USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 TYR OH : rot -141:sc= 0.401 USER MOD Set 1.2: A 121 ASN : amide:sc= -0.308 X(o=0.093,f=-0.39) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0.0648 USER MOD Set 2.2: A 140 ASN :FLIP amide:sc= -0.645 F(o=-4.6!,f=-0.58) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0695 (180deg=-0.349) USER MOD Single : A 15 THR OG1 : rot -55:sc= 0.952 USER MOD Single : A 16 SER OG : rot 116:sc= 0.404 USER MOD Single : A 17 SER OG : rot 54:sc= 0.957 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 1.03 K(o=1,f=-6!) USER MOD Single : A 23 SER OG : rot 54:sc= 1.26 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 72:sc= 1.07 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -57:sc= 0.316 USER MOD Single : A 44 GLN :FLIP amide:sc= -1.19 F(o=-2.6!,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc=-0.00882 (180deg=-0.0714) USER MOD Single : A 60 THR OG1 : rot -160:sc= 0.185 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.943) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 34:sc= 0.14 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.0291 F(o=-0.57,f=-0.029) USER MOD Single : A 79 THR OG1 : rot 179:sc= 1.25 USER MOD Single : A 81 ASN : amide:sc=-0.00752 X(o=-0.0075,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 32:sc= 0.699 USER MOD Single : A 98 SER OG : rot -168:sc= 0.0176 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 160:sc= 0.147! USER MOD Single : A 115 CYS SG : rot 146:sc= 0.273 USER MOD Single : A 117 ASN : amide:sc= 0.477 K(o=0.48,f=-5.3!) USER MOD Single : A 120 TYR OH : rot 159:sc= -0.217 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 THR OG1 : rot -31:sc= 1.25 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 141 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.159) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.557 5.634 -5.937 1.00 30.35 N ATOM 34 CA GLU A 4 21.137 5.397 -5.734 1.00 62.43 C ATOM 35 C GLU A 4 20.869 5.100 -4.261 1.00 44.11 C ATOM 36 O GLU A 4 21.768 4.791 -3.465 1.00 41.42 O ATOM 37 CB GLU A 4 20.552 4.265 -6.591 1.00 2.13 C ATOM 38 CG GLU A 4 21.126 4.117 -7.990 1.00 52.34 C ATOM 39 CD GLU A 4 22.200 3.032 -7.995 1.00 54.54 C ATOM 40 OE1 GLU A 4 23.303 3.255 -7.437 1.00 22.42 O ATOM 41 OE2 GLU A 4 21.889 1.892 -8.392 1.00 44.23 O ATOM 0 HA GLU A 4 20.637 6.312 -6.052 1.00 62.43 H new ATOM 0 HB2 GLU A 4 20.696 3.324 -6.060 1.00 2.13 H new ATOM 0 HB3 GLU A 4 19.477 4.421 -6.677 1.00 2.13 H new ATOM 0 HG2 GLU A 4 20.334 3.861 -8.693 1.00 52.34 H new ATOM 0 HG3 GLU A 4 21.551 5.064 -8.321 1.00 52.34 H new ATOM 48 N GLU A 5 19.594 5.146 -3.920 1.00 62.00 N ATOM 49 CA GLU A 5 19.051 4.656 -2.671 1.00 52.13 C ATOM 50 C GLU A 5 19.016 3.127 -2.731 1.00 21.04 C ATOM 51 O GLU A 5 18.673 2.564 -3.771 1.00 5.52 O ATOM 52 CB GLU A 5 17.662 5.280 -2.561 1.00 30.44 C ATOM 53 CG GLU A 5 16.867 4.854 -1.326 1.00 53.24 C ATOM 54 CD GLU A 5 15.639 5.747 -1.151 1.00 21.32 C ATOM 55 OE1 GLU A 5 15.116 6.277 -2.161 1.00 73.00 O ATOM 56 OE2 GLU A 5 15.255 5.994 0.018 1.00 1.25 O ATOM 0 H GLU A 5 18.881 5.543 -4.533 1.00 62.00 H new ATOM 0 HA GLU A 5 19.640 4.922 -1.794 1.00 52.13 H new ATOM 0 HB2 GLU A 5 17.765 6.365 -2.553 1.00 30.44 H new ATOM 0 HB3 GLU A 5 17.090 5.020 -3.452 1.00 30.44 H new ATOM 0 HG2 GLU A 5 16.557 3.814 -1.426 1.00 53.24 H new ATOM 0 HG3 GLU A 5 17.499 4.915 -0.440 1.00 53.24 H new ATOM 63 N ASP A 6 19.380 2.452 -1.643 1.00 21.31 N ATOM 64 CA ASP A 6 19.349 0.992 -1.528 1.00 13.20 C ATOM 65 C ASP A 6 17.992 0.571 -0.977 1.00 44.55 C ATOM 66 O ASP A 6 17.590 1.102 0.063 1.00 43.53 O ATOM 67 CB ASP A 6 20.429 0.518 -0.548 1.00 12.53 C ATOM 68 CG ASP A 6 20.496 -1.005 -0.425 1.00 5.31 C ATOM 69 OD1 ASP A 6 20.044 -1.725 -1.343 1.00 63.43 O ATOM 70 OD2 ASP A 6 21.005 -1.485 0.608 1.00 5.33 O ATOM 0 H ASP A 6 19.713 2.914 -0.796 1.00 21.31 H new ATOM 0 HA ASP A 6 19.525 0.554 -2.510 1.00 13.20 H new ATOM 0 HB2 ASP A 6 21.399 0.894 -0.875 1.00 12.53 H new ATOM 0 HB3 ASP A 6 20.235 0.948 0.434 1.00 12.53 H new ATOM 75 N PHE A 7 17.304 -0.377 -1.623 1.00 21.01 N ATOM 76 CA PHE A 7 16.006 -0.863 -1.180 1.00 31.13 C ATOM 77 C PHE A 7 16.032 -1.349 0.280 1.00 45.52 C ATOM 78 O PHE A 7 15.174 -0.977 1.080 1.00 31.44 O ATOM 79 CB PHE A 7 15.511 -1.942 -2.159 1.00 44.23 C ATOM 80 CG PHE A 7 14.245 -2.615 -1.680 1.00 11.11 C ATOM 81 CD1 PHE A 7 13.008 -1.959 -1.803 1.00 1.32 C ATOM 82 CD2 PHE A 7 14.305 -3.871 -1.051 1.00 30.02 C ATOM 83 CE1 PHE A 7 11.842 -2.538 -1.280 1.00 71.25 C ATOM 84 CE2 PHE A 7 13.133 -4.462 -0.556 1.00 1.12 C ATOM 85 CZ PHE A 7 11.902 -3.799 -0.665 1.00 42.11 C ATOM 0 H PHE A 7 17.641 -0.828 -2.474 1.00 21.01 H new ATOM 0 HA PHE A 7 15.295 -0.037 -1.190 1.00 31.13 H new ATOM 0 HB2 PHE A 7 15.332 -1.490 -3.135 1.00 44.23 H new ATOM 0 HB3 PHE A 7 16.290 -2.692 -2.293 1.00 44.23 H new ATOM 0 HD1 PHE A 7 12.955 -1.003 -2.303 1.00 1.32 H new ATOM 0 HD2 PHE A 7 15.252 -4.380 -0.949 1.00 30.02 H new ATOM 0 HE1 PHE A 7 10.900 -2.015 -1.350 1.00 71.25 H new ATOM 0 HE2 PHE A 7 13.179 -5.434 -0.088 1.00 1.12 H new ATOM 0 HZ PHE A 7 11.004 -4.256 -0.277 1.00 42.11 H new ATOM 95 N LYS A 8 17.045 -2.128 0.669 1.00 74.43 N ATOM 96 CA LYS A 8 17.217 -2.616 2.038 1.00 74.03 C ATOM 97 C LYS A 8 17.297 -1.456 3.024 1.00 61.01 C ATOM 98 O LYS A 8 16.556 -1.468 4.012 1.00 53.25 O ATOM 99 CB LYS A 8 18.478 -3.488 2.060 1.00 3.41 C ATOM 100 CG LYS A 8 19.010 -3.755 3.468 1.00 22.24 C ATOM 101 CD LYS A 8 20.268 -4.621 3.471 1.00 62.41 C ATOM 102 CE LYS A 8 21.447 -3.816 2.907 1.00 21.31 C ATOM 103 NZ LYS A 8 22.708 -4.581 2.848 1.00 14.20 N ATOM 0 H LYS A 8 17.778 -2.441 0.033 1.00 74.43 H new ATOM 0 HA LYS A 8 16.359 -3.212 2.349 1.00 74.03 H new ATOM 0 HB2 LYS A 8 18.260 -4.440 1.576 1.00 3.41 H new ATOM 0 HB3 LYS A 8 19.257 -3.002 1.472 1.00 3.41 H new ATOM 0 HG2 LYS A 8 19.227 -2.805 3.956 1.00 22.24 H new ATOM 0 HG3 LYS A 8 18.235 -4.246 4.057 1.00 22.24 H new ATOM 0 HD2 LYS A 8 20.492 -4.952 4.485 1.00 62.41 H new ATOM 0 HD3 LYS A 8 20.106 -5.517 2.872 1.00 62.41 H new ATOM 0 HE2 LYS A 8 21.194 -3.470 1.905 1.00 21.31 H new ATOM 0 HE3 LYS A 8 21.598 -2.929 3.522 1.00 21.31 H new ATOM 0 HZ1 LYS A 8 23.461 -3.979 2.458 1.00 14.20 H new ATOM 0 HZ2 LYS A 8 22.972 -4.890 3.805 1.00 14.20 H new ATOM 0 HZ3 LYS A 8 22.580 -5.414 2.239 1.00 14.20 H new ATOM 117 N THR A 9 18.198 -0.502 2.791 1.00 4.32 N ATOM 118 CA THR A 9 18.377 0.633 3.684 1.00 64.14 C ATOM 119 C THR A 9 17.073 1.427 3.791 1.00 31.01 C ATOM 120 O THR A 9 16.628 1.745 4.895 1.00 62.23 O ATOM 121 CB THR A 9 19.512 1.520 3.160 1.00 10.14 C ATOM 122 OG1 THR A 9 20.721 0.806 3.048 1.00 50.32 O ATOM 123 CG2 THR A 9 19.728 2.746 4.059 1.00 34.42 C ATOM 0 H THR A 9 18.819 -0.497 1.982 1.00 4.32 H new ATOM 0 HA THR A 9 18.641 0.276 4.680 1.00 64.14 H new ATOM 0 HB THR A 9 19.210 1.856 2.168 1.00 10.14 H new ATOM 0 HG1 THR A 9 21.422 1.401 2.710 1.00 50.32 H new ATOM 0 HG21 THR A 9 20.540 3.353 3.658 1.00 34.42 H new ATOM 0 HG22 THR A 9 18.814 3.339 4.092 1.00 34.42 H new ATOM 0 HG23 THR A 9 19.984 2.418 5.066 1.00 34.42 H new ATOM 131 N PHE A 10 16.446 1.729 2.649 1.00 72.41 N ATOM 132 CA PHE A 10 15.152 2.392 2.572 1.00 31.25 C ATOM 133 C PHE A 10 14.135 1.698 3.473 1.00 70.34 C ATOM 134 O PHE A 10 13.399 2.368 4.194 1.00 3.54 O ATOM 135 CB PHE A 10 14.690 2.414 1.110 1.00 62.24 C ATOM 136 CG PHE A 10 13.190 2.496 0.908 1.00 23.21 C ATOM 137 CD1 PHE A 10 12.440 1.306 0.789 1.00 10.53 C ATOM 138 CD2 PHE A 10 12.554 3.742 0.781 1.00 62.24 C ATOM 139 CE1 PHE A 10 11.069 1.358 0.502 1.00 32.20 C ATOM 140 CE2 PHE A 10 11.174 3.785 0.526 1.00 25.33 C ATOM 141 CZ PHE A 10 10.437 2.605 0.378 1.00 24.23 C ATOM 0 H PHE A 10 16.839 1.511 1.733 1.00 72.41 H new ATOM 0 HA PHE A 10 15.243 3.419 2.927 1.00 31.25 H new ATOM 0 HB2 PHE A 10 15.155 3.265 0.612 1.00 62.24 H new ATOM 0 HB3 PHE A 10 15.058 1.515 0.616 1.00 62.24 H new ATOM 0 HD1 PHE A 10 12.925 0.350 0.920 1.00 10.53 H new ATOM 0 HD2 PHE A 10 13.120 4.657 0.878 1.00 62.24 H new ATOM 0 HE1 PHE A 10 10.504 0.446 0.377 1.00 32.20 H new ATOM 0 HE2 PHE A 10 10.676 4.740 0.443 1.00 25.33 H new ATOM 0 HZ PHE A 10 9.379 2.654 0.168 1.00 24.23 H new ATOM 151 N LEU A 11 14.101 0.367 3.463 1.00 63.23 N ATOM 152 CA LEU A 11 13.131 -0.417 4.207 1.00 41.21 C ATOM 153 C LEU A 11 13.189 -0.114 5.716 1.00 54.15 C ATOM 154 O LEU A 11 12.132 0.071 6.332 1.00 45.15 O ATOM 155 CB LEU A 11 13.320 -1.909 3.858 1.00 65.23 C ATOM 156 CG LEU A 11 12.143 -2.518 3.077 1.00 73.24 C ATOM 157 CD1 LEU A 11 12.437 -4.003 2.845 1.00 14.14 C ATOM 158 CD2 LEU A 11 10.794 -2.381 3.793 1.00 62.44 C ATOM 0 H LEU A 11 14.758 -0.201 2.928 1.00 63.23 H new ATOM 0 HA LEU A 11 12.120 -0.136 3.912 1.00 41.21 H new ATOM 0 HB2 LEU A 11 14.231 -2.022 3.271 1.00 65.23 H new ATOM 0 HB3 LEU A 11 13.463 -2.473 4.780 1.00 65.23 H new ATOM 0 HG LEU A 11 12.055 -1.967 2.141 1.00 73.24 H new ATOM 0 HD11 LEU A 11 11.614 -4.455 2.292 1.00 14.14 H new ATOM 0 HD12 LEU A 11 13.359 -4.106 2.272 1.00 14.14 H new ATOM 0 HD13 LEU A 11 12.548 -4.506 3.805 1.00 14.14 H new ATOM 0 HD21 LEU A 11 10.011 -2.833 3.184 1.00 62.44 H new ATOM 0 HD22 LEU A 11 10.841 -2.887 4.757 1.00 62.44 H new ATOM 0 HD23 LEU A 11 10.570 -1.326 3.948 1.00 62.44 H new ATOM 170 N GLN A 12 14.394 0.066 6.282 1.00 64.31 N ATOM 171 CA GLN A 12 14.647 0.428 7.692 1.00 45.55 C ATOM 172 C GLN A 12 14.208 1.855 8.065 1.00 10.34 C ATOM 173 O GLN A 12 14.576 2.358 9.131 1.00 22.04 O ATOM 174 CB GLN A 12 16.143 0.310 8.039 1.00 14.11 C ATOM 175 CG GLN A 12 16.759 -1.049 7.727 1.00 63.35 C ATOM 176 CD GLN A 12 17.965 -1.341 8.625 1.00 21.21 C ATOM 177 OE1 GLN A 12 18.980 -0.641 8.634 1.00 10.34 O ATOM 178 NE2 GLN A 12 17.868 -2.353 9.470 1.00 51.23 N ATOM 0 H GLN A 12 15.257 -0.041 5.749 1.00 64.31 H new ATOM 0 HA GLN A 12 14.045 -0.280 8.261 1.00 45.55 H new ATOM 0 HB2 GLN A 12 16.691 1.077 7.493 1.00 14.11 H new ATOM 0 HB3 GLN A 12 16.274 0.519 9.101 1.00 14.11 H new ATOM 0 HG2 GLN A 12 16.009 -1.828 7.860 1.00 63.35 H new ATOM 0 HG3 GLN A 12 17.067 -1.078 6.682 1.00 63.35 H new ATOM 0 HE21 GLN A 12 17.033 -2.938 9.471 1.00 51.23 H new ATOM 0 HE22 GLN A 12 18.628 -2.548 10.121 1.00 51.23 H new ATOM 187 N LYS A 13 13.529 2.553 7.157 1.00 21.34 N ATOM 188 CA LYS A 13 13.119 3.945 7.280 1.00 45.21 C ATOM 189 C LYS A 13 11.685 4.097 6.811 1.00 5.12 C ATOM 190 O LYS A 13 10.885 4.779 7.434 1.00 10.25 O ATOM 191 CB LYS A 13 14.028 4.807 6.402 1.00 73.30 C ATOM 192 CG LYS A 13 15.511 4.611 6.711 1.00 11.11 C ATOM 193 CD LYS A 13 16.354 5.440 5.743 1.00 21.13 