 1.898 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.325 -11.612 1.684 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.554 -13.749 2.175 1.00 0.00 C ATOM 0 H LEU A 66 -4.384 -11.761 1.536 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.535 -13.147 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.594 -10.472 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.731 -11.456 3.903 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.323 -12.156 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.190 -12.126 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.444 -10.559 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.261 -11.699 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.054 -14.226 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.961 -13.894 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.539 -14.195 2.312 1.00 0.00 H new ATOM 1026 N LEU A 67 -5.193 -10.382 4.454 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.907 -9.654 5.506 1.00 0.00 C ATOM 1028 C LEU A 67 -6.994 -10.494 6.198 1.00 0.00 C ATOM 1029 O LEU A 67 -7.597 -10.012 7.161 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.559 -8.384 4.918 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.614 -7.193 4.748 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -6.253 -6.154 3.816 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -5.292 -6.526 6.080 1.00 0.00 C ATOM 0 H LEU A 67 -5.433 -10.072 3.512 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.162 -9.398 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.988 -8.630 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.384 -8.085 5.564 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.685 -7.572 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.577 -5.307 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.443 -6.606 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.194 -5.810 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.618 -5.686 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.213 -6.167 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.814 -7.248 6.742 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.254 -11.716 5.722 1.00 0.00 N ATOM 1046 CA TYR A 68 -8.103 -12.705 6.367 1.00 0.00 C ATOM 1047 C TYR A 68 -7.276 -13.988 6.550 1.00 0.00 C ATOM 1048 O TYR A 68 -7.785 -15.099 6.411 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.409 -12.879 5.565 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.636 -13.004 6.448 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -11.102 -11.861 7.122 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -11.280 -14.243 6.647 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -12.189 -11.946 8.003 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -12.391 -14.330 7.511 1.00 0.00 C ATOM 1055 CZ TYR A 68 -12.836 -13.183 8.210 1.00 0.00 C ATOM 1056 OH TYR A 68 -13.866 -13.262 9.099 1.00 0.00 O ATOM 0 H TYR A 68 -6.860 -12.050 4.842 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.426 -12.391 7.359 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.535 -12.027 4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.328 -13.767 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.618 -10.909 6.959 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.922 -15.125 6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.532 -11.064 8.524 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.903 -15.273 7.639 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.205 -14.181 9.126 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.971 -13.816 6.796 1.00 0.00 N ATOM 1067 CA ASN A 69 -5.041 -14.852 7.218 1.00 0.00 C ATOM 1068 C ASN A 69 -4.559 -14.448 8.605 1.00 0.00 C ATOM 1069 O ASN A 69 -5.020 -15.003 9.598 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.839 -15.000 6.269 1.00 0.00 C ATOM 1071 CG ASN A 69 -3.940 -16.119 5.255 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -3.153 -17.060 5.329 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -4.796 -15.984 4.258 1.00 0.00 N ATOM 0 H ASN A 69 -5.521 -12.906 6.699 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.544 -15.819 7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.704 -14.060 5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.943 -15.157 6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.821 -16.677 3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.432 -15.187 4.236 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.682 -13.439 8.691 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.221 -12.925 9.976 1.00 0.00 C ATOM 1082 C GLY A 70 -1.894 -12.178 9.961 1.00 0.00 C ATOM 1083 O GLY A 70 -1.602 -11.510 10.949 1.00 0.00 O ATOM 0 H GLY A 70 -3.280 -12.966 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.986 -12.258 10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.136 -13.761 10.670 1.00 0.00 H new ATOM 1087 N THR A 71 -1.089 -12.262 8.896 1.00 0.00 N ATOM 1088 CA THR A 71 0.151 -11.494 8.851 1.00 0.00 C ATOM 1089 C THR A 71 -0.169 -10.049 8.465 1.00 0.00 C ATOM 1090 O THR A 71 0.189 -9.124 9.189 1.00 0.00 O ATOM 1091 CB THR A 71 1.158 -12.130 7.884 1.00 0.00 C ATOM 1092 OG1 THR A 71 1.163 -13.540 8.003 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.579 -11.620 8.123 1.00 0.00 C ATOM 0 H THR A 71 -1.270 -12.840 8.075 1.00 0.00 H new ATOM 0 HA THR A 71 0.617 -11.498 9.836 1.00 0.00 H new ATOM 0 HB THR A 71 0.839 -11.844 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.812 -13.919 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.260 -12.096 7.417 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.606 -10.540 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.885 -11.861 9.141 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.846 -9.857 7.324 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.270 -8.540 6.900 1.00 0.00 C ATOM 1103 C ALA A 72 -2.465 -8.151 7.757 1.00 0.00 C ATOM 1104 O ALA A 72 -3.441 -8.894 7.852 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.652 -8.555 5.413 1.00 0.00 C ATOM 0 H ALA A 72 -1.106 -10.608 6.685 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.463 -7.817 7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.969 -7.557 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.790 -8.859 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.469 -9.259 5.254 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.396 -6.965 8.344 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.411 -6.364 9.192 1.00 0.00 C ATOM 1113 C LYS A 73 -3.312 -4.849 8.985 1.00 0.00 C ATOM 1114 O LYS A 73 -2.346 -4.363 8.385 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.116 -6.843 10.631 1.00 0.00 C ATOM 1116 CG LYS A 73 -3.793 -6.088 11.774 1.00 0.00 C ATOM 1117 CD LYS A 73 -5.334 -6.102 11.760 1.00 0.00 C ATOM 1118 CE LYS A 73 -5.882 -7.303 12.533 1.00 0.00 C ATOM 1119 NZ LYS A 73 -7.341 -7.215 12.759 1.00 0.00 N ATOM 0 H LYS A 73 -1.581 -6.362 8.233 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.438 -6.649 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.403 -7.892 10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.038 -6.796 10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.452 -6.513 12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.457 -5.051 11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.713 -5.179 12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.691 -6.135 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.657 -8.217 11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.373 -7.375 13.