C ATOM 194 CE LYS A 13 17.842 5.335 6.067 1.00 1.13 C ATOM 195 NZ LYS A 13 18.148 5.758 7.447 1.00 33.43 N ATOM 0 H LYS A 13 13.236 2.139 6.272 1.00 21.34 H new ATOM 0 HA LYS A 13 13.194 4.259 8.321 1.00 45.21 H new ATOM 0 HB2 LYS A 13 13.846 4.568 5.354 1.00 73.30 H new ATOM 0 HB3 LYS A 13 13.769 5.857 6.540 1.00 73.30 H new ATOM 0 HG2 LYS A 13 15.721 4.910 7.738 1.00 11.11 H new ATOM 0 HG3 LYS A 13 15.774 3.557 6.626 1.00 11.11 H new ATOM 0 HD2 LYS A 13 16.178 5.100 4.722 1.00 21.13 H new ATOM 0 HD3 LYS A 13 16.043 6.484 5.790 1.00 21.13 H new ATOM 0 HE2 LYS A 13 18.170 4.306 5.924 1.00 1.13 H new ATOM 0 HE3 LYS A 13 18.408 5.950 5.367 1.00 1.13 H new ATOM 0 HZ1 LYS A 13 19.174 5.897 7.548 1.00 33.43 H new ATOM 0 HZ2 LYS A 13 17.656 6.650 7.654 1.00 33.43 H new ATOM 0 HZ3 LYS A 13 17.831 5.025 8.113 1.00 33.43 H new ATOM 209 N PHE A 14 11.338 3.436 5.708 1.00 5.44 N ATOM 210 CA PHE A 14 9.993 3.380 5.174 1.00 31.21 C ATOM 211 C PHE A 14 9.032 2.828 6.223 1.00 70.34 C ATOM 212 O PHE A 14 7.903 3.305 6.315 1.00 44.11 O ATOM 213 CB PHE A 14 10.002 2.530 3.902 1.00 14.11 C ATOM 214 CG PHE A 14 8.701 2.561 3.126 1.00 1.11 C ATOM 215 CD1 PHE A 14 8.262 3.756 2.521 1.00 5.22 C ATOM 216 CD2 PHE A 14 7.952 1.383 2.964 1.00 23.34 C ATOM 217 CE1 PHE A 14 7.093 3.763 1.739 1.00 3.24 C ATOM 218 CE2 PHE A 14 6.772 1.395 2.204 1.00 42.23 C ATOM 219 CZ PHE A 14 6.340 2.585 1.594 1.00 14.13 C ATOM 0 H PHE A 14 12.011 2.911 5.150 1.00 5.44 H new ATOM 0 HA PHE A 14 9.646 4.381 4.918 1.00 31.21 H new ATOM 0 HB2 PHE A 14 10.807 2.875 3.253 1.00 14.11 H new ATOM 0 HB3 PHE A 14 10.228 1.498 4.170 1.00 14.11 H new ATOM 0 HD1 PHE A 14 8.824 4.668 2.658 1.00 5.22 H new ATOM 0 HD2 PHE A 14 8.285 0.465 3.426 1.00 23.34 H new ATOM 0 HE1 PHE A 14 6.774 4.672 1.251 1.00 3.24 H new ATOM 0 HE2 PHE A 14 6.196 0.489 2.088 1.00 42.23 H new ATOM 0 HZ PHE A 14 5.429 2.594 1.014 1.00 14.13 H new ATOM 229 N THR A 15 9.492 1.884 7.045 1.00 31.53 N ATOM 230 CA THR A 15 8.713 1.286 8.124 1.00 70.35 C ATOM 231 C THR A 15 9.114 1.828 9.502 1.00 2.43 C ATOM 232 O THR A 15 8.840 1.192 10.519 1.00 43.01 O ATOM 233 CB THR A 15 8.769 -0.245 8.001 1.00 42.05 C ATOM 234 OG1 THR A 15 10.072 -0.813 7.914 1.00 54.32 O ATOM 235 CG2 THR A 15 8.024 -0.692 6.747 1.00 14.31 C ATOM 0 H THR A 15 10.437 1.507 6.976 1.00 31.53 H new ATOM 0 HA THR A 15 7.668 1.579 8.025 1.00 70.35 H new ATOM 0 HB THR A 15 8.318 -0.597 8.929 1.00 42.05 H new ATOM 0 HG1 THR A 15 10.561 -0.397 7.174 1.00 54.32 H new ATOM 0 HG21 THR A 15 8.067 -1.778 6.666 1.00 14.31 H new ATOM 0 HG22 THR A 15 6.983 -0.374 6.809 1.00 14.31 H new ATOM 0 HG23 THR A 15 8.488 -0.244 5.869 1.00 14.31 H new ATOM 243 N SER A 16 9.790 2.979 9.545 1.00 32.42 N ATOM 244 CA SER A 16 10.255 3.605 10.773 1.00 50.02 C ATOM 245 C SER A 16 10.498 5.100 10.508 1.00 33.32 C ATOM 246 O SER A 16 11.605 5.583 10.727 1.00 3.12 O ATOM 247 CB SER A 16 11.484 2.844 11.337 1.00 12.31 C ATOM 248 OG SER A 16 12.026 1.862 10.461 1.00 63.34 O ATOM 0 H SER A 16 10.031 3.508 8.707 1.00 32.42 H new ATOM 0 HA SER A 16 9.499 3.543 11.556 1.00 50.02 H new ATOM 0 HB2 SER A 16 12.263 3.567 11.578 1.00 12.31 H new ATOM 0 HB3 SER A 16 11.198 2.361 12.271 1.00 12.31 H new ATOM 0 HG SER A 16 12.939 2.115 10.211 1.00 63.34 H new ATOM 254 N SER A 17 9.502 5.789 9.927 1.00 61.42 N ATOM 255 CA SER A 17 9.372 7.238 9.761 1.00 4.42 C ATOM 256 C SER A 17 8.129 7.522 8.903 1.00 4.32 C ATOM 257 O SER A 17 8.180 7.387 7.677 1.00 23.45 O ATOM 258 CB SER A 17 10.610 7.879 9.108 1.00 25.43 C ATOM 259 OG SER A 17 11.686 8.195 9.971 1.00 74.33 O ATOM 0 H SER A 17 8.700 5.300 9.529 1.00 61.42 H new ATOM 0 HA SER A 17 9.276 7.681 10.752 1.00 4.42 H new ATOM 0 HB2 SER A 17 10.978 7.202 8.337 1.00 25.43 H new ATOM 0 HB3 SER A 17 10.296 8.794 8.605 1.00 25.43 H new ATOM 0 HG SER A 17 11.943 7.397 10.479 1.00 74.33 H new ATOM 265 N ALA A 18 7.009 7.933 9.502 1.00 22.35 N ATOM 266 CA ALA A 18 5.756 8.187 8.797 1.00 34.51 C ATOM 267 C ALA A 18 5.887 9.260 7.709 1.00 63.14 C ATOM 268 O ALA A 18 5.480 9.037 6.566 1.00 51.00 O ATOM 269 CB ALA A 18 4.669 8.564 9.799 1.00 41.31 C ATOM 0 H ALA A 18 6.949 8.101 10.506 1.00 22.35 H new ATOM 0 HA ALA A 18 5.480 7.266 8.284 1.00 34.51 H new ATOM 0 HB1 ALA A 18 3.735 8.753 9.269 1.00 41.31 H new ATOM 0 HB2 ALA A 18 4.526 7.747 10.506 1.00 41.31 H new ATOM 0 HB3 ALA A 18 4.968 9.462 10.339 1.00 41.31 H new ATOM 275 N SER A 19 6.465 10.426 8.006 1.00 30.55 N ATOM 276 CA SER A 19 6.692 11.425 6.968 1.00 41.01 C ATOM 277 C SER A 19 7.705 10.928 5.932 1.00 25.44 C ATOM 278 O SER A 19 7.593 11.320 4.776 1.00 72.42 O ATOM 279 CB SER A 19 7.111 12.777 7.553 1.00 52.43 C ATOM 280 OG SER A 19 5.987 13.522 7.990 1.00 12.41 O ATOM 0 H SER A 19 6.778 10.696 8.939 1.00 30.55 H new ATOM 0 HA SER A 19 5.741 11.580 6.459 1.00 41.01 H new ATOM 0 HB2 SER A 19 7.792 12.618 8.389 1.00 52.43 H new ATOM 0 HB3 SER A 19 7.657 13.347 6.801 1.00 52.43 H new ATOM 0 HG SER A 19 6.286 14.379 8.360 1.00 12.41 H new ATOM 286 N PHE A 20 8.646 10.032 6.258 1.00 71.33 N ATOM 287 CA PHE A 20 9.511 9.443 5.232 1.00 23.04 C ATOM 288 C PHE A 20 8.716 8.495 4.326 1.00 45.14 C ATOM 289 O PHE A 20 8.926 8.529 3.114 1.00 11.51 O ATOM 290 CB PHE A 20 10.706 8.735 5.862 1.00 25.34 C ATOM 291 CG PHE A 20 11.671 8.095 4.885 1.00 32.23 C ATOM 292 CD1 PHE A 20 12.756 8.811 4.350 1.00 22.03 C ATOM 293 CD2 PHE A 20 11.498 6.744 4.546 1.00 22.42 C ATOM 294 CE1 PHE A 20 13.685 8.156 3.520 1.00 74.13 C ATOM 295 CE2 PHE A 20 12.404 6.095 3.692 1.00 3.52 C ATOM 296 CZ PHE A 20 13.513 6.799 3.191 1.00 73.34 C ATOM 0 H PHE A 20 8.825 9.705 7.207 1.00 71.33 H new ATOM 0 HA PHE A 20 9.897 10.252 4.611 1.00 23.04 H new ATOM 0 HB2 PHE A 20 11.254 9.455 6.469 1.00 25.34 H new ATOM 0 HB3 PHE A 20 10.335 7.964 6.538 1.00 25.34 H new ATOM 0 HD1 PHE A 20 12.876 9.860 4.575 1.00 22.03 H new ATOM 0 HD2 PHE A 20 10.658 6.197 4.947 1.00 22.42 H new ATOM 0 HE1 PHE A 20 14.535 8.698 3.133 1.00 74.13 H new ATOM 0 HE2 PHE A 20 12.250 5.061 3.422 1.00 3.52 H new ATOM 0 HZ PHE A 20 14.230 6.300 2.556 1.00 73.34 H new ATOM 306 N GLN A 21 7.791 7.691 4.872 1.00 34.15 N ATOM 307 CA GLN A 21 6.815 6.913 4.110 1.00 71.01 C ATOM 308 C GLN A 21 6.173 7.847 3.074 1.00 33.15 C ATOM 309 O GLN A 21 6.373 7.654 1.874 1.00 64.30 O ATOM 310 CB GLN A 21 5.812 6.188 5.026 1.00 12.33 C ATOM 311 CG GLN A 21 4.877 5.281 4.204 1.00 23.22 C ATOM 312 CD GLN A 21 4.374 4.050 4.951 1.00 3.42 C ATOM 313 OE1 GLN A 21 3.185 3.767 4.944 1.00 61.51 O ATOM 314 NE2 GLN A 21 5.250 3.271 5.559 1.00 53.02 N ATOM 0 H GLN A 21 7.703 7.564 5.880 1.00 34.15 H new ATOM 0 HA GLN A 21 7.304 6.100 3.574 1.00 71.01 H new ATOM 0 HB2 GLN A 21 6.351 5.591 5.762 1.00 12.33 H new ATOM 0 HB3 GLN A 21 5.223 6.920 5.579 1.00 12.33 H new ATOM 0 HG2 GLN A 21 4.019 5.867 3.876 1.00 23.22 H new ATOM 0 HG3 GLN A 21 5.403 4.956 3.306 1.00 23.22 H new ATOM 0 HE21 GLN A 21 6.240 3.518 5.558 1.00 53.02 H new ATOM 0 HE22 GLN A 21 4.937 2.422 6.030 1.00 53.02 H new ATOM 323 N TYR A 22 5.500 8.913 3.523 1.00 12.21 N ATOM 324 CA TYR A 22 4.881 9.911 2.648 1.00 52.54 C ATOM 325 C TYR A 22 5.878 10.540 1.661 1.00 61.34 C ATOM 326 O TYR A 22 5.586 10.609 0.463 1.00 21.31 O ATOM 327 CB TYR A 22 4.143 10.966 3.486 1.00 52.13 C ATOM 328 CG TYR A 22 2.843 10.472 4.098 1.00 25.21 C ATOM 329 CD1 TYR A 22 1.783 10.058 3.267 1.00 44.23 C ATOM 330 CD2 TYR A 22 2.680 10.442 5.495 1.00 1.02 C ATOM 331 CE1 TYR A 22 0.575 9.603 3.824 1.00 62.24 C ATOM 332 CE2 TYR A 22 1.475 9.994 6.059 1.00 33.25 C ATOM 333 CZ TYR A 22 0.420 9.559 5.229 1.00 13.41 C ATOM 334 OH TYR A 22 -0.740 9.157 5.807 1.00 64.24 O ATOM 0 H TYR A 22 5.369 9.107 4.516 1.00 12.21 H new ATOM 0 HA TYR A 22 4.148 9.397 2.026 1.00 52.54 H new ATOM 0 HB2 TYR A 22 4.802 11.306 4.285 1.00 52.13 H new ATOM 0 HB3 TYR A 22 3.931 11.831 2.857 1.00 52.13 H new ATOM 0 HD1 TYR A 22 1.899 10.090 2.194 1.00 44.23 H new ATOM 0 HD2 TYR A 22 3.486 10.765 6.137 1.00 1.02 H new ATOM 0 HE1 TYR A 22 -0.233 9.288 3.180 1.00 62.24 H new ATOM 0 HE2 TYR A 22 1.355 9.982 7.132 1.00 33.25 H new ATOM 0 HH TYR A 22 -0.650 9.195 6.782 1.00 64.24 H new ATOM 344 N SER A 23 7.087 10.906 2.099 1.00 41.14 N ATOM 345 CA SER A 23 8.131 11.496 1.254 1.00 12.11 C ATOM 346 C SER A 23 8.559 10.565 0.111 1.00 12.22 C ATOM 347 O SER A 23 9.210 11.011 -0.841 1.00 24.33 O ATOM 348 CB SER A 23 9.379 11.829 2.087 1.00 53.52 C ATOM 349 OG SER A 23 9.142 12.752 3.132 1.00 24.45 O ATOM 0 H SER A 23 7.373 10.798 3.072 1.00 41.14 H new ATOM 0 HA SER A 23 7.698 12.401 0.827 1.00 12.11 H new ATOM 0 HB2 SER A 23 9.776 10.907 2.513 1.00 53.52 H new ATOM 0 HB3 SER A 23 10.147 12.232 1.427 1.00 53.52 H new ATOM 0 HG SER A 23 8.405 12.430 3.692 1.00 24.45 H new ATOM 355 N ARG A 24 8.249 9.270 0.190 1.00 14.33 N ATOM 356 CA ARG A 24 8.658 8.244 -0.752 1.00 2.43 C ATOM 357 C ARG A 24 7.457 7.767 -1.565 1.00 63.04 C ATOM 358 O ARG A 24 7.551 6.717 -2.183 1.00 53.12 O ATOM 359 CB ARG A 24 9.316 7.091 0.028 1.00 10.22 C ATOM 360 CG ARG A 24 10.698 7.302 0.687 1.00 3.55 C ATOM 361 CD ARG A 24 11.311 8.705 0.843 1.00 30.43 C ATOM 362 NE ARG A 24 11.606 9.381 -0.432 1.00 51.34 N ATOM 363 CZ ARG A 24 12.501 8.990 -1.346 1.00 34.14 C ATOM 364 NH1 ARG A 24 13.227 7.895 -1.160 1.00 24.14 N ATOM 365 NH2 ARG A 24 12.688 9.728 -2.427 1.00 64.10 N ATOM 0 H ARG A 24 7.680 8.898 0.950 1.00 14.33 H new ATOM 0 HA ARG A 24 9.385 8.646 -1.458 1.00 2.43 H new ATOM 0 HB2 ARG A 24 8.623 6.793 0.814 1.00 10.22 H new ATOM 0 HB3 ARG A 24 9.407 6.246 -0.655 1.00 10.22 H new ATOM 0 HG2 ARG A 24 10.642 6.869 1.686 1.00 3.55 H new ATOM 0 HG3 ARG A 24 11.413 6.706 0.120 1.00 3.55 H new ATOM 0 HD2 ARG A 24 10.626 9.326 1.421 1.00 30.43 H new ATOM 0 HD3 ARG A 24 12.232 8.624 1.420 1.00 30.43 H new ATOM 0 HE ARG A 24 11.077 10.229 -0.638 1.00 51.34 H new ATOM 0 HH11 ARG A 24 13.106 7.341 -0.312 1.00 24.14 H new ATOM 0 HH12 ARG A 24 13.906 7.608 -1.865 1.00 24.14 H new ATOM 0 HH21 ARG A 24 12.152 10.586 -2.558 1.00 64.10 H new ATOM 0 HH22 ARG A 24 13.368 9.439 -3.130 1.00 64.10 H new ATOM 379 N ILE A 25 6.330 8.479 -1.590 1.00 31.43 N ATOM 380 CA ILE A 25 5.147 8.083 -2.345 1.00 51.44 C ATOM 381 C ILE A 25 4.815 9.229 -3.304 1.00 3.14 C ATOM 382 O ILE A 25 4.531 10.342 -2.857 1.00 41.22 O ATOM 383 CB ILE A 25 4.002 7.711 -1.376 1.00 33.34 C ATOM 384 CG1 ILE A 25 4.366 6.506 -0.478 1.00 43.23 C ATOM 385 CG2 ILE A 25 2.727 7.358 -2.162 1.00 63.41 C ATOM 386 CD1 ILE A 25 3.588 6.505 0.833 1.00 45.41 C ATOM 0 H ILE A 25 6.214 9.355 -1.081 1.00 31.43 H new ATOM 0 HA ILE A 25 5.316 7.186 -2.941 1.00 51.44 H new ATOM 0 HB ILE A 25 3.834 8.583 -0.744 1.00 33.34 H new ATOM 0 HG12 ILE A 25 4.166 5.580 -1.017 1.00 43.23 H new ATOM 0 HG13 ILE A 25 5.435 6.525 -0.264 1.00 43.23 H new ATOM 0 HG21 ILE A 25 1.930 7.098 -1.465 1.00 63.41 H new ATOM 0 HG22 ILE A 25 2.420 8.215 -2.761 1.00 63.41 H new ATOM 0 HG23 ILE A 25 2.927 6.510 -2.817 1.00 63.41 H new ATOM 0 HD11 ILE A 25 3.879 5.639 1.428 1.00 45.41 H new ATOM 0 HD12 ILE A 25 3.808 7.417 1.387 1.00 45.41 H new ATOM 0 HD13 ILE A 25 2.520 6.458 0.622 1.00 45.41 H new ATOM 398 N LYS A 26 4.871 8.994 -4.622 1.00 3.55 N ATOM 399 CA LYS A 26 4.278 9.936 -5.573 1.00 43.50 C ATOM 400 C LYS A 26 2.770 9.911 -5.370 1.00 21.31 C ATOM 401 O LYS A 26 2.178 8.862 -5.113 1.00 53.14 O ATOM 402 CB LYS A 26 4.586 9.591 -7.048 1.00 45.43 C ATOM 403 CG LYS A 26 5.728 10.417 -7.664 1.00 33.21 C ATOM 404 CD LYS A 26 7.108 9.939 -7.211 1.00 24.33 C ATOM 405 CE LYS A 26 8.205 10.961 -7.518 1.00 63.00 C ATOM 406 NZ LYS A 26 8.569 11.080 -8.949 1.00 32.35 N ATOM 0 H LYS A 26 5.312 8.177 -5.045 1.00 3.55 H new ATOM 0 HA LYS A 26 4.708 10.919 -5.382 1.00 43.50 H new ATOM 0 HB2 LYS A 26 4.840 8.533 -7.117 1.00 45.43 H new ATOM 0 HB3 LYS A 26 3.684 9.741 -7.641 1.00 45.43 H new ATOM 0 HG2 LYS A 26 5.667 10.361 -8.751 1.00 33.21 H new ATOM 0 HG3 LYS A 26 5.602 11.465 -7.391 1.00 33.21 H new ATOM 0 HD2 LYS A 26 7.088 9.741 -6.139 1.00 24.33 H new ATOM 0 HD3 LYS A 26 7.344 8.996 -7.705 1.00 24.33 H new ATOM 0 HE2 LYS A 26 7.881 11.938 -7.159 1.00 63.00 H new ATOM 0 HE3 LYS A 26 9.098 10.694 -6.953 1.00 63.00 H new ATOM 0 HZ1 LYS A 26 9.317 11.794 -9.059 1.00 32.35 H new ATOM 0 HZ2 LYS A 26 8.912 10.162 -9.297 1.00 32.35 H new ATOM 0 HZ3 LYS A 26 7.733 11.368 -9.497 1.00 32.35 H new ATOM 420 N PHE A 27 2.143 11.054 -5.601 1.00 71.43 N ATOM 421 CA PHE A 27 0.709 11.161 -5.813 1.00 4.32 C ATOM 422 C PHE A 27 0.484 11.971 -7.094 1.00 23.22 C ATOM 423 O PHE A 27 1.354 12.774 -7.451 1.00 52.13 O ATOM 424 CB PHE A 27 0.028 11.798 -4.588 1.00 74.04 C ATOM 425 CG PHE A 27 0.643 13.101 -4.111 1.00 54.12 C ATOM 426 CD1 PHE A 27 0.265 14.331 -4.683 1.00 64.02 C ATOM 427 CD2 PHE A 27 1.618 13.077 -3.097 1.00 53.12 C ATOM 428 CE1 PHE A 27 0.869 15.522 -4.244 1.00 30.04 C ATOM 429 CE2 PHE A 27 2.227 14.266 -2.663 1.00 14.33 C ATOM 430 CZ PHE A 27 1.850 15.494 -3.237 1.00 71.40 C ATOM 0 H PHE A 27 2.627 11.951 -5.647 1.00 71.43 H new ATOM 0 HA PHE A 27 0.258 10.176 -5.933 1.00 4.32 H new ATOM 0 HB2 PHE A 27 -1.021 11.976 -4.827 1.00 74.04 H new ATOM 0 HB3 PHE A 27 0.051 11.082 -3.766 1.00 74.04 H new ATOM 0 HD1 PHE A 27 -0.487 14.359 -5.457 1.00 64.02 H new ATOM 0 HD2 PHE A 27 1.901 12.136 -2.648 1.00 53.12 H new ATOM 0 HE1 PHE A 27 0.578 16.465 -4.683 1.00 30.04 H new ATOM 0 HE2 PHE A 27 2.982 14.238 -1.891 1.00 14.33 H new ATOM 0 HZ PHE A 27 2.312 16.412 -2.905 1.00 71.40 H new ATOM 440 N PRO A 28 -0.677 11.834 -7.755 1.00 12.34 N ATOM 441 CA PRO A 28 -1.661 10.775 -7.554 1.00 21.23 C ATOM 442 C PRO A 28 -1.122 9.416 -8.050 1.00 64.31 C ATOM 443 O PRO A 28 -0.079 9.347 -8.703 1.00 50.12 O ATOM 444 CB PRO A 28 -2.906 11.219 -8.327 1.00 65.21 C ATOM 445 CG PRO A 28 -2.515 12.470 -9.113 1.00 52.54 C ATOM 446 CD PRO A 28 -1.011 12.619 -8.925 1.00 65.04 C ATOM 0 HA PRO A 28 -1.891 10.627 -6.499 1.00 21.23 H new ATOM 0 HB2 PRO A 28 -3.245 10.431 -8.999 1.00 65.21 H new ATOM 0 HB3 PRO A 28 -3.729 11.433 -7.645 1.00 65.21 H new ATOM 0 HG2 PRO A 28 -2.770 12.366 -10.168 1.00 52.54 H new ATOM 0 HG3 PRO A 28 -3.045 13.347 -8.742 1.00 52.54 H new ATOM 0 HD2 PRO A 28 -0.471 12.262 -9.802 1.00 65.04 H new ATOM 0 HD3 PRO A 28 -0.737 13.665 -8.785 1.00 65.04 H new ATOM 454 N LEU A 29 -1.838 8.335 -7.739 1.00 70.43 N ATOM 455 CA LEU A 29 -1.431 6.939 -7.943 1.00 3.14 C ATOM 456 C LEU A 29 -1.888 6.427 -9.318 1.00 63.42 C ATOM 457 O LEU A 29 -2.016 7.238 -10.240 1.00 71.40 O ATOM 458 CB LEU A 29 -1.984 6.114 -6.772 1.00 24.35 C ATOM 459 CG LEU A 29 -1.373 6.513 -5.416 1.00 74.43 C ATOM 460 CD1 LEU A 29 -2.244 5.931 -4.317 1.00 52.31 C ATOM 461 CD2 LEU A 29 0.062 6.017 -5.249 1.00 53.32 C ATOM 0 H LEU A 29 -2.764 8.410 -7.317 1.00 70.43 H new ATOM 0 HA LEU A 29 -0.345 6.846 -7.951 1.00 3.14 H new ATOM 0 HB2 LEU A 29 -3.066 6.236 -6.727 1.00 24.35 H new ATOM 0 HB3 LEU A 29 -1.790 5.057 -6.955 1.00 24.35 H new ATOM 0 HG LEU A 29 -1.338 7.601 -5.363 1.00 74.43 H new ATOM 0 HD11 LEU A 29 -1.831 6.200 -3.345 1.00 52.31 H new ATOM 0 HD12 LEU A 29 -3.255 6.329 -4.405 1.00 52.31 H new ATOM 0 HD13 LEU A 29 -2.272 4.845 -4.411 1.00 52.31 H new ATOM 0 HD21 LEU A 29 0.443 6.326 -4.276 1.00 53.32 H new ATOM 0 HD22 LEU A 29 0.081 4.929 -5.317 1.00 53.32 H new ATOM 0 HD23 LEU A 29 0.687 6.441 -6.035 1.00 53.32 H new ATOM 473 N LYS A 30 -2.053 5.108 -9.509 1.00 62.04 N ATOM 474 CA LYS A 30 -2.334 4.513 -10.825 1.00 62.33 C ATOM 475 C LYS A 30 -3.439 3.444 -10.865 1.00 31.05 C ATOM 476 O LYS A 30 -4.147 3.403 -11.865 1.00 21.04 O ATOM 477 CB LYS A 30 -1.044 3.989 -11.454 1.00 25.34 C ATOM 478 CG LYS A 30 -0.038 5.097 -11.794 1.00 62.13 C ATOM 479 CD LYS A 30 0.932 4.658 -12.895 1.00 52.41 C ATOM 480 CE LYS A 30 1.772 5.856 -13.354 1.00 10.12 C ATOM 481 NZ LYS A 30 2.464 5.567 -14.622 1.00 42.20 N ATOM 0 H LYS A 30 -1.995 4.424 -8.755 1.00 62.04 H new ATOM 0 HA LYS A 30 -2.744 5.332 -11.416 1.00 62.33 H new ATOM 0 HB2 LYS A 30 -0.576 3.281 -10.770 1.00 25.34 H new ATOM 0 HB3 LYS A 30 -1.289 3.439 -12.363 1.00 25.34 H new ATOM 0 HG2 LYS A 30 -0.574 5.990 -12.115 1.00 62.13 H new ATOM 0 HG3 LYS A 30 0.524 5.367 -10.900 1.00 62.13 H new ATOM 0 HD2 LYS A 30 1.583 3.866 -12.525 1.00 52.41 H new ATOM 0 HD3 LYS A 30 0.377 4.246 -13.738 1.00 52.41 H new ATOM 0 HE2 LYS A 30 1.130 6.728 -13.478 1.00 10.12 H new ATOM 0 HE3 LYS A 30 2.504 6.106 -12.586 1.00 10.12 H new ATOM 0 HZ1 LYS A 30 3.024 6.395 -14.908 1.00 42.20 H new ATOM 0 HZ2 LYS A 30 3.094 4.749 -14.495 1.00 42.20 H new ATOM 0 HZ3 LYS A 30 1.763 5.352 -15.359 1.00 42.20 H new ATOM 495 N SER A 31 -3.633 2.606 -9.848 1.00 3.14 N ATOM 496 CA SER A 31 -4.732 1.681 -9.592 1.00 22.11 C ATOM 497 C SER A 31 -6.023 2.448 -9.268 1.00 74.32 C ATOM 498 O SER A 31 -6.166 2.847 -8.102 1.00 25.42 O ATOM 499 CB SER A 31 -4.384 0.723 -8.434 1.00 41.54 C ATOM 500 OG SER A 31 -3.629 -0.412 -8.814 1.00 44.43 O ATOM 0 H SER A 31 -2.943 2.555 -9.098 1.00 3.14 H new ATOM 0 HA SER A 31 -4.891 1.092 -10.495 1.00 22.11 H new ATOM 0 HB2 SER A 31 -3.828 1.276 -7.677 1.00 41.54 H new ATOM 0 HB3 SER A 31 -5.310 0.387 -7.967 1.00 41.54 H new ATOM 0 HG SER A 31 -2.711 -0.139 -9.023 1.00 44.43 H new ATOM 506 N PRO A 32 -6.888 2.838 -10.235 1.00 64.12 N ATOM 507 CA PRO A 32 -8.164 3.464 -9.893 1.00 45.24 C ATOM 508 C PRO A 32 -8.906 2.573 -8.904 1.00 11.13 C ATOM 509 O PRO A 32 -8.894 1.343 -9.006 1.00 45.43 O ATOM 510 CB PRO A 32 -8.939 3.609 -11.201 1.00 21.11 C ATOM 511 CG PRO A 32 -8.388 2.474 -12.056 1.00 52.15 C ATOM 512 CD PRO A 32 -6.922 2.438 -11.641 1.00 62.12 C ATOM 0 HA PRO A 32 -8.035 4.439 -9.424 1.00 45.24 H new ATOM 0 HB2 PRO A 32 -10.014 3.512 -11.046 1.00 21.11 H new ATOM 0 HB3 PRO A 32 -8.770 4.581 -11.664 1.00 21.11 H new ATOM 0 HG2 PRO A 32 -8.892 1.529 -11.852 1.00 52.15 H new ATOM 0 HG3 PRO A 32 -8.504 2.674 -13.121 1.00 52.15 H new ATOM 0 HD2 PRO A 32 -6.504 1.440 -11.772 1.00 62.12 H new ATOM 0 HD3 PRO A 32 -6.327 3.116 -12.253 1.00 62.12 H new ATOM 520 N ILE A 33 -9.537 3.223 -7.934 1.00 63.33 N ATOM 521 CA ILE A 33 -10.377 2.558 -6.956 1.00 11.53 C ATOM 522 C ILE A 33 -11.709 2.371 -7.676 1.00 62.22 C ATOM 523 O ILE A 33 -12.256 3.357 -8.183 1.00 12.14 O ATOM 524 CB ILE A 33 -10.503 3.426 -5.683 1.00 4.21 C ATOM 525 CG1 ILE A 33 -9.124 3.779 -5.072 1.00 52.00 C ATOM 526 CG2 ILE A 33 -11.335 2.682 -4.628 1.00 61.35 C ATOM 527 CD1 ILE A 33 -9.188 4.987 -4.134 1.00 22.34 C ATOM 0 H ILE A 33 -9.477 4.233 -7.806 1.00 63.33 H new ATOM 0 HA ILE A 33 -9.978 1.604 -6.613 1.00 11.53 H new ATOM 0 HB ILE A 33 -10.991 4.355 -5.976 1.00 4.21 H new ATOM 0 HG12 ILE A 33 -8.742 2.918 -4.524 1.00 52.00 H new ATOM 0 HG13 ILE A 33 -8.417 3.984 -5.875 1.00 52.00 H new ATOM 0 HG21 ILE A 33 -11.421 3.297 -3.732 1.00 61.35 H new ATOM 0 HG22 ILE A 33 -12.329 2.479 -5.026 1.00 61.35 H new ATOM 0 HG23 ILE A 33 -10.846 1.741 -4.376 1.00 61.35 H new ATOM 0 HD11 ILE A 33 -8.195 5.190 -3.734 1.00 22.34 H new ATOM 0 HD12 ILE A 33 -9.542 5.858 -4.686 1.00 22.34 H new ATOM 0 HD13 ILE A 33 -9.873 4.774 -3.313 1.00 22.34 H new ATOM 539 N ALA A 34 -12.222 1.144 -7.748 1.00 53.31 N ATOM 540 CA ALA A 34 -13.454 0.805 -8.451 1.00 30.32 C ATOM 541 C ALA A 34 -14.407 0.133 -7.471 1.00 41.04 C ATOM 542 O ALA A 34 -14.073 -0.937 -6.958 1.00 21.53 O ATOM 543 CB ALA A 34 -13.144 -0.087 -9.656 1.00 72.35 C ATOM 0 H ALA A 34 -11.779 0.338 -7.307 1.00 53.31 H new ATOM 0 HA ALA A 34 -13.934 1.705 -8.836 1.00 30.32 H new ATOM 0 HB1 ALA A 34 -14.071 -0.334 -10.174 1.00 72.35 H new ATOM 0 HB2 ALA A 34 -12.477 0.441 -10.338 1.00 72.35 H new ATOM 0 HB3 ALA A 34 -12.663 -1.004 -9.316 1.00 72.35 H new ATOM 549 N LEU A 35 -15.520 0.799 -7.146 1.00 23.21 N ATOM 550 CA LEU A 35 -16.575 0.288 -6.280 1.00 25.24 C ATOM 551 C LEU A 35 -17.833 0.019 -7.096 1.00 12.12 C ATOM 552 O LEU A 35 -17.960 0.483 -8.232 1.00 64.32 O ATOM 553 CB LEU A 35 -16.919 1.314 -5.191 1.00 1.22 C ATOM 554 CG LEU A 35 -15.819 1.654 -4.172 1.00 33.51 C ATOM 555 CD1 LEU A 35 -14.900 0.477 -3.818 1.00 70.45 C ATOM 556 CD2 LEU A 35 -15.011 2.881 -4.551 1.00 74.13 C ATOM 0 H LEU A 35 -15.713 1.739 -7.492 1.00 23.21 H new ATOM 0 HA LEU A 35 -16.218 -0.634 -5.820 1.00 25.24 H new ATOM 0 HB2 LEU A 35 -17.222 2.239 -5.682 1.00 1.22 H new ATOM 0 HB3 LEU A 35 -17.786 0.946 -4.642 1.00 1.22 H new ATOM 0 HG LEU A 35 -16.373 1.893 -3.264 1.00 33.51 H new ATOM 0 HD11 LEU A 35 -14.153 0.803 -3.094 1.00 70.45 H new ATOM 0 HD12 LEU A 35 -15.493 -0.331 -3.389 1.00 70.45 H new ATOM 0 HD13 LEU A 35 -14.400 0.122 -4.719 1.00 70.45 H new ATOM 0 HD21 LEU A 35 -14.252 3.066 -3.791 1.00 74.13 H new ATOM 0 HD22 LEU A 35 -14.527 2.715 -5.514 1.00 74.13 H new ATOM 0 HD23 LEU A 35 -15.672 3.745 -4.621 1.00 74.13 H new ATOM 568 N LEU A 36 -18.778 -0.702 -6.499 1.00 32.20 N ATOM 569 CA LEU A 36 -20.080 -1.000 -7.079 1.00 45.24 C ATOM 570 C LEU A 36 -21.057 0.053 -6.578 1.00 4.42 C ATOM 571 O LEU A 36 -20.948 0.509 -5.437 1.00 22.20 O ATOM 572 CB LEU A 36 -20.546 -2.400 -6.646 1.00 21.40 C ATOM 573 CG LEU A 36 -19.820 -3.587 -7.307 1.00 63.11 C ATOM 574 CD1 LEU A 36 -19.988 -3.570 -8.825 1.00 50.25 C ATOM 575 CD2 LEU A 36 -18.325 -3.657 -6.984 1.00 3.32 C ATOM 0 H LEU A 36 -18.653 -1.106 -5.571 1.00 32.20 H new ATOM 0 HA LEU A 36 -20.025 -0.985 -8.168 1.00 45.24 H new ATOM 0 HB2 LEU A 36 -20.427 -2.483 -5.566 1.00 21.40 H new ATOM 0 HB3 LEU A 36 -21.612 -2.488 -6.857 1.00 21.40 H new ATOM 0 HG LEU A 36 -20.295 -4.471 -6.882 1.00 63.11 H new ATOM 0 HD11 LEU A 36 -19.463 -4.421 -9.259 1.00 50.25 H new ATOM 0 HD12 LEU A 36 -21.047 -3.631 -9.075 1.00 50.25 H new ATOM 0 HD13 LEU A 36 -19.574 -2.645 -9.227 1.00 50.25 H new ATOM 0 HD21 LEU A 36 -17.884 -4.519 -7.485 1.00 3.32 H new ATOM 0 HD22 LEU A 36 -17.835 -2.747 -7.329 1.00 3.32 H new ATOM 0 HD23 LEU A 36 -18.190 -3.756 -5.907 1.00 3.32 H new ATOM 587 N LYS A 37 -22.011 0.445 -7.423 1.00 34.10 N ATOM 588 CA LYS A 37 -22.934 1.547 -7.163 1.00 12.10 C ATOM 589 C LYS A 37 -24.284 1.007 -6.685 1.00 43.31 C ATOM 590 O LYS A 37 -25.320 1.553 -7.058 1.00 41.35 O ATOM 591 CB LYS A 37 -23.110 2.392 -8.439 1.00 30.20 C ATOM 592 CG LYS A 37 -21.816 2.830 -9.144 1.00 24.30 C ATOM 593 CD LYS A 37 -22.150 3.493 -10.485 1.00 22.53 C ATOM 594 CE LYS A 37 -21.782 4.978 -10.512 1.00 34.25 C ATOM 595 NZ LYS A 37 -22.631 5.713 -11.463 1.00 50.00 N ATOM 0 H LYS A 37 -22.166 -0.005 -8.325 1.00 34.10 H new ATOM 0 HA LYS A 37 -22.521 2.180 -6.377 1.00 12.10 H new ATOM 0 HB2 LYS A 37 -23.711 1.822 -9.148 1.00 30.20 H new ATOM 0 HB3 LYS A 37 -23.680 3.285 -8.183 1.00 30.20 H new ATOM 0 HG2 LYS A 37 -21.265 3.526 -8.512 1.00 24.30 H new ATOM 0 HG3 LYS A 37 -21.170 1.967 -9.306 1.00 24.30 H new ATOM 0 HD2 LYS A 37 -21.619 2.976 -11.284 1.00 22.53 H new ATOM 0 HD3 LYS A 37 -23.216 3.382 -10.686 1.00 22.53 H new ATOM 0 HE2 LYS A 37 -21.895 5.403 -9.514 1.00 34.25 H new ATOM 0 HE3 LYS A 37 -20.734 5.092 -10.790 1.00 34.25 H new ATOM 0 HZ1 LYS A 37 -22.362 6.718 -11.463 1.00 50.00 H new ATOM 0 HZ2 LYS A 37 -22.504 5.320 -12.417 1.00 50.00 H new ATOM 0 HZ3 LYS A 37 -23.628 5.621 -11.181 1.00 50.00 H new ATOM 609 N ASP A 38 -24.294 -0.086 -5.921 1.00 32.33 N ATOM 610 CA ASP A 38 -25.476 -0.777 -5.373 1.00 32.22 C ATOM 611 C ASP A 38 -26.248 -1.607 -6.416 1.00 12.30 C ATOM 612 O ASP A 38 -26.920 -2.587 -6.090 1.00 63.45 O ATOM 613 CB ASP A 38 -26.364 0.233 -4.614 1.00 24.13 C ATOM 614 CG ASP A 38 -27.183 -0.326 -3.449 1.00 41.32 C ATOM 615 OD1 ASP A 38 -26.879 -1.447 -2.979 1.00 1.44 O ATOM 616 OD2 ASP A 38 -28.015 0.447 -2.926 1.00 31.13 O ATOM 0 H ASP A 38 -23.426 -0.546 -5.648 1.00 32.33 H new ATOM 0 HA ASP A 38 -25.125 -1.523 -4.661 1.00 32.22 H new ATOM 0 HB2 ASP A 38 -25.726 1.030 -4.232 1.00 24.13 H new ATOM 0 HB3 ASP A 38 -27.051 0.688 -5.327 1.00 24.13 H new ATOM 621 N ASP A 39 -26.041 -1.316 -7.700 1.00 73.13 N ATOM 622 CA ASP A 39 -26.629 -2.012 -8.856 1.00 32.53 C ATOM 623 C ASP A 39 -25.945 -3.370 -9.123 1.00 14.33 C ATOM 624 O ASP A 39 -26.283 -4.075 -10.073 1.00 45.35 O ATOM 625 CB ASP A 39 -26.567 -1.125 -10.106 1.00 54.31 C ATOM 626 CG ASP A 39 -27.611 -0.008 -10.164 1.00 5.33 C ATOM 627 OD1 ASP A 39 -28.804 -0.269 -9.909 1.00 64.35 O ATOM 628 OD2 ASP A 39 -27.240 1.135 -10.529 1.00 73.11 O ATOM 0 H ASP A 39 -25.428 -0.551 -7.982 1.00 73.13 H new ATOM 0 HA ASP A 39 -27.673 -2.215 -8.617 1.00 32.53 H new ATOM 0 HB2 ASP A 39 -25.575 -0.677 -10.165 1.00 54.31 H new ATOM 0 HB3 ASP A 39 -26.685 -1.757 -10.987 1.00 54.31 H new ATOM 633 N GLY A 40 -24.978 -3.771 -8.294 1.00 5.44 N ATOM 634 CA GLY A 40 -24.430 -5.124 -8.250 1.00 5.03 C ATOM 635 C GLY A 40 -23.193 -5.304 -9.117 1.00 22.10 C ATOM 636 O GLY A 40 -22.153 -5.681 -8.590 1.00 21.50 O ATOM 0 H GLY A 40 -24.544 -3.144 -7.617 1.00 5.44 H new ATOM 0 HA2 GLY A 40 -24.181 -5.374 -7.219 1.00 5.03 H new ATOM 0 HA3 GLY A 40 -25.196 -5.829 -8.573 1.00 5.03 H new ATOM 640 N GLU A 41 -23.267 -5.005 -10.417 1.00 4.32 N ATOM 641 CA GLU A 41 -22.149 -5.029 -11.339 1.00 50.13 C ATOM 642 C GLU A 41 -22.164 -3.758 -12.185 1.00 44.42 C ATOM 643 O GLU A 41 -22.252 -3.763 -13.416 1.00 32.21 O ATOM 644 CB GLU A 41 -22.152 -6.318 -12.141 1.00 11.32 C ATOM 645 CG GLU A 41 -23.449 -6.661 -12.878 1.00 25.30 C ATOM 646 CD GLU A 41 -23.205 -7.579 -14.083 1.00 12.12 C ATOM 647 OE1 GLU A 41 -22.946 -8.788 -13.887 1.00 1.34 O ATOM 648 OE2 GLU A 41 -23.288 -7.116 -15.247 1.00 2.12 O ATOM 0 H GLU A 41 -24.142 -4.731 -10.863 1.00 4.32 H new ATOM 0 HA GLU A 41 -21.202 -5.029 -10.799 1.00 50.13 H new ATOM 0 HB2 GLU A 41 -21.347 -6.266 -12.874 1.00 11.32 H new ATOM 0 HB3 GLU A 41 -21.916 -7.140 -11.466 1.00 11.32 H new ATOM 0 HG2 GLU A 41 -24.140 -7.146 -12.188 1.00 25.30 H new ATOM 0 HG3 GLU A 41 -23.928 -5.741 -13.215 1.00 25.30 H new ATOM 655 N THR A 42 -22.108 -2.643 -11.475 1.00 23.42 N ATOM 656 CA THR A 42 -21.970 -1.306 -12.035 1.00 65.22 C ATOM 657 C THR A 42 -20.491 -0.968 -12.190 1.00 65.32 C ATOM 658 O THR A 42 -19.703 -1.189 -11.264 1.00 54.11 O ATOM 659 CB THR A 42 -22.649 -0.253 -11.138 1.00 62.25 C ATOM 660 OG1 THR A 42 -23.103 -0.793 -9.901 1.00 61.11 O ATOM 661 CG2 THR A 42 -23.818 0.390 -11.889 1.00 52.13 C ATOM 0 H THR A 42 -22.159 -2.643 -10.456 1.00 23.42 H new ATOM 0 HA THR A 42 -22.459 -1.291 -13.009 1.00 65.22 H new ATOM 0 HB THR A 42 -21.897 0.500 -10.899 1.00 62.25 H new ATOM 0 HG1 THR A 42 -23.720 -1.535 -10.074 1.00 61.11 H new ATOM 0 HG21 THR A 42 -24.295 1.134 -11.251 1.00 52.13 H new ATOM 0 HG22 THR A 42 -23.448 0.872 -12.794 1.00 52.13 H new ATOM 0 HG23 THR A 42 -24.544 -0.377 -12.157 1.00 52.13 H new ATOM 669 N GLU A 43 -20.128 -0.376 -13.324 1.00 65.33 N ATOM 670 CA GLU A 43 -18.824 0.234 -13.505 1.00 65.44 C ATOM 671 C GLU A 43 -18.777 1.523 -12.681 1.00 14.54 C ATOM 672 O GLU A 43 -19.680 2.359 -12.773 1.00 23.33 O ATOM 673 CB GLU A 43 -18.551 0.458 -15.007 1.00 41.12 C ATOM 674 CG GLU A 43 -19.273 1.658 -15.640 1.00 42.24 C ATOM 675 CD GLU A 43 -19.143 1.706 -17.162 1.00 61.13 C ATOM 676 OE1 GLU A 43 -19.418 0.701 -17.853 1.00 53.23 O ATOM 677 OE2 GLU A 43 -18.849 2.797 -17.706 1.00 30.40 O ATOM 0 H GLU A 43 -20.734 -0.308 -14.142 1.00 65.33 H new ATOM 0 HA GLU A 43 -18.028 -0.419 -13.147 1.00 65.44 H new ATOM 0 HB2 GLU A 43 -17.478 0.587 -15.148 1.00 41.12 H new ATOM 0 HB3 GLU A 43 -18.838 -0.443 -15.549 1.00 41.12 H new ATOM 0 HG2 GLU A 43 -20.329 1.620 -15.373 1.00 42.24 H new ATOM 0 HG3 GLU A 43 -18.871 2.579 -15.218 1.00 42.24 H new ATOM 684 N GLN A 44 -17.737 1.717 -11.874 1.00 21.21 N ATOM 685 CA GLN A 44 -17.360 3.035 -11.404 1.00 65.43 C ATOM 686 C GLN A 44 -15.852 3.034 -11.175 1.00 23.10 C ATOM 687 O GLN A 44 -15.302 2.031 -10.725 1.00 3.44 O ATOM 688 CB GLN A 44 -18.101 3.359 -10.098 1.00 21.54 C ATOM 689 CG GLN A 44 -18.104 4.870 -9.841 1.00 21.21 C ATOM 690 CD GLN A 44 -18.355 5.240 -8.408 1.00 24.25 C ATOM 691 OE1 GLN A 44 -17.418 4.882 -7.554 1.00 64.40 O flip ATOM 692 NE2 GLN A 44 -19.332 5.899 -8.071 1.00 24.21 N flip ATOM 0 H GLN A 44 -17.138 0.965 -11.532 1.00 21.21 H new ATOM 0 HA GLN A 44 -17.627 3.795 -12.138 1.00 65.43 H new ATOM 0 HB2 GLN A 44 -19.126 2.992 -10.154 1.00 21.54 H new ATOM 0 HB3 GLN A 44 -17.623 2.844 -9.265 1.00 21.54 H new ATOM 0 HG2 GLN A 44 -17.144 5.284 -10.151 1.00 21.21 H new ATOM 0 HG3 GLN A 44 -18.868 5.334 -10.465 1.00 21.21 H new ATOM 0 HE21 GLN A 44 -20.036 6.157 -8.762 1.00 24.21 H new ATOM 0 HE22 GLN A 44 -19.441 6.190 -7.099 1.00 24.21 H new ATOM 701 N THR A 45 -15.198 4.174 -11.378 1.00 61.03 N ATOM 702 CA THR A 45 -13.862 4.456 -10.879 1.00 70.31 C ATOM 703 C THR A 45 -13.860 5.810 -10.174 1.00 51.14 C ATOM 704 O THR A 45 -14.672 6.686 -10.490 1.00 25.12 O ATOM 705 CB THR A 45 -12.822 4.365 -12.007 1.00 23.11 C ATOM 706 OG1 THR A 45 -13.267 4.926 -13.223 1.00 53.41 O ATOM 707 CG2 THR A 45 -12.495 2.903 -12.296 1.00 1.40 C ATOM 0 H THR A 45 -15.597 4.947 -11.910 1.00 61.03 H new ATOM 0 HA THR A 45 -13.575 3.702 -10.146 1.00 70.31 H new ATOM 0 HB THR A 45 -11.955 4.924 -11.654 1.00 23.11 H new ATOM 0 HG1 THR A 45 -12.563 4.840 -13.900 1.00 53.41 H new ATOM 0 HG21 THR A 45 -11.757 2.847 -13.096 1.00 1.40 H new ATOM 0 HG22 THR A 45 -12.092 2.436 -11.397 1.00 1.40 H new ATOM 0 HG23 THR A 45 -13.402 2.381 -12.601 1.00 1.40 H new ATOM 715 N PHE A 46 -12.958 5.968 -9.206 1.00 50.42 N ATOM 716 CA PHE A 46 -12.751 7.166 -8.402 1.00 30.34 C ATOM 717 C PHE A 46 -11.283 7.580 -8.530 1.00 31.41 C ATOM 718 O PHE A 46 -10.420 6.710 -8.738 1.00 5.21 O ATOM 719 CB PHE A 46 -13.100 6.878 -6.926 1.00 3.02 C ATOM 720 CG PHE A 46 -14.439 7.396 -6.423 1.00 41.41 C ATOM 721 CD1 PHE A 46 -15.585 7.425 -7.244 1.00 25.42 C ATOM 722 CD2 PHE A 46 -14.533 7.872 -5.102 1.00 5.43 C ATOM 723 CE1 PHE A 46 -16.797 7.944 -6.759 1.00 54.04 C ATOM 724 CE2 PHE A 46 -15.745 8.393 -4.620 1.00 2.34 C ATOM 725 CZ PHE A 46 -16.877 8.431 -5.447 1.00 33.55 C ATOM 0 H PHE A 46 -12.316 5.218 -8.949 1.00 50.42 H new ATOM 0 HA PHE A 46 -13.396 7.972 -8.752 1.00 30.34 H new ATOM 0 HB2 PHE A 46 -13.075 5.799 -6.776 1.00 3.02 H new ATOM 0 HB3 PHE A 46 -12.315 7.305 -6.302 1.00 3.02 H new ATOM 0 HD1 PHE A 46 -15.531 7.045 -8.254 1.00 25.42 H new ATOM 0 HD2 PHE A 46 -13.669 7.836 -4.455 1.00 5.43 H new ATOM 0 HE1 PHE A 46 -17.668 7.968 -7.397 1.00 54.04 H new ATOM 0 HE2 PHE A 46 -15.805 8.766 -3.608 1.00 2.34 H new ATOM 0 HZ PHE A 46 -17.807 8.834 -5.074 1.00 33.55 H new ATOM 735 N PRO A 47 -10.976 8.878 -8.372 1.00 64.33 N ATOM 736 CA PRO A 47 -9.607 9.355 -8.311 1.00 22.15 C ATOM 737 C PRO A 47 -8.960 8.916 -6.991 1.00 50.52 C ATOM 738 O PRO A 47 -9.635 8.684 -5.982 1.00 45.31 O ATOM 739 CB PRO A 47 -9.701 10.875 -8.466 1.00 3.35 C ATOM 740 CG PRO A 47 -11.072 11.212 -7.882 1.00 72.32 C ATOM 741 CD PRO A 47 -11.913 9.983 -8.221 1.00 12.14 C ATOM 0 HA PRO A 47 -8.970 8.942 -9.094 1.00 22.15 H new ATOM 0 HB2 PRO A 47 -8.900 11.383 -7.928 1.00 3.35 H new ATOM 0 HB3 PRO A 47 -9.625 11.177 -9.511 1.00 3.35 H new ATOM 0 HG2 PRO A 47 -11.020 11.379 -6.806 1.00 72.32 H new ATOM 0 HG3 PRO A 47 -11.486 12.117 -8.326 1.00 72.32 H new ATOM 0 HD2 PRO A 47 -12.635 9.776 -7.431 1.00 12.14 H new ATOM 0 HD3 PRO A 47 -12.480 10.140 -9.138 1.00 12.14 H new ATOM 749 N PHE A 48 -7.639 8.795 -7.019 1.00 72.20 N ATOM 750 CA PHE A 48 -6.773 8.439 -5.907 1.00 65.33 C ATOM 751 C PHE A 48 -5.907 9.650 -5.562 1.00 24.42 C ATOM 752 O PHE A 48 -5.536 10.390 -6.464 1.00 3.15 O ATOM 753 CB PHE A 48 -5.891 7.262 -6.373 1.00 43.51 C ATOM 754 CG PHE A 48 -5.612 7.179 -7.874 1.00 1.42 C ATOM 755 CD1 PHE A 48 -4.943 8.210 -8.556 1.00 51.50 C ATOM 756 CD2 PHE A 48 -6.107 6.094 -8.611 1.00 33.25 C ATOM 757 CE1 PHE A 48 -4.811 8.196 -9.953 1.00 63.12 C ATOM 758 CE2 PHE A 48 -5.914 6.046 -10.008 1.00 42.20 C ATOM 759 CZ PHE A 48 -5.284 7.100 -10.683 1.00 30.02 C ATOM 0 H PHE A 48 -7.111 8.954 -7.877 1.00 72.20 