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.662 -8.052 13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.556 -6.357 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.832 -7.173 11.843 1.00 0.00 H new ATOM 1133 N MET A 74 -4.312 -4.083 9.416 1.00 0.00 N ATOM 1134 CA MET A 74 -4.213 -2.648 9.553 1.00 0.00 C ATOM 1135 C MET A 74 -3.899 -2.280 11.012 1.00 0.00 C ATOM 1136 O MET A 74 -4.440 -2.877 11.948 1.00 0.00 O ATOM 1137 CB MET A 74 -5.524 -2.055 9.047 1.00 0.00 C ATOM 1138 CG MET A 74 -6.649 -2.205 10.075 1.00 0.00 C ATOM 1139 SD MET A 74 -8.332 -1.972 9.463 1.00 0.00 S ATOM 1140 CE MET A 74 -8.013 -0.494 8.491 1.00 0.00 C ATOM 0 H MET A 74 -5.223 -4.456 9.681 1.00 0.00 H new ATOM 0 HA MET A 74 -3.395 -2.236 8.962 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.381 -0.999 8.816 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.812 -2.548 8.118 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.580 -3.200 10.514 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.475 -1.489 10.878 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.956 0.003 8.264 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.373 0.183 9.057 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.516 -0.770 7.561 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.075 -1.258 11.197 1.00 0.00 N ATOM 1151 CA PHE A 75 -2.670 -0.697 12.474 1.00 0.00 C ATOM 1152 C PHE A 75 -2.673 0.838 12.466 1.00 0.00 C ATOM 1153 O PHE A 75 -2.362 1.429 13.502 1.00 0.00 O ATOM 1154 CB PHE A 75 -1.278 -1.236 12.830 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.154 -0.717 11.947 1.00 0.00 C ATOM 1156 CD1 PHE A 75 0.155 -1.370 10.740 1.00 0.00 C ATOM 1157 CD2 PHE A 75 0.587 0.419 12.331 1.00 0.00 C ATOM 1158 CE1 PHE A 75 1.209 -0.905 9.935 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.637 0.885 11.522 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.964 0.203 10.339 1.00 0.00 C ATOM 0 H PHE A 75 -2.647 -0.770 10.410 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.395 -1.001 13.229 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.057 -0.979 13.866 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.297 -2.324 12.769 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.419 -2.231 10.431 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.347 0.933 13.250 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.437 -1.403 9.004 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.192 1.766 11.810 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.799 0.534 9.740 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.001 1.511 11.352 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.009 2.967 11.277 1.00 0.00 C ATOM 1172 C LYS A 76 -3.963 3.354 10.163 1.00 0.00 C ATOM 1173 O LYS A 76 -4.089 2.625 9.169 1.00 0.00 O ATOM 1174 CB LYS A 76 -1.584 3.497 11.017 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.546 5.032 11.000 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.130 5.582 10.822 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.165 7.115 10.719 1.00 0.00 C ATOM 1178 NZ LYS A 76 -0.452 7.754 12.019 1.00 0.00 N ATOM 0 H LYS A 76 -3.267 1.053 10.480 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.341 3.408 12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.910 3.124 11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.221 3.113 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.179 5.399 10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.966 5.413 11.931 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.493 5.281 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.322 5.160 9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.793 7.474 10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.924 7.412 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.433 8.788 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.392 7.459 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.266 7.466 12.714 1.00 0.00 H new ATOM 1192 N SER A 77 -4.611 4.497 10.301 1.00 0.00 N ATOM 1193 CA SER A 77 -5.573 5.021 9.360 1.00 0.00 C ATOM 1194 C SER A 77 -5.490 6.547 9.497 1.00 0.00 C ATOM 1195 O SER A 77 -5.547 7.052 10.617 1.00 0.00 O ATOM 1196 CB SER A 77 -6.940 4.401 9.708 1.00 0.00 C ATOM 1197 OG SER A 77 -7.276 4.534 11.078 1.00 0.00 O ATOM 0 H SER A 77 -4.472 5.107 11.106 1.00 0.00 H new ATOM 0 HA SER A 77 -5.392 4.773 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.712 4.875 9.103 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.931 3.344 9.443 1.00 0.00 H new ATOM 0 HG SER A 77 -6.869 5.350 11.437 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.358 7.292 8.402 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.452 8.759 8.355 1.00 0.00 C ATOM 1205 C ASP A 78 -6.647 9.133 7.476 1.00 0.00 C ATOM 1206 O ASP A 78 -7.059 8.342 6.619 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.159 9.371 7.779 1.00 0.00 C ATOM 1208 CG ASP A 78 -3.265 10.018 8.831 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -2.948 9.359 9.843 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -2.826 11.180 8.636 1.00 0.00 O ATOM 0 H ASP A 78 -5.176 6.881 7.487 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.585 9.151 9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.596 8.591 7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.423 10.118 7.031 1.00 0.00 H new ATOM 1215 N ALA A 79 -7.211 10.326 7.657 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.330 10.825 6.868 1.00 0.00 C ATOM 1217 C ALA A 79 -7.828 12.026 6.083 1.00 0.00 C ATOM 1218 O ALA A 79 -7.304 12.977 6.665 1.00 0.00 O ATOM 1219 CB ALA A 79 -9.524 11.135 7.775 1.00 0.00 C ATOM 0 H ALA A 79 -6.895 10.983 8.370 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.695 10.080 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.352 11.507 7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.832 10.227 8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.239 11.892 8.506 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.911 11.945 4.757 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.278 12.881 3.845 1.00 0.00 C ATOM 1227 C ILE A 80 -8.328 13.939 3.534 1.00 0.00 C ATOM 1228 O ILE A 80 -9.355 13.615 2.926 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.812 12.141 2.576 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.895 10.946 2.933 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.108 13.116 1.618 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.506 10.122 1.708 1.00 0.00 C ATOM 0 H ILE A 80 -8.433 11.209 4.281 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.391 13.345 4.276 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.690 11.739 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.993 11.317 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.403 10.304 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.784 12.580 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.799 13.909 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.241 13.551 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.863 9.297 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.405 9.726 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.972 10.754 0.999 1.00 0.00 H new ATOM 1244 N LEU A 81 -8.112 15.170 3.989 1.00 0.00 N ATOM 1245 CA LEU A 81 -8.955 16.288 3.604 1.00 0.00 C ATOM 1246 C LEU A 81 -8.396 16.955 2.345 1.00 0.00 C ATOM 1247 O LEU A 81 -7.197 16.924 2.060 1.00 0.00 O ATOM 1248 CB LEU A 81 -9.137 17.293 4.756 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.832 16.697 5.993 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.866 17.732 7.121 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -11.253 16.223 5.677 1.00 0.00 C ATOM 0 H LEU A 81 -7.355 15.415 4.628 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.949 15.905 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.160 17.677 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.719 18.142 4.397 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.256 15.827 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.359 17.303 7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.847 18.017 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.416 18.613 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.707 15.809 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.848 17.066 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.217 15.456 4.904 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.290 17.589 1.593 1.00 0.00 N ATOM 1264 CA GLY A 82 -9.023 18.429 0.440 1.00 0.00 C ATOM 1265 C GLY A 82 -9.349 19.869 0.801 1.00 0.00 C ATOM 1266 O GLY A 82 -10.194 20.500 0.168 1.00 0.00 O ATOM 0 H GLY A 82 -10.288 17.522 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.978 18.341 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.625 18.107 -0.410 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.673 20.377 1.832 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.664 21.756 2.308 1.00 0.00 C ATOM 1272 C GLN A 83 -10.009 22.193 2.901 1.00 0.00 C ATOM 1273 O GLN A 83 -10.087 22.371 4.117 1.00 0.00 O ATOM 1274 CB GLN A 83 -8.063 22.719 1.266 1.00 0.00 C ATOM 1275 CG GLN A 83 -6.908 22.196 0.382 1.00 0.00 C ATOM 1276 CD GLN A 83 -5.687 21.606 1.100 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -5.717 21.226 2.268 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -4.588 21.452 0.381 1.00 0.00 N ATOM 0 H GLN A 83 -8.069 19.784 2.401 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.983 21.805 3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.868 23.044 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.706 23.603 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.311 21.432 -0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.566 23.018 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.564 21.768 -0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.764 21.017 0.796 1.00 0.00 H new ATOM 1287 N ASN A 84 -11.076 22.301 2.093 1.00 0.00 N ATOM 1288 CA ASN A 84 -12.443 22.688 2.487 1.00 0.00 C ATOM 1289 C ASN A 84 -13.151 21.562 3.260 1.00 0.00 C ATOM 1290 O ASN A 84 -14.308 21.249 2.990 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.308 23.081 1.264 1.00 0.00 C ATOM 1292 CG ASN A 84 -12.709 24.137 0.356 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -12.864 25.334 0.582 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.041 23.730 -0.707 1.00 0.00 N ATOM 0 H ASN A 84 -11.006 22.111 1.093 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.336 23.556 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.500 22.185 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.273 23.440 1.623 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.646 24.413 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.920 22.732 -0.882 1.00 0.00 H new ATOM 1301 N LYS A 85 -12.446 20.872 4.164 1.00 0.00 N ATOM 1302 CA LYS A 85 -12.885 19.649 4.844 1.00 0.00 C ATOM 1303 C LYS A 85 -13.473 18.603 3.879 1.00 0.00 C ATOM 1304 O LYS A 85 -14.343 17.822 4.261 1.00 0.00 O ATOM 1305 CB LYS A 85 -13.862 19.993 5.987 1.00 0.00 C ATOM 1306 CG LYS A 85 -13.245 20.884 7.076 1.00 0.00 C ATOM 1307 CD LYS A 85 -14.219 21.084 8.247 1.00 0.00 C ATOM 1308 CE LYS A 85 -15.288 22.133 7.924 1.00 0.00 C ATOM 1309 NZ LYS A 85 -16.335 22.206 8.962 1.00 0.00 N ATOM 0 H LYS A 85 -11.513 21.164 4.454 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.000 19.182 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.734 20.496 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -14.215 19.068 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.322 20.432 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.980 21.852 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.701 20.136 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.664 21.391 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.815 23.110 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.747 21.896 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.035 22.929 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.806 21.283 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.903 22.458 9.874 1.00 0.00 H new ATOM 1323 N VAL A 86 -13.012 18.557 2.631 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.453 17.554 1.674 1.00 0.00 C ATOM 1325 C VAL A 86 -12.784 16.237 2.044 1.00 0.00 C ATOM 1326 O VAL A 86 -11.588 16.100 1.798 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.086 17.972 0.237 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -13.679 16.961 -0.751 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -13.558 19.397 -0.077 1.00 0.00 C ATOM 0 H VAL A 86 -12.325 19.213 2.259 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.537 17.448 1.709 1.00 0.00 H new ATOM 0 HB VAL A 86 -12.000 17.974 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -13.422 17.253 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -13.274 15.970 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.763 16.940 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.281 19.655 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.641 19.453 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.088 20.097 0.614 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.495 15.270 2.618 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.995 13.903 2.724 1.00 0.00 C ATOM 1341 C VAL A 87 -12.920 13.319 1.306 1.00 0.00 C ATOM 1342 O VAL A 87 -13.879 12.743 0.793 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.804 13.101 3.760 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -15.330 13.269 3.666 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.410 11.621 3.763 1.00 0.00 C ATOM 0 H VAL A 87 -14.423 15.409 3.018 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.982 13.859 3.124 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.530 13.541 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.811 12.666 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.590 14.317 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.672 12.943 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -14.002 11.088 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.595 11.193 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.352 11.527 4.007 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.787 13.527 0.629 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.539 12.955 -0.692 1.00 0.00 C ATOM 1357 C ILE A 88 -11.318 11.447 -0.585 1.00 0.00 C ATOM 1358 O ILE A 88 -11.658 10.700 -1.505 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.358 13.661 -1.401 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.057 13.756 -0.568 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -10.818 15.059 -1.843 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -7.869 14.269 -1.395 1.00 0.00 C ATOM 0 H ILE A 88 -11.018 14.096 0.983 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.422 13.122 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.091 13.040 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.220 14.421 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.816 12.774 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.997 15.571 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.660 14.965 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.124 15.634 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.981 14.317 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.686 13.591 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.096 15.263 -1.779 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.769 10.984 0.532 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.374 9.606 0.709 1.00 0.00 C ATOM 1376 C GLY A 89 -9.649 9.444 2.032 1.00 0.00 C ATOM 1377 O GLY A 89 -9.715 10.319 2.907 1.00 0.00 O ATOM 0 H GLY A 89 -10.586 11.569 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.252 8.961 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.727 9.296 -0.111 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.972 8.309 2.195 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.356 7.942 3.443 1.00 0.00 C ATOM 1383 C TRP A 90 -7.060 7.231 3.130 