H new ATOM 0 HA PHE A 48 -7.343 8.151 -5.024 1.00 65.33 H new ATOM 0 HB2 PHE A 48 -4.936 7.322 -5.850 1.00 43.51 H new ATOM 0 HB3 PHE A 48 -6.368 6.333 -6.061 1.00 43.51 H new ATOM 0 HD1 PHE A 48 -4.522 9.030 -7.993 1.00 51.50 H new ATOM 0 HD2 PHE A 48 -6.635 5.296 -8.110 1.00 33.25 H new ATOM 0 HE1 PHE A 48 -4.346 9.027 -10.462 1.00 63.12 H new ATOM 0 HE2 PHE A 48 -6.256 5.186 -10.564 1.00 42.20 H new ATOM 0 HZ PHE A 48 -5.165 7.067 -11.756 1.00 30.02 H new ATOM 769 N THR A 49 -5.504 9.822 -4.306 1.00 4.35 N ATOM 770 CA THR A 49 -4.535 10.826 -3.860 1.00 14.14 C ATOM 771 C THR A 49 -3.937 10.367 -2.519 1.00 10.43 C ATOM 772 O THR A 49 -4.328 9.325 -1.984 1.00 13.22 O ATOM 773 CB THR A 49 -5.190 12.228 -3.753 1.00 51.42 C ATOM 774 OG1 THR A 49 -6.549 12.129 -3.372 1.00 10.04 O ATOM 775 CG2 THR A 49 -5.096 13.015 -5.066 1.00 73.04 C ATOM 0 H THR A 49 -5.855 9.246 -3.541 1.00 4.35 H new ATOM 0 HA THR A 49 -3.734 10.918 -4.593 1.00 14.14 H new ATOM 0 HB THR A 49 -4.633 12.766 -2.987 1.00 51.42 H new ATOM 0 HG1 THR A 49 -6.938 13.027 -3.310 1.00 10.04 H new ATOM 0 HG21 THR A 49 -5.568 13.989 -4.941 1.00 73.04 H new ATOM 0 HG22 THR A 49 -4.048 13.151 -5.334 1.00 73.04 H new ATOM 0 HG23 THR A 49 -5.604 12.464 -5.857 1.00 73.04 H new ATOM 783 N ARG A 50 -2.998 11.142 -1.957 1.00 43.21 N ATOM 784 CA ARG A 50 -2.394 10.899 -0.643 1.00 32.15 C ATOM 785 C ARG A 50 -3.442 10.785 0.458 1.00 12.44 C ATOM 786 O ARG A 50 -3.255 10.025 1.402 1.00 11.23 O ATOM 787 CB ARG A 50 -1.408 12.036 -0.345 1.00 32.43 C ATOM 788 CG ARG A 50 -0.640 11.847 0.967 1.00 33.35 C ATOM 789 CD ARG A 50 -1.148 12.757 2.082 1.00 73.34 C ATOM 790 NE ARG A 50 -0.351 12.543 3.290 1.00 5.34 N ATOM 791 CZ ARG A 50 -0.537 13.120 4.477 1.00 43.11 C ATOM 792 NH1 ARG A 50 -1.507 14.001 4.677 1.00 72.33 N ATOM 793 NH2 ARG A 50 0.274 12.804 5.470 1.00 61.10 N ATOM 0 H ARG A 50 -2.630 11.975 -2.417 1.00 43.21 H new ATOM 0 HA ARG A 50 -1.870 9.944 -0.667 1.00 32.15 H new ATOM 0 HB2 ARG A 50 -0.696 12.114 -1.166 1.00 32.43 H new ATOM 0 HB3 ARG A 50 -1.953 12.979 -0.306 1.00 32.43 H new ATOM 0 HG2 ARG A 50 -0.723 10.808 1.285 1.00 33.35 H new ATOM 0 HG3 ARG A 50 0.418 12.045 0.796 1.00 33.35 H new ATOM 0 HD2 ARG A 50 -1.084 13.800 1.772 1.00 73.34 H new ATOM 0 HD3 ARG A 50 -2.198 12.549 2.285 1.00 73.34 H new ATOM 0 HE ARG A 50 0.426 11.886 3.216 1.00 5.34 H new ATOM 0 HH11 ARG A 50 -2.133 14.252 3.912 1.00 72.33 H new ATOM 0 HH12 ARG A 50 -1.627 14.428 5.596 1.00 72.33 H new ATOM 0 HH21 ARG A 50 1.025 12.130 5.320 1.00 61.10 H new ATOM 0 HH22 ARG A 50 0.150 13.234 6.387 1.00 61.10 H new ATOM 807 N GLU A 51 -4.571 11.479 0.319 1.00 41.30 N ATOM 808 CA GLU A 51 -5.694 11.475 1.256 1.00 24.25 C ATOM 809 C GLU A 51 -6.438 10.118 1.318 1.00 74.53 C ATOM 810 O GLU A 51 -7.604 10.050 1.717 1.00 11.43 O ATOM 811 CB GLU A 51 -6.646 12.604 0.821 1.00 24.13 C ATOM 812 CG GLU A 51 -7.489 13.163 1.974 1.00 11.04 C ATOM 813 CD GLU A 51 -6.786 14.346 2.639 1.00 51.21 C ATOM 814 OE1 GLU A 51 -5.596 14.224 3.016 1.00 50.00 O ATOM 815 OE2 GLU A 51 -7.383 15.448 2.697 1.00 61.54 O ATOM 0 H GLU A 51 -4.735 12.086 -0.484 1.00 41.30 H new ATOM 0 HA GLU A 51 -5.316 11.635 2.266 1.00 24.25 H new ATOM 0 HB2 GLU A 51 -6.063 13.413 0.381 1.00 24.13 H new ATOM 0 HB3 GLU A 51 -7.310 12.230 0.042 1.00 24.13 H new ATOM 0 HG2 GLU A 51 -8.463 13.478 1.599 1.00 11.04 H new ATOM 0 HG3 GLU A 51 -7.669 12.380 2.711 1.00 11.04 H new ATOM 822 N LYS A 52 -5.821 9.043 0.823 1.00 64.43 N ATOM 823 CA LYS A 52 -6.353 7.689 0.720 1.00 24.11 C ATOM 824 C LYS A 52 -5.281 6.675 1.135 1.00 65.44 C ATOM 825 O LYS A 52 -5.526 5.473 1.105 1.00 41.12 O ATOM 826 CB LYS A 52 -6.848 7.430 -0.719 1.00 11.41 C ATOM 827 CG LYS A 52 -7.801 8.542 -1.186 1.00 53.43 C ATOM 828 CD LYS A 52 -8.508 8.281 -2.520 1.00 23.44 C ATOM 829 CE LYS A 52 -10.031 8.143 -2.416 1.00 73.30 C ATOM 830 NZ LYS A 52 -10.684 9.386 -1.938 1.00 42.10 N ATOM 0 H LYS A 52 -4.870 9.104 0.459 1.00 64.43 H new ATOM 0 HA LYS A 52 -7.202 7.576 1.395 1.00 24.11 H new ATOM 0 HB2 LYS A 52 -5.995 7.371 -1.395 1.00 11.41 H new ATOM 0 HB3 LYS A 52 -7.358 6.468 -0.764 1.00 11.41 H new ATOM 0 HG2 LYS A 52 -8.558 8.696 -0.417 1.00 53.43 H new ATOM 0 HG3 LYS A 52 -7.236 9.471 -1.268 1.00 53.43 H new ATOM 0 HD2 LYS A 52 -8.276 9.096 -3.205 1.00 23.44 H new ATOM 0 HD3 LYS A 52 -8.102 7.370 -2.959 1.00 23.44 H new ATOM 0 HE2 LYS A 52 -10.436 7.877 -3.392 1.00 73.30 H new ATOM 0 HE3 LYS A 52 -10.273 7.325 -1.737 1.00 73.30 H new ATOM 0 HZ1 LYS A 52 -11.714 9.307 -2.061 1.00 42.10 H new ATOM 0 HZ2 LYS A 52 -10.466 9.528 -0.931 1.00 42.10 H new ATOM 0 HZ3 LYS A 52 -10.331 10.196 -2.486 1.00 42.10 H new ATOM 844 N TRP A 53 -4.068 7.127 1.474 1.00 73.10 N ATOM 845 CA TRP A 53 -2.996 6.236 1.904 1.00 33.35 C ATOM 846 C TRP A 53 -3.362 5.623 3.257 1.00 53.00 C ATOM 847 O TRP A 53 -4.071 6.271 4.023 1.00 30.21 O ATOM 848 CB TRP A 53 -1.670 7.004 1.999 1.00 4.04 C ATOM 849 CG TRP A 53 -0.476 6.136 2.268 1.00 14.23 C ATOM 850 CD1 TRP A 53 0.088 5.923 3.480 1.00 51.21 C ATOM 851 CD2 TRP A 53 0.248 5.276 1.336 1.00 25.52 C ATOM 852 NE1 TRP A 53 1.081 4.970 3.363 1.00 53.22 N ATOM 853 CE2 TRP A 53 1.195 4.508 2.075 1.00 52.43 C ATOM 854 CE3 TRP A 53 0.201 5.054 -0.057 1.00 62.20 C ATOM 855 CZ2 TRP A 53 2.010 3.535 1.481 1.00 42.23 C ATOM 856 CZ3 TRP A 53 1.051 4.115 -0.674 1.00 64.41 C ATOM 857 CH2 TRP A 53 1.935 3.335 0.094 1.00 31.23 C ATOM 0 H TRP A 53 -3.808 8.113 1.457 1.00 73.10 H new ATOM 0 HA TRP A 53 -2.872 5.438 1.172 1.00 33.35 H new ATOM 0 HB2 TRP A 53 -1.509 7.546 1.067 1.00 4.04 H new ATOM 0 HB3 TRP A 53 -1.750 7.749 2.791 1.00 4.04 H new ATOM 0 HD1 TRP A 53 -0.194 6.421 4.396 1.00 51.21 H new ATOM 0 HE1 TRP A 53 1.659 4.648 4.139 1.00 53.22 H new ATOM 0 HE3 TRP A 53 -0.499 5.614 -0.660 1.00 62.20 H new ATOM 0 HZ2 TRP A 53 2.687 2.947 2.083 1.00 42.23 H new ATOM 0 HZ3 TRP A 53 1.024 3.993 -1.747 1.00 64.41 H new ATOM 0 HH2 TRP A 53 2.552 2.587 -0.381 1.00 31.23 H new ATOM 868 N ALA A 54 -2.828 4.444 3.572 1.00 45.34 N ATOM 869 CA ALA A 54 -2.831 3.818 4.889 1.00 10.43 C ATOM 870 C ALA A 54 -1.380 3.494 5.247 1.00 63.52 C ATOM 871 O ALA A 54 -0.696 2.871 4.427 1.00 50.40 O ATOM 872 CB ALA A 54 -3.684 2.548 4.864 1.00 62.55 C ATOM 0 H ALA A 54 -2.356 3.869 2.874 1.00 45.34 H new ATOM 0 HA ALA A 54 -3.260 4.486 5.636 1.00 10.43 H new ATOM 0 HB1 ALA A 54 -3.680 2.088 5.852 1.00 62.55 H new ATOM 0 HB2 ALA A 54 -4.707 2.802 4.586 1.00 62.55 H new ATOM 0 HB3 ALA A 54 -3.273 1.848 4.136 1.00 62.55 H new ATOM 878 N LEU A 55 -0.900 3.958 6.407 1.00 2.22 N ATOM 879 CA LEU A 55 0.479 3.741 6.858 1.00 14.35 C ATOM 880 C LEU A 55 0.727 2.254 7.151 1.00 64.51 C ATOM 881 O LEU A 55 -0.224 1.498 7.329 1.00 65.34 O ATOM 882 CB LEU A 55 0.821 4.643 8.065 1.00 74.54 C ATOM 883 CG LEU A 55 0.954 6.142 7.706 1.00 62.42 C ATOM 884 CD1 LEU A 55 1.097 7.030 8.941 1.00 30.45 C ATOM 885 CD2 LEU A 55 2.160 6.416 6.791 1.00 54.11 C ATOM 0 H LEU A 55 -1.463 4.499 7.064 1.00 2.22 H new ATOM 0 HA LEU A 55 1.155 4.028 6.052 1.00 14.35 H new ATOM 0 HB2 LEU A 55 0.047 4.528 8.824 1.00 74.54 H new ATOM 0 HB3 LEU A 55 1.756 4.301 8.509 1.00 74.54 H new ATOM 0 HG LEU A 55 0.028 6.387 7.185 1.00 62.42 H new ATOM 0 HD11 LEU A 55 1.187 8.071 8.632 1.00 30.45 H new ATOM 0 HD12 LEU A 55 0.219 6.914 9.576 1.00 30.45 H new ATOM 0 HD13 LEU A 55 1.988 6.739 9.497 1.00 30.45 H new ATOM 0 HD21 LEU A 55 2.212 7.481 6.567 1.00 54.11 H new ATOM 0 HD22 LEU A 55 3.076 6.106 7.294 1.00 54.11 H new ATOM 0 HD23 LEU A 55 2.048 5.855 5.863 1.00 54.11 H new ATOM 897 N LEU A 56 1.999 1.827 7.133 1.00 21.31 N ATOM 898 CA LEU A 56 2.381 0.411 7.033 1.00 31.51 C ATOM 899 C LEU A 56 3.593 0.091 7.929 1.00 53.35 C ATOM 900 O LEU A 56 4.563 0.862 7.924 1.00 30.42 O ATOM 901 CB LEU A 56 2.754 0.082 5.574 1.00 64.53 C ATOM 902 CG LEU A 56 1.769 0.468 4.449 1.00 23.53 C ATOM 903 CD1 LEU A 56 2.446 0.239 3.089 1.00 13.31 C ATOM 904 CD2 LEU A 56 0.454 -0.319 4.475 1.00 3.31 C ATOM 0 H LEU A 56 2.797 2.460 7.188 1.00 21.31 H new ATOM 0 HA LEU A 56 1.532 -0.188 7.361 1.00 31.51 H new ATOM 0 HB2 LEU A 56 3.706 0.567 5.360 1.00 64.53 H new ATOM 0 HB3 LEU A 56 2.922 -0.993 5.511 1.00 64.53 H new ATOM 0 HG LEU A 56 1.516 1.516 4.610 1.00 23.53 H new ATOM 0 HD11 LEU A 56 1.757 0.509 2.289 1.00 13.31 H new ATOM 0 HD12 LEU A 56 3.342 0.856 3.020 1.00 13.31 H new ATOM 0 HD13 LEU A 56 2.721 -0.811 2.992 1.00 13.31 H new ATOM 0 HD21 LEU A 56 -0.183 0.010 3.654 1.00 3.31 H new ATOM 0 HD22 LEU A 56 0.665 -1.383 4.367 1.00 3.31 H new ATOM 0 HD23 LEU A 56 -0.056 -0.144 5.422 1.00 3.31 H new ATOM 916 N ASP A 57 3.557 -1.049 8.635 1.00 4.01 N ATOM 917 CA ASP A 57 4.550 -1.502 9.626 1.00 74.22 C ATOM 918 C ASP A 57 5.760 -2.199 8.995 1.00 64.41 C ATOM 919 O ASP A 57 5.736 -2.640 7.841 1.00 21.53 O ATOM 920 CB ASP A 57 3.967 -2.579 10.564 1.00 1.01 C ATOM 921 CG ASP A 57 2.779 -2.208 11.436 1.00 30.12 C ATOM 922 OD1 ASP A 57 2.698 -1.060 11.924 1.00 45.41 O ATOM 923 OD2 ASP A 57 2.031 -3.151 11.778 1.00 44.12 O ATOM 0 H ASP A 57 2.794 -1.717 8.525 1.00 4.01 H new ATOM 0 HA ASP A 57 4.834 -0.585 10.142 1.00 74.22 H new ATOM 0 HB2 ASP A 57 3.676 -3.432 9.951 1.00 1.01 H new ATOM 0 HB3 ASP A 57 4.769 -2.917 11.221 1.00 1.01 H new ATOM 928 N GLU A 58 6.778 -2.462 9.822 1.00 72.44 N ATOM 929 CA GLU A 58 7.912 -3.338 9.537 1.00 54.23 C ATOM 930 C GLU A 58 7.455 -4.717 9.056 1.00 63.25 C ATOM 931 O GLU A 58 8.040 -5.289 8.136 1.00 3.03 O ATOM 932 CB GLU A 58 8.834 -3.460 10.757 1.00 45.43 C ATOM 933 CG GLU A 58 8.174 -4.169 11.936 1.00 65.23 C ATOM 934 CD GLU A 58 8.869 -3.921 13.273 1.00 43.42 C ATOM 935 OE1 GLU A 58 9.831 -4.659 13.595 1.00 53.23 O ATOM 936 OE2 GLU A 58 8.460 -2.998 14.015 1.00 23.10 O ATOM 0 H GLU A 58 6.833 -2.048 10.753 1.00 72.44 H new ATOM 0 HA GLU A 58 8.480 -2.881 8.727 1.00 54.23 H new ATOM 0 HB2 GLU A 58 9.735 -4.003 10.472 1.00 45.43 H new ATOM 0 HB3 GLU A 58 9.148 -2.464 11.069 1.00 45.43 H new ATOM 0 HG2 GLU A 58 7.137 -3.842 12.010 1.00 65.23 H new ATOM 0 HG3 GLU A 58 8.157 -5.241 11.740 1.00 65.23 H new ATOM 943 N GLU A 59 6.415 -5.257 9.686 1.00 70.13 N ATOM 944 CA GLU A 59 5.859 -6.569 9.381 1.00 11.03 C ATOM 945 C GLU A 59 4.756 -6.494 8.327 1.00 23.23 C ATOM 946 O GLU A 59 4.235 -7.541 7.935 1.00 22.23 O ATOM 947 CB GLU A 59 5.314 -7.239 10.646 1.00 72.55 C ATOM 948 CG GLU A 59 6.356 -7.356 11.762 1.00 73.43 C ATOM 949 CD GLU A 59 6.016 -8.503 12.702 1.00 14.44 C ATOM 950 OE1 GLU A 59 4.980 -8.434 13.399 1.00 3.40 O ATOM 951 OE2 GLU A 59 6.773 -9.500 12.695 1.00 2.33 O ATOM 0 H GLU A 59 5.924 -4.780 10.442 1.00 70.13 H new ATOM 0 HA GLU A 59 6.675 -7.169 8.977 1.00 11.03 H new ATOM 0 HB2 GLU A 59 4.461 -6.669 11.013 1.00 72.55 H new ATOM 0 HB3 GLU A 59 4.948 -8.234 10.394 1.00 72.55 H new ATOM 0 HG2 GLU A 59 7.343 -7.516 11.328 1.00 73.43 H new ATOM 0 HG3 GLU A 59 6.401 -6.422 12.322 1.00 73.43 H new ATOM 958 N THR A 60 4.400 -5.291 7.871 1.00 71.22 N ATOM 959 CA THR A 60 3.579 -5.090 6.690 1.00 62.34 C ATOM 960 C THR A 60 4.452 -5.087 5.429 1.00 25.43 C ATOM 961 O THR A 60 4.012 -5.553 4.378 1.00 64.13 O ATOM 962 CB THR A 60 2.812 -3.773 6.815 1.00 73.12 C ATOM 963 OG1 THR A 60 2.089 -3.676 8.026 1.00 3.21 O ATOM 964 CG2 THR A 60 1.841 -3.635 5.652 1.00 52.24 C ATOM 0 H THR A 60 4.681 -4.421 8.323 1.00 71.22 H new ATOM 0 HA THR A 60 2.864 -5.909 6.608 1.00 62.34 H new ATOM 0 HB THR A 60 3.551 -2.972 6.803 1.00 73.12 H new ATOM 0 HG1 THR A 60 1.386 -3.000 7.934 1.00 3.21 H new ATOM 0 HG21 THR A 60 1.295 -2.696 5.743 1.00 52.24 H new ATOM 0 HG22 THR A 60 2.394 -3.644 4.713 1.00 52.24 H new ATOM 0 HG23 THR A 60 1.136 -4.467 5.666 1.00 52.24 H new ATOM 972 N LEU A 61 5.699 -4.615 5.513 1.00 34.34 N ATOM 973 CA LEU A 61 6.666 -4.697 4.425 1.00 11.41 C ATOM 974 C LEU A 61 7.758 -5.699 4.807 1.00 43.52 C ATOM 975 O LEU A 61 8.905 -5.308 5.059 1.00 21.13 O ATOM 976 CB LEU A 61 7.259 -3.333 4.032 1.00 22.34 C ATOM 977 CG LEU A 61 6.360 -2.235 3.444 1.00 61.03 C ATOM 978 CD1 LEU A 61 5.589 -2.636 2.186 1.00 10.30 C ATOM 979 CD2 LEU A 61 5.366 -1.668 4.445 1.00 5.40 C ATOM 0 H LEU A 61 6.065 -4.161 6.350 1.00 34.34 H new ATOM 0 HA LEU A 61 6.142 -5.044 3.534 1.00 11.41 H new ATOM 0 HB2 LEU A 61 7.733 -2.919 4.922 1.00 22.34 H new ATOM 0 HB3 LEU A 61 8.051 -3.523 3.308 1.00 22.34 H new ATOM 0 HG LEU A 61 7.085 -1.470 3.167 1.00 61.03 H new ATOM 0 HD11 LEU A 61 4.984 -1.795 1.847 1.00 10.30 H new ATOM 0 HD12 LEU A 61 6.292 -2.916 1.402 1.00 10.30 H new ATOM 0 HD13 LEU A 61 4.940 -3.483 2.411 1.00 10.30 H new ATOM 0 HD21 LEU A 61 4.764 -0.898 3.963 1.00 5.40 H new ATOM 0 HD22 LEU A 61 4.716 -2.466 4.804 1.00 5.40 H new ATOM 0 HD23 LEU A 61 5.905 -1.233 5.287 1.00 5.40 H new ATOM 991 N LYS A 62 7.411 -6.986 4.824 1.00 70.51 N ATOM 992 CA LYS A 62 8.324 -8.106 5.053 1.00 32.24 C ATOM 993 C LYS A 62 8.459 -8.943 3.777 1.00 34.04 C ATOM 994 O LYS A 62 7.683 -8.787 2.843 1.00 50.33 O ATOM 995 CB LYS A 62 7.801 -8.958 6.226 1.00 74.55 C ATOM 996 CG LYS A 62 8.727 -8.932 7.445 1.00 72.35 C ATOM 997 CD LYS A 62 8.146 -9.795 8.571 1.00 64.12 C ATOM 998 CE LYS A 62 9.066 -9.760 9.793 1.00 21.11 C ATOM 999 NZ LYS A 62 8.529 -10.569 10.906 1.00 10.12 N ATOM 0 H LYS A 62 6.449 -7.289 4.673 1.00 70.51 H new ATOM 0 HA LYS A 62 9.314 -7.729 5.311 1.00 32.24 H new ATOM 0 HB2 LYS A 62 6.815 -8.597 6.518 1.00 74.55 H new ATOM 0 HB3 LYS A 62 7.678 -9.988 5.893 1.00 74.55 H new ATOM 0 HG2 LYS A 62 9.715 -9.300 7.168 1.00 72.35 H new ATOM 0 HG3 LYS A 62 8.854 -7.907 7.792 1.00 72.35 H new ATOM 0 HD2 LYS A 62 7.155 -9.432 8.843 1.00 64.12 H new ATOM 0 HD3 LYS A 62 8.026 -10.822 8.227 1.00 64.12 H new ATOM 0 HE2 LYS A 62 10.053 -10.132 9.516 1.00 21.11 H new ATOM 0 HE3 LYS A 62 9.195 -8.729 10.122 1.00 21.11 H new ATOM 0 HZ1 LYS A 62 9.290 -10.775 11.584 1.00 10.12 H new ATOM 0 HZ2 LYS A 62 7.772 -10.041 11.385 1.00 10.12 H new ATOM 0 HZ3 LYS A 62 8.147 -11.462 10.533 1.00 10.12 H new ATOM 1013 N GLU A 63 9.425 -9.851 3.745 1.00 63.15 N ATOM 1014 CA GLU A 63 9.588 -10.854 2.703 1.00 5.30 C ATOM 1015 C GLU A 63 9.546 -12.223 3.372 1.00 31.23 C ATOM 1016 O GLU A 63 10.515 -12.640 4.012 1.00 42.52 O ATOM 1017 CB GLU A 63 10.902 -10.657 1.933 1.00 70.21 C ATOM 1018 CG GLU A 63 11.055 -9.265 1.314 1.00 11.21 C ATOM 1019 CD GLU A 63 12.473 -8.974 0.787 1.00 23.02 C ATOM 1020 OE1 GLU A 63 13.370 -9.853 0.791 1.00 3.22 O ATOM 1021 OE2 GLU A 63 12.752 -7.820 0.393 1.00 45.35 O ATOM 0 H GLU A 63 10.141 -9.911 4.469 1.00 63.15 H new ATOM 0 HA GLU A 63 8.786 -10.764 1.971 1.00 5.30 H new ATOM 0 HB2 GLU A 63 11.738 -10.838 2.608 1.00 70.21 H new ATOM 0 HB3 GLU A 63 10.964 -11.405 1.142 1.00 70.21 H new ATOM 0 HG2 GLU A 63 10.344 -9.161 0.494 1.00 11.21 H new ATOM 0 HG3 GLU A 63 10.793 -8.515 2.060 1.00 11.21 H new ATOM 1028 N GLY A 64 8.416 -12.912 3.262 1.00 31.11 N ATOM 1029 CA GLY A 64 8.286 -14.289 3.691 1.00 65.42 C ATOM 1030 C GLY A 64 6.846 -14.782 3.658 1.00 12.24 C ATOM 1031 O GLY A 64 5.912 -14.025 3.379 1.00 10.22 O ATOM 0 H GLY A 64 7.560 -12.522 2.868 1.00 31.11 H new ATOM 0 HA2 GLY A 64 8.898 -14.924 3.050 1.00 65.42 H new ATOM 0 HA3 GLY A 64 8.676 -14.388 4.704 1.00 65.42 H new ATOM 1035 N ARG A 65 6.651 -16.063 3.983 1.00 74.35 N ATOM 1036 CA ARG A 65 5.315 -16.577 4.287 1.00 43.11 C ATOM 1037 C ARG A 65 5.086 -16.534 5.793 1.00 65.51 C ATOM 1038 O ARG A 65 6.040 -16.600 6.578 1.00 70.44 O ATOM 1039 CB ARG A 65 5.076 -17.977 3.690 1.00 11.23 C ATOM 1040 CG ARG A 65 5.836 -19.105 4.403 1.00 64.23 C ATOM 1041 CD ARG A 65 5.302 -20.486 4.012 1.00 62.44 C ATOM 1042 NE ARG A 65 5.763 -21.473 5.003 1.00 43.24 N ATOM 1043 CZ ARG A 65 5.952 -22.783 4.833 1.00 42.13 C ATOM 1044 NH1 ARG A 65 5.594 -23.418 3.726 1.00 31.51 N ATOM 1045 NH2 ARG A 65 6.526 -23.487 5.796 1.00 44.12 N ATOM 0 H ARG A 65 7.396 -16.758 4.042 1.00 74.35 H new ATOM 0 HA ARG A 65 4.576 -15.933 3.809 1.00 43.11 H new ATOM 0 HB2 ARG A 65 4.009 -18.196 3.723 1.00 11.23 H new ATOM 0 HB3 ARG A 65 5.367 -17.966 2.640 1.00 11.23 H new ATOM 0 HG2 ARG A 65 6.896 -19.042 4.156 1.00 64.23 H new ATOM 0 HG3 ARG A 65 5.752 -18.975 5.482 1.00 64.23 H new ATOM 0 HD2 ARG A 65 4.213 -20.472 3.972 1.00 62.44 H new ATOM 0 HD3 ARG A 65 5.654 -20.758 3.017 1.00 62.44 H new ATOM 0 HE ARG A 65 5.963 -21.110 5.935 1.00 43.24 H new ATOM 0 HH11 ARG A 65 5.155 -22.904 2.962 1.00 31.51 H new ATOM 0 HH12 ARG A 65 5.757 -24.421 3.638 1.00 31.51 H new ATOM 0 HH21 ARG A 65 6.819 -23.028 6.658 1.00 44.12 H new ATOM 0 HH22 ARG A 65 6.675 -24.489 5.676 1.00 44.12 H new ATOM 1059 N THR A 66 3.824 -16.552 6.187 1.00 63.22 N ATOM 1060 CA THR A 66 3.356 -16.663 7.555 1.00 70.44 C ATOM 1061 C THR A 66 2.183 -17.664 7.533 1.00 53.11 C ATOM 1062 O THR A 66 1.864 -18.264 6.501 1.00 41.11 O ATOM 1063 CB THR A 66 3.045 -15.239 8.076 1.00 34.12 C ATOM 1064 OG1 THR A 66 4.144 -14.377 7.816 1.00 32.32 O ATOM 1065 CG2 THR A 66 2.802 -15.159 9.586 1.00 30.24 C ATOM 0 H THR A 66 3.055 -16.486 5.520 1.00 63.22 H new ATOM 0 HA THR A 66 4.084 -17.059 8.263 1.00 70.44 H new ATOM 0 HB THR A 66 2.133 -14.947 7.555 1.00 34.12 H new ATOM 0 HG1 THR A 66 3.940 -13.477 8.147 1.00 32.32 H new ATOM 0 HG21 THR A 66 2.591 -14.127 9.866 1.00 30.24 H new ATOM 0 HG22 THR A 66 1.952 -15.788 9.852 1.00 30.24 H new ATOM 0 HG23 THR A 66 3.689 -15.505 10.116 1.00 30.24 H new ATOM 1146 N THR A 73 -2.608 -19.431 5.054 1.00 5.03 N ATOM 1147 CA THR A 73 -1.208 -19.134 4.798 1.00 30.24 C ATOM 1148 C THR A 73 -1.137 -17.725 4.208 1.00 61.13 C ATOM 1149 O THR A 73 -1.368 -17.530 3.013 1.00 74.42 O ATOM 1150 CB THR A 73 -0.622 -20.209 3.874 1.00 73.54 C ATOM 1151 OG1 THR A 73 -0.789 -21.486 4.468 1.00 34.33 O ATOM 1152 CG2 THR A 73 0.879 -20.026 3.635 1.00 31.53 C ATOM 0 HA THR A 73 -0.609 -19.152 5.708 1.00 30.24 H new ATOM 0 HB THR A 73 -1.150 -20.121 2.924 1.00 73.54 H new ATOM 0 HG1 THR A 73 -1.629 -21.505 4.972 1.00 34.33 H new ATOM 0 HG21 THR A 73 1.241 -20.814 2.975 1.00 31.53 H new ATOM 0 HG22 THR A 73 1.058 -19.055 3.174 1.00 31.53 H new ATOM 0 HG23 THR A 73 1.408 -20.079 4.587 1.00 31.53 H new ATOM 1160 N TYR A 74 -0.865 -16.729 5.052 1.00 71.21 N ATOM 1161 CA TYR A 74 -0.568 -15.383 4.586 1.00 43.23 C ATOM 1162 C TYR A 74 0.809 -15.405 3.926 1.00 30.44 C ATOM 1163 O TYR A 74 1.712 -16.093 4.410 1.00 32.12 O ATOM 1164 CB TYR A 74 -0.554 -14.419 5.778 1.00 45.15 C ATOM 1165 CG TYR A 74 -0.561 -12.929 5.474 1.00 51.23 C ATOM 1166 CD1 TYR A 74 -1.232 -12.399 4.352 1.00 31.43 C ATOM 1167 CD2 TYR A 74 0.077 -12.055 6.373 1.00 13.31 C ATOM 1168 CE1 TYR A 74 -1.257 -11.013 4.118 1.00 5.20 C ATOM 1169 CE2 TYR A 74 0.042 -10.667 6.165 1.00 11.11 C ATOM 1170 CZ TYR A 74 -0.623 -10.137 5.035 1.00 72.55 C ATOM 1171 OH TYR A 74 -0.661 -8.783 4.862 1.00 24.30 O ATOM 0 H TYR A 74 -0.845 -16.835 6.066 1.00 71.21 H new ATOM 0 HA TYR A 74 -1.324 -15.051 3.874 1.00 43.23 H new ATOM 0 HB2 TYR A 74 -1.422 -14.640 6.400 1.00 45.15 H new ATOM 0 HB3 TYR A 74 0.331 -14.636 6.376 1.00 45.15 H new ATOM 0 HD1 TYR A 74 -1.732 -13.066 3.665 1.00 31.43 H new ATOM 0 HD2 TYR A 74 0.598 -12.455 7.230 1.00 13.31 H new ATOM 0 HE1 TYR A 74 -1.756 -10.618 3.245 1.00 5.20 H new ATOM 0 HE2 TYR A 74 0.523 -10.004 6.868 1.00 11.11 H new ATOM 0 HH TYR A 74 -0.173 -8.346 5.591 1.00 24.30 H new ATOM 1181 N ILE A 75 1.001 -14.665 2.843 1.00 31.12 N ATOM 1182 CA ILE A 75 2.268 -14.535 2.146 1.00 33.32 C ATOM 1183 C ILE A 75 2.445 -13.042 1.867 1.00 11.12 C ATOM 1184 O ILE A 75 1.478 -12.360 1.520 1.00 42.05 O ATOM 1185 CB ILE A 75 2.242 -15.416 0.874 1.00 2.42 C ATOM 1186 CG1 ILE A 75 2.040 -16.914 1.217 1.00 45.12 C ATOM 1187 CG2 ILE A 75 3.546 -15.245 0.078 1.00 34.43 C ATOM 1188 CD1 ILE A 75 1.735 -17.806 0.008 1.00 14.42 C ATOM 0 H ILE A 75 0.253 -14.121 2.413 1.00 31.12 H new ATOM 0 HA ILE A 75 3.122 -14.886 2.725 1.00 33.32 H new ATOM 0 HB ILE A 75 1.397 -15.087 0.269 1.00 2.42 H new ATOM 0 HG12 ILE A 75 2.939 -17.286 1.710 1.00 45.12 H new ATOM 0 HG13 ILE A 75 1.224 -17.003 1.934 1.00 45.12 H new ATOM 0 HG21 ILE A 75 3.513 -15.871 -0.814 1.00 34.43 H new ATOM 0 HG22 ILE A 75 3.659 -14.201 -0.215 1.00 34.43 H new ATOM 0 HG23 ILE A 75 4.392 -15.541 0.698 1.00 34.43 H new ATOM 0 HD11 ILE A 75 1.608 -18.837 0.339 1.00 14.42 H new ATOM 0 HD12 ILE A 75 0.819 -17.465 -0.474 1.00 14.42 H new ATOM 0 HD13 ILE A 75 2.560 -17.752 -0.702 1.00 14.42 H new ATOM 1200 N SER A 76 3.670 -12.541 2.027 1.00 62.02 N ATOM 1201 CA SER A 76 4.021 -11.151 1.798 1.00 25.04 C ATOM 1202 C SER A 76 5.449 -11.102 1.265 1.00 22.14 C ATOM 1203 O SER A 76 6.386 -11.470 1.971 1.00 34.22 O ATOM 1204 CB SER A 76 3.940 -10.368 3.109 1.00 54.01 C ATOM 1205 OG SER A 76 2.668 -10.450 3.734 1.00 72.15 O ATOM 0 H SER A 76 4.461 -13.110 2.327 1.00 62.02 H new ATOM 0 HA SER A 76 3.330 -10.706 1.082 1.00 25.04 H new ATOM 0 HB2 SER A 76 4.699 -10.743 3.795 1.00 54.01 H new ATOM 0 HB3 SER A 76 4.175 -9.322 2.914 1.00 54.01 H new ATOM 0 HG SER A 76 2.678 -9.932 4.566 1.00 72.15 H new ATOM 1211 N HIS A 77 5.645 -10.698 0.015 1.00 30.40 N ATOM 1212 CA HIS A 77 6.966 -10.553 -0.584 1.00 73.11 C ATOM 1213 C HIS A 77 6.936 -9.499 -1.689 1.00 33.44 C ATOM 1214 O HIS A 77 5.876 -8.969 -2.038 1.00 50.43 O