1.00 0.00 C ATOM 1384 O TRP A 90 -6.950 6.480 2.155 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.296 7.034 4.231 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.583 7.650 4.649 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.804 8.325 5.797 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.832 7.681 3.911 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.090 8.821 5.792 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.793 8.390 4.690 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -12.242 7.179 2.660 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -14.116 8.560 4.264 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.552 7.408 2.202 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.484 8.096 2.994 1.00 0.00 C ATOM 0 H TRP A 90 -8.842 7.622 1.452 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.153 8.824 4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.514 6.154 3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.774 6.686 5.122 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.086 8.456 6.594 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.473 9.431 6.514 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.549 6.617 2.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.841 9.041 4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.845 7.049 1.226 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.484 8.268 2.625 1.00 0.00 H new ATOM 1405 N ASP A 91 -6.097 7.462 4.004 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.811 6.810 3.999 1.00 0.00 C ATOM 1407 C ASP A 91 -5.035 5.541 4.822 1.00 0.00 C ATOM 1408 O ASP A 91 -5.053 5.587 6.059 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.759 7.773 4.587 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.808 8.286 3.505 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.275 7.409 2.797 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.611 9.515 3.383 1.00 0.00 O ATOM 0 H ASP A 91 -6.199 8.135 4.763 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.430 6.546 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.260 8.616 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.189 7.262 5.363 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.395 4.430 4.169 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.466 3.118 4.834 1.00 0.00 C ATOM 1419 C LYS A 92 -4.088 2.466 4.733 1.00 0.00 C ATOM 1420 O LYS A 92 -3.719 2.009 3.648 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.548 2.196 4.231 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.939 2.309 4.885 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.553 3.695 4.692 1.00 0.00 C ATOM 1424 CE LYS A 92 -9.940 3.852 5.332 1.00 0.00 C ATOM 1425 NZ LYS A 92 -9.860 4.138 6.781 1.00 0.00 N ATOM 0 H LYS A 92 -5.642 4.411 3.180 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.752 3.270 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.644 2.420 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.209 1.163 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.602 1.556 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.857 2.094 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.881 4.442 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.630 3.903 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.478 4.658 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.516 2.940 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.820 4.236 7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.370 3.357 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.334 5.022 6.932 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.333 2.399 5.836 1.00 0.00 N ATOM 1440 CA TYR A 93 -2.009 1.786 5.834 1.00 0.00 C ATOM 1441 C TYR A 93 -2.192 0.266 6.010 1.00 0.00 C ATOM 1442 O TYR A 93 -3.300 -0.147 6.375 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.199 2.406 6.980 1.00 0.00 C ATOM 1444 CG TYR A 93 -1.023 3.919 6.987 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -2.074 4.749 7.421 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.224 4.496 6.679 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.876 6.127 7.575 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.433 5.878 6.846 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.623 6.702 7.292 1.00 0.00 C ATOM 1450 OH TYR A 93 -0.458 8.036 7.497 1.00 0.00 O ATOM 0 H TYR A 93 -3.622 2.765 6.743 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.471 1.961 4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.673 2.120 7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.207 1.953 6.973 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.041 4.320 7.637 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.026 3.873 6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.690 6.752 7.913 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.401 6.308 6.633 1.00 0.00 H new ATOM 0 HH TYR A 93 0.458 8.293 7.260 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.148 -0.572 5.883 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.167 -1.993 6.293 1.00 0.00 C ATOM 1462 C PHE A 94 0.234 -2.488 6.689 1.00 0.00 C ATOM 1463 O PHE A 94 1.221 -1.822 6.361 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.693 -2.884 5.154 1.00 0.00 C ATOM 1465 CG PHE A 94 -3.086 -2.540 4.664 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -3.240 -1.589 3.641 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -4.224 -3.080 5.288 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -4.522 -1.167 3.250 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -5.510 -2.673 4.889 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.656 -1.710 3.877 1.00 0.00 C ATOM 0 H PHE A 94 -0.254 -0.280 5.488 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.829 -2.061 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.002 -2.819 4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.688 -3.920 5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.368 -1.180 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.111 -3.810 6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.635 -0.428 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.383 -3.100 5.360 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.643 -1.386 3.580 1.00 0.00 H new ATOM 1480 N GLU A 95 0.318 -3.663 7.332 1.00 0.00 N ATOM 1481 CA GLU A 95 1.547 -4.349 7.773 1.00 0.00 C ATOM 1482 C GLU A 95 1.762 -5.679 7.016 1.00 0.00 C ATOM 1483 O GLU A 95 1.765 -6.761 7.595 1.00 0.00 O ATOM 1484 CB GLU A 95 1.521 -4.511 9.316 1.00 0.00 C ATOM 1485 CG GLU A 95 0.540 -5.549 9.877 1.00 0.00 C ATOM 1486 CD GLU A 95 0.159 -5.351 11.337 1.00 0.00 C ATOM 1487 OE1 GLU A 95 -0.647 -4.447 11.654 1.00 0.00 O ATOM 1488 OE2 GLU A 95 0.625 -6.153 12.177 1.00 0.00 O ATOM 0 H GLU A 95 -0.519 -4.193 7.573 1.00 0.00 H new ATOM 0 HA GLU A 95 2.415 -3.739 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.525 -4.775 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.283 -3.543 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.368 -5.531 9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.979 -6.540 9.763 1.00 0.00 H new ATOM 1495 N ILE A 96 1.869 -5.641 5.692 1.00 0.00 N ATOM 1496 CA ILE A 96 1.888 -6.867 4.883 1.00 0.00 C ATOM 1497 C ILE A 96 3.281 -7.522 5.028 1.00 0.00 C ATOM 1498 O ILE A 96 4.249 -6.809 5.270 1.00 0.00 O ATOM 1499 CB ILE A 96 1.501 -6.486 3.434 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.083 -5.855 3.409 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.492 -7.644 2.417 1.00 0.00 C ATOM 1502 CD1 ILE A 96 -0.036 -4.806 2.314 1.00 0.00 C ATOM 0 H ILE A 96 1.944 -4.779 5.152 1.00 0.00 H new ATOM 0 HA ILE A 96 1.165 -7.612 5.214 1.00 0.00 H new ATOM 0 HB ILE A 96 2.285 -5.793 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.662 -6.635 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.132 -5.400 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.207 -7.264 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.487 -8.086 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.776 -8.402 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.041 -4.383 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.693 -4.014 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.155 -5.268 1.345 1.00 0.00 H new ATOM 1514 N PRO A 97 3.435 -8.846 4.890 1.00 0.00 N ATOM 1515 CA PRO A 97 4.737 -9.492 4.752 1.00 0.00 C ATOM 1516 C PRO A 97 5.466 -9.094 3.465 1.00 0.00 C ATOM 1517 O PRO A 97 4.896 -8.523 2.541 1.00 0.00 O ATOM 1518 CB PRO A 97 4.456 -11.002 4.738 1.00 0.00 C ATOM 1519 CG PRO A 97 2.984 -11.102 4.376 1.00 0.00 C ATOM 1520 CD PRO A 97 2.385 -9.837 4.949 1.00 0.00 C ATOM 0 HA PRO A 97 5.387 -9.187 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.082 -11.517 4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.659 -11.454 5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.840 -11.160 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.526 -11.992 4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.515 -9.520 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.050 -9.992 5.975 1.00 0.00 H new ATOM 1528 N MET A 98 6.718 -9.530 3.376 1.00 0.00 N ATOM 1529 CA MET A 98 7.556 -9.561 2.177 1.00 0.00 C ATOM 1530 C MET A 98 7.781 -10.973 1.660 1.00 0.00 C ATOM 1531 O MET A 98 8.389 -11.135 0.603 1.00 0.00 O ATOM 1532 CB MET A 98 8.923 -8.927 2.475 1.00 0.00 C ATOM 1533 CG MET A 98 8.860 -7.408 2.470 1.00 0.00 C ATOM 1534 SD MET A 98 10.474 -6.606 2.564 1.00 0.00 S ATOM 1535 CE MET A 98 10.264 -5.810 4.163 1.00 0.00 C ATOM 0 H MET A 98 7.209 -9.896 4.192 1.00 0.00 H new ATOM 0 HA MET A 98 7.026 -8.997 1.409 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.279 -9.272 3.446 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.648 -9.262 1.733 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.354 -7.079 1.562 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.252 -7.077 3.312 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.129 -5.181 4.372 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.363 -5.196 4.148 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.172 -6.570 4.939 1.00 0.00 H new ATOM 1545 N ASP A 99 7.267 -11.985 2.351 1.00 0.00 N ATOM 1546 CA ASP A 99 7.538 -13.384 2.050 1.00 0.00 C ATOM 1547 C ASP A 99 6.253 -14.153 1.775 1.00 0.00 C ATOM 1548 O ASP A 99 6.299 -15.384 1.723 1.00 0.00 O ATOM 1549 CB ASP A 99 8.354 -14.009 3.199 1.00 0.00 C ATOM 1550 CG ASP A 99 9.692 -14.562 2.715 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.728 -15.483 1.864 1.00 0.00 O ATOM 1552 OD2 ASP A 99 10.724 -14.053 3.213 1.00 0.00 O ATOM 0 H ASP A 99 6.642 -11.854 3.146 1.00 0.00 H new ATOM 0 HA ASP A 99 8.131 -13.443 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.529 -13.258 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.776 -14.810 3.660 1.00 0.00 H new ATOM 1557 N ALA A 100 5.098 -13.483 1.622 1.00 0.00 N ATOM 1558 CA ALA A 100 3.832 -14.232 1.522 1.00 0.00 C ATOM 1559 C ALA A 100 3.084 -13.892 0.245 1.00 0.00 C ATOM 1560 O ALA A 100 1.937 -14.295 0.048 1.00 0.00 O ATOM 1561 CB ALA A 100 2.964 -14.060 2.770 1.00 0.00 C ATOM 0 H ALA A 100 5.012 -12.468 1.567 1.00 0.00 H new ATOM 0 HA ALA A 100 4.084 -15.291 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.042 -14.629 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.506 -14.423 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.725 -13.005 2.904 1.00 0.00 H new ATOM 1567 N LEU A 101 3.725 -13.094 -0.599 1.00 0.00 N ATOM 1568 CA LEU A 101 3.282 -12.682 -1.897 1.00 0.00 C ATOM 1569 C LEU A 101 3.559 -13.809 -2.877 1.00 0.00 C ATOM 1570 O LEU A 101 4.456 -14.623 -2.672 1.00 0.00 O ATOM 1571 CB LEU A 101 4.090 -11.439 -2.275 1.00 0.00 C ATOM 1572 CG LEU A 101 4.020 -10.299 -1.259 1.00 0.00 C ATOM 1573 CD1 LEU A 101 2.592 -9.844 -0.914 1.00 0.00 C ATOM 1574 CD2 LEU A 101 4.905 -10.453 -0.044 1.00 0.00 C ATOM 0 H LEU A 101 4.634 -12.696 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 101 2.216 -12.455 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.133 -11.727 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.736 -11.071 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 101 4.467 -9.469 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.634 -9.033 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.093 -9.495 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.035 -10.681 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.778 -9.591 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.630 -11.360 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.946 -10.520 -0.359 1.00 0.00 H new ATOM 1586 N GLN A 102 2.806 -13.827 -3.968 1.00 0.00 N ATOM 1587 CA GLN A 102 2.973 -14.773 -5.049 1.00 0.00 C ATOM 1588 C GLN A 102 4.287 -14.562 -5.819 1.00 0.00 C ATOM 1589 O GLN A 102 4.680 -15.409 -6.618 1.00 0.00 O ATOM 1590 CB GLN A 102 1.754 -14.548 -5.949 1.00 0.00 C ATOM 1591 CG GLN A 102 1.596 -15.655 -6.970 1.00 0.00 C ATOM 1592 CD GLN A 102 0.439 -15.390 -7.923 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.557 -14.593 -8.852 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.720 -15.989 -7.690 1.00 0.00 N ATOM 0 H GLN A 102 2.045 -13.166 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 102 3.035 -15.796 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.855 -14.489 -5.335 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.853 -13.592 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.519 -15.757 -7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.433 -16.602 -6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.807 -16.648 -6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.525 -15.791 -8.284 1.00 0.00 H new ATOM 1603 N ASP A 103 4.924 -13.411 -5.650 1.00 0.00 N ATOM 1604 CA ASP A 103 6.039 -12.945 -6.469 1.00 0.00 C ATOM 1605 C ASP A 103 6.894 -12.017 -5.611 1.00 0.00 C ATOM 1606 O ASP A 103 6.476 -11.672 -4.504 1.00 0.00 O ATOM 1607 CB ASP A 103 5.459 -12.183 -7.680 1.00 0.00 C ATOM 1608 CG ASP A 103 6.243 -12.332 -8.978 1.00 0.00 C ATOM 1609 OD1 ASP A 103 7.062 -13.258 -9.117 1.00 0.00 O ATOM 1610 OD2 ASP A 103 5.928 -11.576 -9.930 1.00 0.00 O ATOM 0 H ASP A 103 4.671 -12.752 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 103 6.651 -13.772 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.438 -12.526 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.402 -11.124 -7.429 1.00 0.00 H new ATOM 1615 N ASN A 104 8.025 -11.518 -6.116 1.00 0.00 N ATOM 1616 CA ASN A 104 8.827 -10.502 -5.419 1.00 0.00 C ATOM 1617 C ASN A 104 8.188 -9.112 -5.526 1.00 0.00 C ATOM 1618 O ASN A 104 8.890 -8.104 -5.497 1.00 0.00 O ATOM 1619 CB ASN A 104 10.293 -10.478 -5.900 1.00 0.00 C ATOM 1620 CG ASN A 104 11.038 -11.740 -5.519 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.900 -12.767 -6.172 1.00 0.00 O ATOM 1622 ND2 ASN A 104 11.777 -11.722 -4.423 1.00 0.00 N ATOM 0 H ASN A 104 8.412 -11.804 -7.016 1.00 0.00 H new ATOM 0 HA ASN A 104 8.842 -10.786 -4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.317 -10.356 -6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.801 -9.614 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.244 -12.573 -4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.881 -10.857 -3.892 1.00 0.00 H new ATOM 1629 N SER A 105 6.864 -9.019 -5.667 1.00 0.00 N ATOM 1630 CA SER A 105 6.166 -7.751 -5.756 1.00 0.00 C ATOM 1631 C SER A 105 4.979 -7.758 -4.807 1.00 0.00 C ATOM 1632 O SER A 105 4.255 -8.748 -4.678 1.00 0.00 O ATOM 1633 CB SER A 105 5.809 -7.435 -7.222 1.00 0.00 C ATOM 1634 OG SER A 105 5.074 -8.468 -7.852 1.00 0.00 O ATOM 0 H SER A 105 6.249 -9.831 -5.722 1.00 0.00 H new ATOM 0 HA SER A 105 6.811 -6.933 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.230 -6.512 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.727 -7.257 -7.782 1.00 0.00 H new ATOM 0 HG SER A 105 4.551 -8.954 -7.180 1.00 0.00 H new ATOM 1640 N ILE A 106 4.765 -6.633 -4.133 1.00 0.00 N ATOM 1641 CA ILE A 106 3.548 -6.392 -3.371 1.00 0.00 C ATOM 1642 C ILE A 106 2.486 -5.933 -4.393 1.00 0.00 C ATOM 1643 O ILE A 106 2.824 -5.485 -5.495 1.00 0.00 O ATOM 1644 CB ILE A 106 3.892 -5.388 -2.244 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.918 -5.364 -1.046 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.213 -3.969 -2.738 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.506 -4.810 -1.276 1.00 0.00 C ATOM 0 H ILE A 106 5.432 -5.862 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 106 3.135 -7.262 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 106 4.818 -5.806 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.820 -6.384 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.381 -4.779 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.443 -3.330 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.072 -4.003 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.352 -3.566 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.940 -4.858 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.571 -3.774 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.002 -5.404 -2.038 1.00 0.00 H new ATOM 1659 N GLN A 107 1.193 -6.010 -4.063 1.00 0.00 N ATOM 1660 CA GLN A 107 0.107 -5.329 -4.767 1.00 0.00 C ATOM 1661 C GLN A 107 -1.143 -5.404 -3.888 1.00 0.00 C ATOM 1662 O GLN A 107 -1.364 -6.440 -3.253 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.173 -6.065 -6.088 1.00 0.00 C ATOM 1664 CG GLN A 107 -0.948 -5.208 -7.089 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.393 -6.020 -8.297 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -0.947 -7.138 -8.541 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.389 -5.527 -8.997 1.00 0.00 N ATOM 0 H GLN A 107 0.865 -6.566 -3.273 1.00 0.00 H new ATOM 0 HA GLN A 107 0.375 -4.293 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.772 -6.373 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.738 -6.974 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.821 -4.776 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.323 -4.378 -7.418 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.751 -4.597 -8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.801 -6.074 -9.753 1.00 0.00 H new ATOM 1676 N ILE A 108 -1.989 -4.375 -3.899 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.235 -4.320 -3.137 1.00 0.00 C ATOM 1678 C ILE A 108 -4.390 -4.329 -4.151 1.00 0.00 C ATOM 1679 O ILE A 108 -4.193 -4.040 -5.333 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.185 -3.084 -2.201 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.067 -3.279 -1.140 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.528 -2.852 -1.494 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -1.836 -2.090 -0.199 1.00 0.00 C ATOM 0 H ILE A 108 -1.822 -3.535 -4.453 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.387 -5.177 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.972 -2.208 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.310 -4.155 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.133 -3.497 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.453 -1.978 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.307 -2.687 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.779 -3.726 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.036 -2.330 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.556 -1.213 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.752 -1.881 0.354 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.597 -4.723 -3.737 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.795 -4.675 -4.578 1.00 0.00 C ATOM 1697 C LYS A 109 -8.039 -4.528 -3.704 1.00 0.00 C ATOM 1698 O LYS A 109 -7.958 -4.864 -2.521 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.866 -5.925 -5.479 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.776 -7.270 -4.735 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.599 -8.154 -5.169 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.214 -7.494 -5.038 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.136 -8.457 -5.333 1.00 0.00 N ATOM 0 H LYS A 109 -5.771 -5.087 -2.800 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.746 -3.805 -5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.801 -5.898 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.057 -5.875 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.694 -7.076 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.704 -7.820 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.609 -9.067 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.748 -8.450 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.146 -6.647 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.089 -7.101 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.336 -8.290 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.490 -9.426 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.821 -8.335 -6.316 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.182 -4.041 -4.216 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.402 -4.047 -3.409 1.00 0.00 C ATOM 1719 C ALA A 110 -11.669 -4.042 -4.268 1.00 0.00 C ATOM 1720 O ALA A 110 -11.595 -3.819 -5.469 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.380 -2.832 -2.477 1.00 0.00 C ATOM 0 H ALA A 110 -9.282 -3.652 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.426 -4.969 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.284 -2.824 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.506 -2.887 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.333 -1.919 -3.071 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.836 -4.229 -3.647 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.155 -3.995 -4.244 1.00 0.00 C ATOM 1729 C LEU A 111 -14.342 -2.495 -4.420 1.00 0.00 C ATOM 1730 O LEU A 111 -14.140 -1.748 -3.464 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.227 -4.566 -3.296 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.692 -4.258 -3.677 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -17.094 -4.870 -5.020 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.599 -4.810 -2.574 1.00 0.00 C ATOM 0 H LEU A 111 -12.892 -4.558 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.241 -4.483 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.103 -5.648 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.043 -4.179 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.797 -3.178 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -18.133 -4.621 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.454 -4.472 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.982 -5.953 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.640 -4.604 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.453 -5.887 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.350 -4.333 -1.626 1.00 0.00 H new ATOM 1746 N SER A 112 -14.761 -2.054 -5.601 1.00 0.00 N ATOM 1747 CA SER A 112 -15.070 -0.651 -5.859 1.00 0.00 C ATOM 1748 C SER A 112 -16.594 -0.522 -5.895 1.00 0.00 C ATOM 1749 O SER A 112 -17.180 -0.030 -4.924 1.00 0.00 O ATOM 1750 CB SER A 112 -14.239 -0.163 -7.064 1.00 0.00 C ATOM 1751 OG SER A 112 -14.802 0.892 -7.817 1.00 0.00 O ATOM 0 H SER A 112 -14.897 -2.661 -6.409 1.00 0.00 H new ATOM 0 HA SER A 112 -14.764 0.046 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.262 0.157 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.070 -1.009 -7.730 1.00 0.00 H new ATOM 0 HG SER A 112 -14.577 1.749 -7.399 1.00 0.00 H new ATOM 1757 N SER A 113 -17.254 -1.054 -6.923 1.00 0.00 N ATOM 1758 CA SER A 113 -18.705 -1.090 -7.009 1.00 0.00 C ATOM 1759 C SER A 113 -19.178 -2.401 -7.627 1.00 0.00 C ATOM 1760 O SER A 113 -18.409 -3.066 -8.327 1.00 0.00 O ATOM 1761 CB SER A 113 -19.198 0.152 -7.768 