ATOM 1215 CB HIS A 77 7.444 -11.929 -1.081 1.00 23.32 C ATOM 1216 CG HIS A 77 6.433 -12.791 -1.811 1.00 45.25 C ATOM 1217 ND1 HIS A 77 5.385 -12.397 -2.613 1.00 62.05 N flip ATOM 1218 CD2 HIS A 77 6.400 -14.167 -1.733 1.00 1.34 C flip ATOM 1219 CE1 HIS A 77 4.743 -13.555 -3.059 1.00 10.44 C flip ATOM 1220 NE2 HIS A 77 5.367 -14.593 -2.473 1.00 31.01 N flip ATOM 0 H HIS A 77 4.882 -10.459 -0.618 1.00 30.40 H new ATOM 0 HA HIS A 77 7.683 -10.199 0.157 1.00 73.11 H new ATOM 0 HB2 HIS A 77 8.295 -11.772 -1.744 1.00 23.32 H new ATOM 0 HB3 HIS A 77 7.809 -12.491 -0.221 1.00 23.32 H new ATOM 0 HD2 HIS A 77 7.084 -14.790 -1.176 1.00 1.34 H new ATOM 0 HE1 HIS A 77 3.908 -13.607 -3.742 1.00 10.44 H new ATOM 0 HE2 HIS A 77 5.092 -15.570 -2.578 1.00 31.01 H new ATOM 1228 N PHE A 78 8.106 -9.172 -2.242 1.00 74.43 N ATOM 1229 CA PHE A 78 8.184 -8.574 -3.562 1.00 22.40 C ATOM 1230 C PHE A 78 8.133 -9.715 -4.579 1.00 63.44 C ATOM 1231 O PHE A 78 8.437 -10.868 -4.241 1.00 34.13 O ATOM 1232 CB PHE A 78 9.465 -7.739 -3.679 1.00 33.01 C ATOM 1233 CG PHE A 78 10.744 -8.537 -3.811 1.00 13.20 C ATOM 1234 CD1 PHE A 78 11.310 -9.199 -2.705 1.00 53.22 C ATOM 1235 CD2 PHE A 78 11.371 -8.606 -5.065 1.00 11.32 C ATOM 1236 CE1 PHE A 78 12.500 -9.931 -2.860 1.00 52.43 C ATOM 1237 CE2 PHE A 78 12.559 -9.335 -5.223 1.00 21.30 C ATOM 1238 CZ PHE A 78 13.123 -10.000 -4.120 1.00 62.31 C ATOM 0 H PHE A 78 9.009 -9.314 -1.790 1.00 74.43 H new ATOM 0 HA PHE A 78 7.354 -7.893 -3.749 1.00 22.40 H new ATOM 0 HB2 PHE A 78 9.374 -7.083 -4.544 1.00 33.01 H new ATOM 0 HB3 PHE A 78 9.544 -7.099 -2.800 1.00 33.01 H new ATOM 0 HD1 PHE A 78 10.831 -9.145 -1.739 1.00 53.22 H new ATOM 0 HD2 PHE A 78 10.937 -8.096 -5.912 1.00 11.32 H new ATOM 0 HE1 PHE A 78 12.936 -10.440 -2.013 1.00 52.43 H new ATOM 0 HE2 PHE A 78 13.039 -9.385 -6.189 1.00 21.30 H new ATOM 0 HZ PHE A 78 14.036 -10.565 -4.240 1.00 62.31 H new ATOM 1248 N THR A 79 7.768 -9.409 -5.816 1.00 14.34 N ATOM 1249 CA THR A 79 7.445 -10.402 -6.836 1.00 23.11 C ATOM 1250 C THR A 79 8.240 -10.169 -8.123 1.00 4.32 C ATOM 1251 O THR A 79 8.056 -10.896 -9.100 1.00 50.23 O ATOM 1252 CB THR A 79 5.913 -10.401 -7.031 1.00 1.32 C ATOM 1253 OG1 THR A 79 5.416 -9.077 -6.984 1.00 14.42 O ATOM 1254 CG2 THR A 79 5.270 -11.191 -5.885 1.00 12.50 C ATOM 0 H THR A 79 7.686 -8.448 -6.147 1.00 14.34 H new ATOM 0 HA THR A 79 7.746 -11.399 -6.515 1.00 23.11 H new ATOM 0 HB THR A 79 5.677 -10.848 -7.997 1.00 1.32 H new ATOM 0 HG1 THR A 79 4.446 -9.087 -7.120 1.00 14.42 H new ATOM 0 HG21 THR A 79 4.187 -11.198 -6.011 1.00 12.50 H new ATOM 0 HG22 THR A 79 5.643 -12.215 -5.895 1.00 12.50 H new ATOM 0 HG23 THR A 79 5.522 -10.722 -4.934 1.00 12.50 H new ATOM 1262 N VAL A 80 9.142 -9.178 -8.130 1.00 53.22 N ATOM 1263 CA VAL A 80 9.773 -8.662 -9.349 1.00 31.23 C ATOM 1264 C VAL A 80 11.226 -8.301 -9.053 1.00 71.14 C ATOM 1265 O VAL A 80 11.487 -7.545 -8.121 1.00 32.12 O ATOM 1266 CB VAL A 80 8.973 -7.446 -9.873 1.00 13.22 C ATOM 1267 CG1 VAL A 80 9.638 -6.821 -11.108 1.00 13.41 C ATOM 1268 CG2 VAL A 80 7.534 -7.848 -10.233 1.00 72.24 C ATOM 0 H VAL A 80 9.456 -8.709 -7.281 1.00 53.22 H new ATOM 0 HA VAL A 80 9.768 -9.424 -10.129 1.00 31.23 H new ATOM 0 HB VAL A 80 8.957 -6.710 -9.069 1.00 13.22 H new ATOM 0 HG11 VAL A 80 9.048 -5.970 -11.448 1.00 13.41 H new ATOM 0 HG12 VAL A 80 10.643 -6.486 -10.850 1.00 13.41 H new ATOM 0 HG13 VAL A 80 9.696 -7.563 -11.904 1.00 13.41 H new ATOM 0 HG21 VAL A 80 6.993 -6.975 -10.599 1.00 72.24 H new ATOM 0 HG22 VAL A 80 7.553 -8.614 -11.008 1.00 72.24 H new ATOM 0 HG23 VAL A 80 7.034 -8.240 -9.348 1.00 72.24 H new ATOM 1278 N ASN A 81 12.175 -8.821 -9.840 1.00 14.10 N ATOM 1279 CA ASN A 81 13.582 -8.446 -9.740 1.00 53.31 C ATOM 1280 C ASN A 81 13.956 -7.655 -10.985 1.00 71.12 C ATOM 1281 O ASN A 81 14.325 -8.217 -12.015 1.00 61.14 O ATOM 1282 CB ASN A 81 14.487 -9.663 -9.537 1.00 61.32 C ATOM 1283 CG ASN A 81 15.915 -9.212 -9.255 1.00 14.11 C ATOM 1284 OD1 ASN A 81 16.807 -9.356 -10.082 1.00 34.02 O ATOM 1285 ND2 ASN A 81 16.171 -8.646 -8.089 1.00 50.31 N ATOM 0 H ASN A 81 11.984 -9.514 -10.564 1.00 14.10 H new ATOM 0 HA ASN A 81 13.730 -7.823 -8.858 1.00 53.31 H new ATOM 0 HB2 ASN A 81 14.117 -10.267 -8.708 1.00 61.32 H new ATOM 0 HB3 ASN A 81 14.465 -10.294 -10.425 1.00 61.32 H new ATOM 0 HD21 ASN A 81 17.115 -8.326 -7.874 1.00 50.31 H new ATOM 0 HD22 ASN A 81 15.424 -8.529 -7.404 1.00 50.31 H new ATOM 1292 N GLU A 82 13.810 -6.343 -10.893 1.00 11.30 N ATOM 1293 CA GLU A 82 14.176 -5.349 -11.891 1.00 14.43 C ATOM 1294 C GLU A 82 15.089 -4.355 -11.171 1.00 3.10 C ATOM 1295 O GLU A 82 14.886 -4.138 -9.972 1.00 21.32 O ATOM 1296 CB GLU A 82 12.903 -4.635 -12.374 1.00 41.31 C ATOM 1297 CG GLU A 82 12.250 -5.239 -13.624 1.00 61.24 C ATOM 1298 CD GLU A 82 13.072 -4.981 -14.888 1.00 30.10 C ATOM 1299 OE1 GLU A 82 13.278 -3.807 -15.264 1.00 30.42 O ATOM 1300 OE2 GLU A 82 13.566 -5.951 -15.511 1.00 52.33 O ATOM 0 H GLU A 82 13.404 -5.914 -10.061 1.00 11.30 H new ATOM 0 HA GLU A 82 14.671 -5.791 -12.755 1.00 14.43 H new ATOM 0 HB2 GLU A 82 12.173 -4.640 -11.564 1.00 41.31 H new ATOM 0 HB3 GLU A 82 13.146 -3.592 -12.578 1.00 41.31 H new ATOM 0 HG2 GLU A 82 12.128 -6.313 -13.485 1.00 61.24 H new ATOM 0 HG3 GLU A 82 11.252 -4.819 -13.750 1.00 61.24 H new ATOM 1307 N PRO A 83 16.029 -3.698 -11.870 1.00 50.15 N ATOM 1308 CA PRO A 83 16.935 -2.751 -11.240 1.00 61.43 C ATOM 1309 C PRO A 83 16.206 -1.509 -10.717 1.00 70.34 C ATOM 1310 O PRO A 83 16.695 -0.890 -9.772 1.00 61.13 O ATOM 1311 CB PRO A 83 17.970 -2.399 -12.316 1.00 12.34 C ATOM 1312 CG PRO A 83 17.221 -2.624 -13.627 1.00 74.25 C ATOM 1313 CD PRO A 83 16.315 -3.808 -13.294 1.00 23.12 C ATOM 0 HA PRO A 83 17.407 -3.183 -10.358 1.00 61.43 H new ATOM 0 HB2 PRO A 83 18.311 -1.368 -12.222 1.00 12.34 H new ATOM 0 HB3 PRO A 83 18.853 -3.034 -12.245 1.00 12.34 H new ATOM 0 HG2 PRO A 83 16.648 -1.745 -13.922 1.00 74.25 H new ATOM 0 HG3 PRO A 83 17.901 -2.852 -14.448 1.00 74.25 H new ATOM 0 HD2 PRO A 83 15.397 -3.776 -13.881 1.00 23.12 H new ATOM 0 HD3 PRO A 83 16.807 -4.754 -13.523 1.00 23.12 H new ATOM 1321 N ALA A 84 15.068 -1.131 -11.320 1.00 34.14 N ATOM 1322 CA ALA A 84 14.428 0.147 -11.052 1.00 34.42 C ATOM 1323 C ALA A 84 12.890 0.123 -11.136 1.00 44.44 C ATOM 1324 O ALA A 84 12.265 1.187 -11.158 1.00 51.45 O ATOM 1325 CB ALA A 84 15.010 1.166 -12.044 1.00 33.41 C ATOM 0 H ALA A 84 14.575 -1.707 -12.003 1.00 34.14 H new ATOM 0 HA ALA A 84 14.638 0.418 -10.017 1.00 34.42 H new ATOM 0 HB1 ALA A 84 14.553 2.141 -11.874 1.00 33.41 H new ATOM 0 HB2 ALA A 84 16.088 1.240 -11.899 1.00 33.41 H new ATOM 0 HB3 ALA A 84 14.803 0.841 -13.063 1.00 33.41 H new ATOM 1331 N HIS A 85 12.257 -1.048 -11.219 1.00 43.25 N ATOM 1332 CA HIS A 85 10.804 -1.196 -11.302 1.00 64.23 C ATOM 1333 C HIS A 85 10.424 -2.514 -10.636 1.00 25.01 C ATOM 1334 O HIS A 85 10.092 -3.500 -11.289 1.00 50.54 O ATOM 1335 CB HIS A 85 10.348 -1.100 -12.766 1.00 30.20 C ATOM 1336 CG HIS A 85 8.895 -1.448 -13.008 1.00 23.11 C ATOM 1337 ND1 HIS A 85 8.452 -2.404 -13.896 1.00 71.03 N ATOM 1338 CD2 HIS A 85 7.793 -0.919 -12.386 1.00 64.25 C ATOM 1339 CE1 HIS A 85 7.113 -2.457 -13.809 1.00 2.44 C ATOM 1340 NE2 HIS A 85 6.668 -1.560 -12.914 1.00 34.04 N ATOM 0 H HIS A 85 12.752 -1.940 -11.231 1.00 43.25 H new ATOM 0 HA HIS A 85 10.291 -0.392 -10.775 1.00 64.23 H new ATOM 0 HB2 HIS A 85 10.527 -0.085 -13.121 1.00 30.20 H new ATOM 0 HB3 HIS A 85 10.970 -1.762 -13.369 1.00 30.20 H new ATOM 0 HD2 HIS A 85 7.794 -0.149 -11.628 1.00 64.25 H new ATOM 0 HE1 HIS A 85 6.484 -3.126 -14.378 1.00 2.44 H new ATOM 0 HE2 HIS A 85 5.695 -1.381 -12.667 1.00 34.04 H new ATOM 1348 N LYS A 86 10.527 -2.539 -9.312 1.00 3.53 N ATOM 1349 CA LYS A 86 10.028 -3.634 -8.497 1.00 24.20 C ATOM 1350 C LYS A 86 8.599 -3.259 -8.078 1.00 22.21 C ATOM 1351 O LYS A 86 8.042 -2.258 -8.526 1.00 14.24 O ATOM 1352 CB LYS A 86 11.027 -3.937 -7.352 1.00 43.44 C ATOM 1353 CG LYS A 86 12.438 -4.215 -7.923 1.00 2.42 C ATOM 1354 CD LYS A 86 13.453 -4.873 -6.968 1.00 25.02 C ATOM 1355 CE LYS A 86 14.533 -3.920 -6.411 1.00 3.20 C ATOM 1356 NZ LYS A 86 15.671 -4.678 -5.852 1.00 31.13 N ATOM 0 H LYS A 86 10.964 -1.792 -8.772 1.00 3.53 H new ATOM 0 HA LYS A 86 9.960 -4.582 -9.030 1.00 24.20 H new ATOM 0 HB2 LYS A 86 11.067 -3.093 -6.663 1.00 43.44 H new ATOM 0 HB3 LYS A 86 10.683 -4.799 -6.780 1.00 43.44 H new ATOM 0 HG2 LYS A 86 12.331 -4.855 -8.799 1.00 2.42 H new ATOM 0 HG3 LYS A 86 12.858 -3.270 -8.268 1.00 2.42 H new ATOM 0 HD2 LYS A 86 12.910 -5.313 -6.131 1.00 25.02 H new ATOM 0 HD3 LYS A 86 13.946 -5.691 -7.493 1.00 25.02 H new ATOM 0 HE2 LYS A 86 14.885 -3.261 -7.204 1.00 3.20 H new ATOM 0 HE3 LYS A 86 14.099 -3.285 -5.638 1.00 3.20 H new ATOM 0 HZ1 LYS A 86 16.383 -4.015 -5.484 1.00 31.13 H new ATOM 0 HZ2 LYS A 86 15.336 -5.289 -5.080 1.00 31.13 H new ATOM 0 HZ3 LYS A 86 16.097 -5.265 -6.598 1.00 31.13 H new ATOM 1370 N GLU A 87 7.965 -4.067 -7.245 1.00 62.04 N ATOM 1371 CA GLU A 87 6.635 -3.850 -6.674 1.00 45.44 C ATOM 1372 C GLU A 87 6.548 -4.816 -5.477 1.00 62.03 C ATOM 1373 O GLU A 87 7.555 -5.440 -5.109 1.00 34.43 O ATOM 1374 CB GLU A 87 5.523 -4.116 -7.700 1.00 44.24 C ATOM 1375 CG GLU A 87 5.703 -5.409 -8.479 1.00 74.25 C ATOM 1376 CD GLU A 87 4.353 -5.970 -8.930 1.00 42.31 C ATOM 1377 OE1 GLU A 87 3.601 -6.464 -8.063 1.00 71.43 O ATOM 1378 OE2 GLU A 87 4.046 -5.966 -10.144 1.00 74.02 O ATOM 0 H GLU A 87 8.383 -4.942 -6.928 1.00 62.04 H new ATOM 0 HA GLU A 87 6.495 -2.814 -6.367 1.00 45.44 H new ATOM 0 HB2 GLU A 87 4.564 -4.145 -7.183 1.00 44.24 H new ATOM 0 HB3 GLU A 87 5.482 -3.283 -8.402 1.00 44.24 H new ATOM 0 HG2 GLU A 87 6.335 -5.229 -9.349 1.00 74.25 H new ATOM 0 HG3 GLU A 87 6.217 -6.143 -7.858 1.00 74.25 H new ATOM 1385 N PHE A 88 5.389 -4.941 -4.840 1.00 14.51 N ATOM 1386 CA PHE A 88 5.216 -5.642 -3.584 1.00 32.01 C ATOM 1387 C PHE A 88 3.787 -6.149 -3.486 1.00 23.34 C ATOM 1388 O PHE A 88 2.860 -5.391 -3.761 1.00 31.23 O ATOM 1389 CB PHE A 88 5.568 -4.687 -2.455 1.00 54.15 C ATOM 1390 CG PHE A 88 5.787 -5.334 -1.116 1.00 44.15 C ATOM 1391 CD1 PHE A 88 6.945 -6.101 -0.888 1.00 51.45 C ATOM 1392 CD2 PHE A 88 4.850 -5.142 -0.091 1.00 14.22 C ATOM 1393 CE1 PHE A 88 7.160 -6.689 0.369 1.00 50.15 C ATOM 1394 CE2 PHE A 88 5.073 -5.720 1.165 1.00 71.13 C ATOM 1395 CZ PHE A 88 6.221 -6.489 1.391 1.00 70.11 C ATOM 0 H PHE A 88 4.521 -4.543 -5.199 1.00 14.51 H new ATOM 0 HA PHE A 88 5.873 -6.509 -3.517 1.00 32.01 H new ATOM 0 HB2 PHE A 88 6.471 -4.142 -2.730 1.00 54.15 H new ATOM 0 HB3 PHE A 88 4.769 -3.952 -2.359 