1.00 0.00 C ATOM 1762 OG SER A 113 -19.139 0.000 -9.173 1.00 0.00 O ATOM 0 H SER A 113 -16.787 -1.475 -7.726 1.00 0.00 H new ATOM 0 HA SER A 113 -19.141 -1.058 -6.011 1.00 0.00 H new ATOM 0 HB2 SER A 113 -20.225 0.367 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 113 -18.596 1.013 -7.475 1.00 0.00 H new ATOM 0 HG SER A 113 -19.465 0.817 -9.604 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.448 -2.751 -7.403 1.00 0.00 N ATOM 1769 CA GLY A 114 -21.099 -3.939 -7.938 1.00 0.00 C ATOM 1770 C GLY A 114 -20.355 -5.227 -7.591 1.00 0.00 C ATOM 1771 O GLY A 114 -20.568 -5.814 -6.530 1.00 0.00 O ATOM 0 H GLY A 114 -21.070 -2.190 -6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -22.116 -3.996 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.175 -3.849 -9.022 1.00 0.00 H new ATOM 1775 N THR A 115 -19.492 -5.676 -8.493 1.00 0.00 N ATOM 1776 CA THR A 115 -18.614 -6.829 -8.343 1.00 0.00 C ATOM 1777 C THR A 115 -17.217 -6.542 -8.923 1.00 0.00 C ATOM 1778 O THR A 115 -16.380 -7.448 -8.988 1.00 0.00 O ATOM 1779 CB THR A 115 -19.331 -8.088 -8.833 1.00 0.00 C ATOM 1780 OG1 THR A 115 -18.657 -9.302 -8.559 1.00 0.00 O ATOM 1781 CG2 THR A 115 -19.534 -7.971 -10.316 1.00 0.00 C ATOM 0 H THR A 115 -19.380 -5.220 -9.399 1.00 0.00 H new ATOM 0 HA THR A 115 -18.399 -7.032 -7.294 1.00 0.00 H new ATOM 0 HB THR A 115 -20.271 -8.138 -8.283 1.00 0.00 H new ATOM 0 HG1 THR A 115 -17.689 -9.158 -8.613 1.00 0.00 H new ATOM 0 HG21 THR A 115 -20.045 -8.861 -10.685 1.00 0.00 H new ATOM 0 HG22 THR A 115 -20.138 -7.090 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 115 -18.567 -7.877 -10.809 1.00 0.00 H new ATOM 1789 N THR A 116 -16.946 -5.300 -9.340 1.00 0.00 N ATOM 1790 CA THR A 116 -15.661 -4.908 -9.889 1.00 0.00 C ATOM 1791 C THR A 116 -14.647 -5.041 -8.764 1.00 0.00 C ATOM 1792 O THR A 116 -14.964 -4.906 -7.577 1.00 0.00 O ATOM 1793 CB THR A 116 -15.696 -3.473 -10.465 1.00 0.00 C ATOM 1794 OG1 THR A 116 -14.716 -3.290 -11.467 1.00 0.00 O ATOM 1795 CG2 THR A 116 -15.387 -2.383 -9.443 1.00 0.00 C ATOM 0 H THR A 116 -17.624 -4.539 -9.302 1.00 0.00 H new ATOM 0 HA THR A 116 -15.390 -5.549 -10.728 1.00 0.00 H new ATOM 0 HB THR A 116 -16.717 -3.380 -10.835 1.00 0.00 H new ATOM 0 HG1 THR A 116 -14.767 -2.374 -11.811 1.00 0.00 H new ATOM 0 HG21 THR A 116 -15.432 -1.407 -9.927 1.00 0.00 H new ATOM 0 HG22 THR A 116 -16.119 -2.422 -8.637 1.00 0.00 H new ATOM 0 HG23 THR A 116 -14.389 -2.540 -9.034 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.405 -5.228 -9.150 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.299 -5.323 -8.238 1.00 0.00 C ATOM 1805 C PHE A 117 -11.177 -4.493 -8.832 1.00 0.00 C ATOM 1806 O PHE A 117 -10.761 -4.717 -9.968 1.00 0.00 O ATOM 1807 CB PHE A 117 -11.982 -6.798 -7.987 1.00 0.00 C ATOM 1808 CG PHE A 117 -11.932 -7.107 -6.508 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -13.136 -7.285 -5.802 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -10.703 -7.168 -5.827 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -13.115 -7.567 -4.427 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -10.684 -7.422 -4.443 1.00 0.00 C ATOM 1813 CZ PHE A 117 -11.887 -7.628 -3.746 1.00 0.00 C ATOM 0 H PHE A 117 -13.135 -5.320 -10.129 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.503 -4.919 -7.246 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.738 -7.421 -8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.026 -7.049 -8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -14.080 -7.204 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -9.778 -7.021 -6.364 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -14.039 -7.736 -3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.743 -7.459 -3.915 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.868 -7.833 -2.686 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.787 -3.442 -8.125 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.707 -2.562 -8.518 1.00 0.00 C ATOM 1825 C VAL A 118 -8.415 -3.207 -8.083 1.00 0.00 C ATOM 1826 O VAL A 118 -8.261 -3.535 -6.910 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.898 -1.162 -7.914 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -10.249 -1.098 -6.430 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.782 -0.200 -8.342 1.00 0.00 C ATOM 0 H VAL A 118 -11.225 -3.175 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.691 -2.421 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.824 -0.801 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -10.357 -0.057 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -11.186 -1.626 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.455 -1.565 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.954 0.779 -7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.819 -0.588 -8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.779 -0.106 -9.428 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.486 -3.360 -9.013 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.158 -3.885 -8.769 1.00 0.00 C ATOM 1841 C TYR A 119 -5.202 -2.702 -8.806 1.00 0.00 C ATOM 1842 O TYR A 119 -5.187 -1.966 -9.788 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.877 -4.941 -9.839 1.00 0.00 C ATOM 1844 CG TYR A 119 -6.869 -6.092 -9.796 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -6.684 -7.121 -8.861 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -8.009 -6.104 -10.620 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -7.581 -8.195 -8.787 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -8.908 -7.184 -10.565 1.00 0.00 C ATOM 1849 CZ TYR A 119 -8.686 -8.253 -9.667 1.00 0.00 C ATOM 1850 OH TYR A 119 -9.527 -9.329 -9.621 1.00 0.00 O ATOM 0 H TYR A 119 -7.644 -3.113 -9.990 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.045 -4.373 -7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.910 -4.474 -10.823 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.868 -5.330 -9.704 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -5.839 -7.085 -8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -8.194 -5.282 -11.296 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.428 -8.978 -8.059 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -9.773 -7.197 -11.212 1.00 0.00 H new ATOM 0 HH TYR A 119 -10.237 -9.218 -10.287 1.00 0.00 H new ATOM 1860 N SER A 120 -4.470 -2.440 -7.725 1.00 0.00 N ATOM 1861 CA SER A 120 -3.548 -1.309 -7.674 1.00 0.00 C ATOM 1862 C SER A 120 -2.329 -1.593 -8.565 1.00 0.00 C ATOM 1863 O SER A 120 -2.154 -2.724 -9.021 1.00 0.00 O ATOM 1864 CB SER A 120 -3.169 -1.032 -6.213 1.00 0.00 C ATOM 1865 OG SER A 120 -2.072 -1.799 -5.731 1.00 0.00 O ATOM 0 H SER A 120 -4.498 -2.997 -6.871 1.00 0.00 H new ATOM 0 HA SER A 120 -4.021 -0.408 -8.064 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.930 0.026 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 120 -4.037 -1.227 -5.583 1.00 0.00 H new ATOM 0 HG SER A 120 -1.236 -1.315 -5.898 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.416 -0.626 -8.729 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.171 -0.870 -9.451 1.00 0.00 C ATOM 1873 C GLN A 121 0.672 -1.890 -8.681 1.00 0.00 C ATOM 1874 O GLN A 121 0.603 -1.960 -7.446 1.00 0.00 O ATOM 1875 CB GLN A 121 0.573 0.449 -9.744 1.00 0.00 C ATOM 1876 CG GLN A 121 0.980 1.277 -8.515 1.00 0.00 C ATOM 1877 CD GLN A 121 1.520 2.656 -8.898 1.00 0.00 C ATOM 1878 OE1 GLN A 121 1.113 3.248 -9.886 1.00 0.00 O ATOM 1879 NE2 GLN A 121 2.341 3.259 -8.057 1.00 0.00 N ATOM 0 H GLN A 121 -1.519 0.324 -8.372 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.389 -1.301 -10.428 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.472 0.217 -10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.060 1.067 -10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 121 0.118 1.396 -7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 121 1.739 0.736 -7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.680 2.764 -7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.636 4.220 -8.232 1.00 0.00 H new ATOM 1888 N LYS A 122 1.434 -2.701 -9.413 1.00 0.00 N ATOM 1889 CA LYS A 122 2.328 -3.727 -8.888 1.00 0.00 C ATOM 1890 C LYS A 122 3.703 -3.090 -8.692 1.00 0.00 C ATOM 1891 O LYS A 122 4.045 -2.189 -9.454 1.00 0.00 O ATOM 1892 CB LYS A 122 2.360 -4.882 -9.902 1.00 0.00 C ATOM 1893 CG LYS A 122 2.713 -6.225 -9.263 1.00 0.00 C ATOM 1894 CD LYS A 122 2.635 -7.386 -10.265 1.00 0.00 C ATOM 1895 CE LYS A 122 3.815 -7.341 -11.243 1.00 0.00 C ATOM 1896 NZ LYS A 122 3.858 -8.491 -12.169 1.00 0.00 N ATOM 0 H LYS A 122 1.444 -2.658 -10.432 1.00 0.00 H new ATOM 0 HA LYS A 122 1.997 -4.124 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.387 -4.961 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.087 -4.654 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.719 -6.174 -8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.035 -6.419 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.637 -8.335 -9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.697 -7.333 -10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.761 -6.420 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.745 -7.306 -10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.679 -8.397 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.940 -9.373 -11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.986 -8.514 -12.735 1.00 0.00 H new ATOM 1910 N ILE A 123 4.461 -3.504 -7.677 1.00 0.00 N ATOM 1911 CA ILE A 123 5.742 -2.904 -7.315 1.00 0.00 C ATOM 1912 C ILE A 123 6.653 -4.050 -6.897 1.00 0.00 C ATOM 1913 O ILE A 123 6.475 -4.622 -5.816 1.00 0.00 O ATOM 1914 CB ILE A 123 5.564 -1.826 -6.203 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.523 -0.710 -6.483 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.896 -1.153 -5.838 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.891 0.322 -7.554 1.00 0.00 C ATOM 0 H ILE A 123 4.195 -4.281 -7.072 1.00 0.00 H new ATOM 0 HA ILE A 123 6.188 -2.369 -8.154 1.00 0.00 H new ATOM 0 HB ILE A 123 5.172 -2.415 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.586 -1.184 -6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.334 -0.179 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.726 -0.409 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.596 -1.905 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.312 -0.667 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.083 1.046 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.806 0.838 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.047 -0.183 -8.507 1.00 0.00 H new ATOM 1929 N ASP A 124 7.564 -4.424 -7.793 1.00 0.00 N ATOM 1930 CA ASP A 124 8.638 -5.392 -7.541 1.00 0.00 C ATOM 1931 C ASP A 124 9.639 -4.805 -6.567 1.00 0.00 C ATOM 1932 O ASP A 124 9.886 -3.602 -6.607 1.00 0.00 O ATOM 1933 CB ASP A 124 9.346 -5.785 -8.848 1.00 0.00 C ATOM 1934 CG ASP A 124 9.180 -7.274 -9.136 1.00 0.00 C ATOM 1935 OD1 ASP A 124 9.933 -8.085 -8.563 1.00 0.00 O ATOM 1936 OD2 ASP A 124 8.250 -7.604 -9.916 1.00 0.00 O ATOM 0 H ASP A 124 7.579 -4.053 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 124 8.196 -6.291 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.938 -5.204 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.406 -5.541 -8.779 1.00 0.00 H new ATOM 1941 N PHE A 125 10.241 -5.620 -5.705 1.00 0.00 N ATOM 1942 CA PHE A 125 11.266 -5.188 -4.769 1.00 0.00 C ATOM 1943 C PHE A 125 12.314 -6.284 -4.604 1.00 0.00 C ATOM 1944 O PHE A 125 12.096 -7.440 -4.980 1.00 0.00 O ATOM 1945 CB PHE A 125 10.623 -4.779 -3.432 1.00 0.00 C ATOM 1946 CG PHE A 125 9.942 -5.879 -2.638 1.00 0.00 C ATOM 1947 CD1 PHE A 125 8.604 -6.237 -2.906 1.00 0.00 C ATOM 1948 CD2 PHE A 125 10.633 -6.509 -1.589 1.00 0.00 C ATOM 1949 CE1 PHE A 125 7.975 -7.236 -2.141 1.00 0.00 C ATOM 1950 CE2 PHE A 125 10.002 -7.496 -0.818 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.671 -7.849 -1.086 1.00 0.00 C ATOM 0 H PHE A 125 10.024 -6.615 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 125 11.777 -4.308 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.396 -4.335 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.888 -3.999 -3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 125 8.062 -5.744 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 125 11.655 -6.232 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 125 6.960 -7.531 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 125 10.540 -7.984 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.180 -8.595 -0.479 1.00 0.00 H new ATOM 1961 N GLU A 126 13.460 -5.918 -4.041 1.00 0.00 N ATOM 1962 CA GLU A 126 14.534 -6.838 -3.711 1.00 0.00 C ATOM 1963 C GLU A 126 14.514 -7.022 -2.205 1.00 0.00 C ATOM 1964 O GLU A 126 14.125 -6.104 -1.476 1.00 0.00 O ATOM 1965 CB GLU A 126 15.827 -6.269 -4.289 1.00 0.00 C ATOM 1966 CG GLU A 126 16.088 -6.642 -5.749 1.00 0.00 C ATOM 1967 CD GLU A 126 16.780 -5.508 -6.519 1.00 0.00 C ATOM 1968 OE1 GLU A 126 16.123 -4.473 -6.804 1.00 0.00 O ATOM 1969 OE2 GLU A 126 17.982 -5.651 -6.853 1.00 0.00 O ATOM 0 H GLU A 126 13.670 -4.950 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 126 14.428 -7.832 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.801 -5.183 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.664 -6.616 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 126 16.708 -7.538 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 126 15.143 -6.886 -6.235 1.00 0.00 H new ATOM 1976 N ARG A 127 14.865 -8.232 -1.759 1.00 0.00 N ATOM 1977 CA ARG A 127 14.702 -8.654 -0.377 1.00 0.00 C ATOM 1978 C ARG A 127 16.069 -8.764 0.255 1.00 0.00 C ATOM 1979 O ARG A 127 16.819 -9.707 -0.001 1.00 0.00 O ATOM 1980 CB ARG A 127 13.957 -9.984 -0.273 1.00 0.00 C ATOM 1981 CG ARG A 127 12.620 -10.026 -1.021 1.00 0.00 C ATOM 1982 CD ARG A 127 11.639 -10.916 -0.258 1.00 0.00 C ATOM 1983 NE ARG A 127 12.190 -12.260 -0.009 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.527 -13.417 0.092 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.258 -13.550 -0.279 1.00 0.00 N ATOM 1986 NH2 ARG A 127 12.164 -14.466 0.588 1.00 0.00 N ATOM 0 H ARG A 127 15.274 -8.949 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 127 14.101 -7.913 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.599 -10.776 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.777 -10.203 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.214 -9.019 -1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.767 -10.410 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.387 -10.446 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.713 -11.004 -0.826 1.00 0.00 H new ATOM 0 HE ARG A 127 13.203 -12.314 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.751 -12.750 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.791 -14.452 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.137 -14.380 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.682 -15.361 0.676 1.00 0.00 H new ATOM 2000 N GLU A 128 16.425 -7.746 1.014 1.00 0.00 N ATOM 2001 CA GLU A 128 17.697 -7.647 1.702 1.00 0.00 C ATOM 2002 C GLU A 128 17.969 -8.875 2.559 1.00 0.00 C ATOM 2003 O GLU A 128 19.067 -9.451 2.451 1.00 0.00 O ATOM 2004 CB GLU A 128 17.708 -6.371 2.545 1.00 0.00 C ATOM 2005 CG GLU A 128 19.143 -6.010 2.906 1.00 0.00 C ATOM 2006 CD GLU A 128 19.906 -5.359 1.746 1.00 0.00 C ATOM 2007 OE1 GLU A 128 20.490 -6.096 0.911 1.00 0.00 O ATOM 2008 OE2 GLU A 128 19.876 -4.110 1.647 1.00 0.00 O ATOM 0 H GLU A 128 15.819 -6.941 1.174 1.00 0.00 H new ATOM 0 HA GLU A 128 18.496 -7.600 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 128 17.245 -5.554 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 128 17.120 -6.517 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 128 19.138 -5.330 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 128 19.670 -6.910 3.221 1.00 0.00 H new