1.00 54.15 H new ATOM 0 HD1 PHE A 88 7.668 -6.237 -1.679 1.00 51.45 H new ATOM 0 HD2 PHE A 88 3.963 -4.553 -0.269 1.00 14.22 H new ATOM 0 HE1 PHE A 88 8.040 -7.289 0.547 1.00 50.15 H new ATOM 0 HE2 PHE A 88 4.358 -5.572 1.961 1.00 71.13 H new ATOM 0 HZ PHE A 88 6.385 -6.932 2.362 1.00 70.11 H new ATOM 1405 N GLU A 89 3.614 -7.410 -3.089 1.00 42.32 N ATOM 1406 CA GLU A 89 2.365 -8.152 -3.205 1.00 50.45 C ATOM 1407 C GLU A 89 2.177 -9.038 -1.976 1.00 52.31 C ATOM 1408 O GLU A 89 2.963 -9.976 -1.774 1.00 10.24 O ATOM 1409 CB GLU A 89 2.427 -9.001 -4.488 1.00 42.22 C ATOM 1410 CG GLU A 89 1.783 -8.230 -5.647 1.00 12.50 C ATOM 1411 CD GLU A 89 1.717 -9.033 -6.948 1.00 65.03 C ATOM 1412 OE1 GLU A 89 2.755 -9.583 -7.395 1.00 10.10 O ATOM 1413 OE2 GLU A 89 0.614 -9.127 -7.536 1.00 70.31 O ATOM 0 H GLU A 89 4.364 -7.957 -2.666 1.00 42.32 H new ATOM 0 HA GLU A 89 1.517 -7.470 -3.261 1.00 50.45 H new ATOM 0 HB2 GLU A 89 3.463 -9.240 -4.728 1.00 42.22 H new ATOM 0 HB3 GLU A 89 1.909 -9.948 -4.335 1.00 42.22 H new ATOM 0 HG2 GLU A 89 0.774 -7.933 -5.360 1.00 12.50 H new ATOM 0 HG3 GLU A 89 2.347 -7.314 -5.822 1.00 12.50 H new ATOM 1420 N ALA A 90 1.157 -8.739 -1.162 1.00 11.52 N ATOM 1421 CA ALA A 90 0.776 -9.543 -0.008 1.00 24.22 C ATOM 1422 C ALA A 90 -0.680 -9.970 -0.106 1.00 50.22 C ATOM 1423 O ALA A 90 -1.554 -9.223 -0.570 1.00 4.41 O ATOM 1424 CB ALA A 90 0.971 -8.793 1.315 1.00 74.42 C ATOM 0 H ALA A 90 0.568 -7.917 -1.294 1.00 11.52 H new ATOM 0 HA ALA A 90 1.429 -10.416 -0.015 1.00 24.22 H new ATOM 0 HB1 ALA A 90 0.673 -9.435 2.144 1.00 74.42 H new ATOM 0 HB2 ALA A 90 2.020 -8.519 1.427 1.00 74.42 H new ATOM 0 HB3 ALA A 90 0.359 -7.891 1.316 1.00 74.42 H new ATOM 1430 N GLY A 91 -0.943 -11.149 0.437 1.00 21.12 N ATOM 1431 CA GLY A 91 -2.256 -11.716 0.615 1.00 33.32 C ATOM 1432 C GLY A 91 -2.137 -13.204 0.879 1.00 14.22 C ATOM 1433 O GLY A 91 -1.047 -13.781 0.909 1.00 73.11 O ATOM 0 H GLY A 91 -0.203 -11.761 0.780 1.00 21.12 H new ATOM 0 HA2 GLY A 91 -2.764 -11.228 1.447 1.00 33.32 H new ATOM 0 HA3 GLY A 91 -2.862 -11.542 -0.274 1.00 33.32 H new ATOM 1437 N TYR A 92 -3.279 -13.812 1.149 1.00 23.23 N ATOM 1438 CA TYR A 92 -3.357 -15.202 1.541 1.00 22.12 C ATOM 1439 C TYR A 92 -3.391 -16.071 0.287 1.00 10.12 C ATOM 1440 O TYR A 92 -4.008 -15.715 -0.722 1.00 50.22 O ATOM 1441 CB TYR A 92 -4.588 -15.409 2.432 1.00 44.21 C ATOM 1442 CG TYR A 92 -4.516 -14.722 3.792 1.00 44.02 C ATOM 1443 CD1 TYR A 92 -4.543 -13.318 3.888 1.00 65.24 C ATOM 1444 CD2 TYR A 92 -4.424 -15.482 4.972 1.00 33.23 C ATOM 1445 CE1 TYR A 92 -4.421 -12.671 5.126 1.00 2.33 C ATOM 1446 CE2 TYR A 92 -4.348 -14.842 6.225 1.00 54.15 C ATOM 1447 CZ TYR A 92 -4.327 -13.429 6.308 1.00 34.43 C ATOM 1448 OH TYR A 92 -4.260 -12.803 7.512 1.00 23.22 O ATOM 0 H TYR A 92 -4.185 -13.347 1.101 1.00 23.23 H new ATOM 0 HA TYR A 92 -2.482 -15.493 2.122 1.00 22.12 H new ATOM 0 HB2 TYR A 92 -5.468 -15.044 1.902 1.00 44.21 H new ATOM 0 HB3 TYR A 92 -4.731 -16.478 2.588 1.00 44.21 H new ATOM 0 HD1 TYR A 92 -4.660 -12.728 2.991 1.00 65.24 H new ATOM 0 HD2 TYR A 92 -4.412 -16.561 4.917 1.00 33.23 H new ATOM 0 HE1 TYR A 92 -4.399 -11.592 5.172 1.00 2.33 H new ATOM 0 HE2 TYR A 92 -4.305 -15.433 7.128 1.00 54.15 H new ATOM 0 HH TYR A 92 -4.200 -13.472 8.226 1.00 23.22 H new ATOM 1458 N ASP A 93 -2.755 -17.238 0.382 1.00 2.43 N ATOM 1459 CA ASP A 93 -2.875 -18.314 -0.599 1.00 13.23 C ATOM 1460 C ASP A 93 -4.359 -18.699 -0.716 1.00 12.21 C ATOM 1461 O ASP A 93 -5.142 -18.455 0.213 1.00 34.10 O ATOM 1462 CB ASP A 93 -1.982 -19.481 -0.142 1.00 21.50 C ATOM 1463 CG ASP A 93 -1.812 -20.647 -1.129 1.00 1.33 C ATOM 1464 OD1 ASP A 93 -2.353 -20.636 -2.249 1.00 23.01 O ATOM 1465 OD2 ASP A 93 -1.119 -21.615 -0.734 1.00 2.20 O ATOM 0 H ASP A 93 -2.131 -17.465 1.156 1.00 2.43 H new ATOM 0 HA ASP A 93 -2.539 -18.011 -1.591 1.00 13.23 H new ATOM 0 HB2 ASP A 93 -0.994 -19.083 0.088 1.00 21.50 H new ATOM 0 HB3 ASP A 93 -2.390 -19.878 0.787 1.00 21.50 H new ATOM 1470 N GLU A 94 -4.738 -19.312 -1.834 1.00 63.15 N ATOM 1471 CA GLU A 94 -6.081 -19.643 -2.299 1.00 43.42 C ATOM 1472 C GLU A 94 -6.979 -18.408 -2.513 1.00 50.35 C ATOM 1473 O GLU A 94 -8.207 -18.534 -2.579 1.00 31.33 O ATOM 1474 CB GLU A 94 -6.677 -20.716 -1.381 1.00 44.02 C ATOM 1475 CG GLU A 94 -5.972 -22.077 -1.465 1.00 10.04 C ATOM 1476 CD GLU A 94 -6.436 -22.905 -2.654 1.00 54.34 C ATOM 1477 OE1 GLU A 94 -5.955 -22.696 -3.788 1.00 14.11 O ATOM 1478 OE2 GLU A 94 -7.264 -23.824 -2.432 1.00 61.23 O ATOM 0 H GLU A 94 -4.037 -19.622 -2.507 1.00 63.15 H new ATOM 0 HA GLU A 94 -6.015 -20.065 -3.302 1.00 43.42 H new ATOM 0 HB2 GLU A 94 -6.636 -20.361 -0.351 1.00 44.02 H new ATOM 0 HB3 GLU A 94 -7.730 -20.848 -1.631 1.00 44.02 H new ATOM 0 HG2 GLU A 94 -4.896 -21.921 -1.534 1.00 10.04 H new ATOM 0 HG3 GLU A 94 -6.155 -22.634 -0.546 1.00 10.04 H new ATOM 1485 N SER A 95 -6.413 -17.201 -2.631 1.00 65.51 N ATOM 1486 CA SER A 95 -7.112 -15.969 -2.929 1.00 24.33 C ATOM 1487 C SER A 95 -6.205 -14.960 -3.642 1.00 53.03 C ATOM 1488 O SER A 95 -5.043 -15.245 -3.939 1.00 10.44 O ATOM 1489 CB SER A 95 -7.629 -15.441 -1.599 1.00 45.31 C ATOM 1490 OG SER A 95 -8.895 -16.037 -1.372 1.00 52.41 O ATOM 0 H SER A 95 -5.409 -17.062 -2.514 1.00 65.51 H new ATOM 0 HA SER A 95 -7.937 -16.142 -3.620 1.00 24.33 H new ATOM 0 HB2 SER A 95 -6.938 -15.688 -0.793 1.00 45.31 H new ATOM 0 HB3 SER A 95 -7.715 -14.355 -1.624 1.00 45.31 H new ATOM 0 HG SER A 95 -8.910 -16.934 -1.768 1.00 52.41 H new ATOM 1496 N GLU A 96 -6.772 -13.806 -3.994 1.00 41.05 N ATOM 1497 CA GLU A 96 -6.033 -12.693 -4.578 1.00 63.32 C ATOM 1498 C GLU A 96 -5.252 -11.949 -3.487 1.00 31.20 C ATOM 1499 O GLU A 96 -5.687 -11.928 -2.327 1.00 25.43 O ATOM 1500 CB GLU A 96 -6.995 -11.712 -5.285 1.00 3.52 C ATOM 1501 CG GLU A 96 -7.084 -12.021 -6.784 1.00 54.55 C ATOM 1502 CD GLU A 96 -7.786 -10.970 -7.658 1.00 61.44 C ATOM 1503 OE1 GLU A 96 -8.109 -9.839 -7.227 1.00 43.54 O ATOM 1504 OE2 GLU A 96 -7.853 -11.223 -8.888 1.00 10.50 O ATOM 0 H GLU A 96 -7.768 -13.618 -3.879 1.00 41.05 H new ATOM 0 HA GLU A 96 -5.335 -13.094 -5.313 1.00 63.32 H new ATOM 0 HB2 GLU A 96 -7.986 -11.780 -4.836 1.00 3.52 H new ATOM 0 HB3 GLU A 96 -6.649 -10.689 -5.140 1.00 3.52 H new ATOM 0 HG2 GLU A 96 -6.072 -12.161 -7.165 1.00 54.55 H new ATOM 0 HG3 GLU A 96 -7.605 -12.971 -6.907 1.00 54.55 H new ATOM 1511 N PRO A 97 -4.165 -11.245 -3.857 1.00 70.43 N ATOM 1512 CA PRO A 97 -3.550 -10.263 -2.985 1.00 41.31 C ATOM 1513 C PRO A 97 -4.551 -9.166 -2.639 1.00 22.43 C ATOM 1514 O PRO A 97 -5.397 -8.796 -3.462 1.00 31.31 O ATOM 1515 CB PRO A 97 -2.338 -9.692 -3.730 1.00 31.40 C ATOM 1516 CG PRO A 97 -2.564 -10.100 -5.185 1.00 2.30 C ATOM 1517 CD PRO A 97 -3.446 -11.339 -5.118 1.00 14.10 C ATOM 0 HA PRO A 97 -3.233 -10.716 -2.045 1.00 41.31 H new ATOM 0 HB2 PRO A 97 -2.280 -8.609 -3.625 1.00 31.40 H new ATOM 0 HB3 PRO A 97 -1.404 -10.100 -3.343 1.00 31.40 H new ATOM 0 HG2 PRO A 97 -3.048 -9.302 -5.747 1.00 2.30 H new ATOM 0 HG3 PRO A 97 -1.620 -10.315 -5.685 1.00 2.30 H new ATOM 0 HD2 PRO A 97 -4.137 -11.373 -5.960 1.00 14.10 H new ATOM 0 HD3 PRO A 97 -2.847 -12.249 -5.160 1.00 14.10 H new ATOM 1525 N SER A 98 -4.404 -8.584 -1.452 1.00 12.44 N ATOM 1526 CA SER A 98 -5.240 -7.479 -0.986 1.00 24.51 C ATOM 1527 C SER A 98 -4.402 -6.206 -0.784 1.00 10.21 C ATOM 1528 O SER A 98 -4.949 -5.101 -0.714 1.00 33.31 O ATOM 1529 CB SER A 98 -5.981 -7.939 0.279 1.00 70.23 C ATOM 1530 OG SER A 98 -7.085 -7.100 0.561 1.00 41.35 O ATOM 0 H SER A 98 -3.693 -8.869 -0.778 1.00 12.44 H new ATOM 0 HA SER A 98 -5.987 -7.212 -1.734 1.00 24.51 H new ATOM 0 HB2 SER A 98 -6.325 -8.965 0.149 1.00 70.23 H new ATOM 0 HB3 SER A 98 -5.295 -7.938 1.126 1.00 70.23 H new ATOM 0 HG SER A 98 -7.424 -7.297 1.459 1.00 41.35 H new ATOM 1536 N LEU A 99 -3.072 -6.330 -0.752 1.00 54.02 N ATOM 1537 CA LEU A 99 -2.119 -5.250 -0.560 1.00 52.35 C ATOM 1538 C LEU A 99 -1.162 -5.336 -1.739 1.00 44.41 C ATOM 1539 O LEU A 99 -0.492 -6.358 -1.910 1.00 4.40 O ATOM 1540 CB LEU A 99 -1.455 -5.435 0.818 1.00 70.43 C ATOM 1541 CG LEU A 99 -0.266 -4.532 1.209 1.00 12.10 C ATOM 1542 CD1 LEU A 99 1.057 -4.836 0.491 1.00 53.34 C ATOM 1543 CD2 LEU A 99 -0.593 -3.045 1.061 1.00 43.01 C ATOM 0 H LEU A 99 -2.615 -7.235 -0.866 1.00 54.02 H new ATOM 0 HA LEU A 99 -2.558 -4.252 -0.546 1.00 52.35 H new ATOM 0 HB2 LEU A 99 -2.228 -5.305 1.575 1.00 70.43 H new ATOM 0 HB3 LEU A 99 -1.117 -6.469 0.883 1.00 70.43 H new ATOM 0 HG LEU A 99 -0.108 -4.775 2.260 1.00 12.10 H new ATOM 0 HD11 LEU A 99 1.826 -4.146 0.838 1.00 53.34 H new ATOM 0 HD12 LEU A 99 1.363 -5.859 0.709 1.00 53.34 H new ATOM 0 HD13 LEU A 99 0.923 -4.719 -0.584 1.00 53.34 H new ATOM 0 HD21 LEU A 99 0.275 -2.451 1.348 1.00 43.01 H new ATOM 0 HD22 LEU A 99 -0.852 -2.831 0.024 1.00 43.01 H new ATOM 0 HD23 LEU A 99 -1.435 -2.792 1.705 1.00 43.01 H new ATOM 1555 N ARG A 100 -1.111 -4.281 -2.557 1.00 34.32 N ATOM 1556 CA ARG A 100 -0.138 -4.140 -3.630 1.00 51.13 C ATOM 1557 C ARG A 100 0.484 -2.766 -3.528 1.00 11.51 C ATOM 1558 O ARG A 100 -0.218 -1.788 -3.274 1.00 13.22 O ATOM 1559 CB ARG A 100 -0.774 -4.336 -5.008 1.00 11.22 C ATOM 1560 CG ARG A 100 0.294 -4.367 -6.119 1.00 23.04 C ATOM 1561 CD ARG A 100 -0.250 -4.596 -7.533 1.00 14.32 C ATOM 1562 NE ARG A 100 -1.425 -3.755 -7.824 1.00 30.34 N ATOM 1563 CZ ARG A 100 -2.689 -4.167 -7.955 1.00 53.41 C ATOM 1564 NH1 ARG A 100 -3.008 -5.446 -7.792 1.00 11.32 N ATOM 1565 NH2 ARG A 100 -3.638 -3.283 -8.241 1.00 13.23 N ATOM 0 H ARG A 100 -1.755 -3.493 -2.487 1.00 34.32 H new ATOM 0 HA ARG A 100 0.623 -4.913 -3.522 1.00 51.13 H new ATOM 0 HB2 ARG A 100 -1.341 -5.267 -5.020 1.00 11.22 H new ATOM 0 HB3 ARG A 100 -1.481 -3.529 -5.203 1.00 11.22 H new ATOM 0 HG2 ARG A 100 0.840 -3.424 -6.104 1.00 23.04 H new ATOM 0 HG3 ARG A 100 1.012 -5.154 -5.890 1.00 23.04 H new ATOM 0 HD2 ARG A 100 0.534 -4.385 -8.260 1.00 14.32 H new ATOM 0 HD3 ARG A 100 -0.519 -5.646 -7.651 1.00 14.32 H new ATOM 0 HE ARG A 100 -1.256 -2.756 -7.937 1.00 30.34 H new ATOM 0 HH11 ARG A 100 -2.284 -6.127 -7.564 1.00 11.32 H new ATOM 0 HH12 ARG A 100 -3.977 -5.747 -7.895 1.00 11.32 H new ATOM 0 HH21 ARG A 100 -3.399 -2.298 -8.359 1.00 13.23 H new ATOM 0 HH22 ARG A 100 -4.606 -3.589 -8.343 1.00 13.23 H new ATOM 1579 N VAL A 101 1.792 -2.690 -3.718 1.00 53.42 N ATOM 1580 CA VAL A 101 2.563 -1.461 -3.595 1.00 71.35 C ATOM 1581 C VAL A 101 3.693 -1.529 -4.604 1.00 64.33 C ATOM 1582 O VAL A 101 4.619 -2.317 -4.430 1.00 52.42 O ATOM 1583 CB VAL A 101 3.106 -1.310 -2.159 1.00 30.31 C ATOM 1584 CG1 VAL A 101 3.883 0.005 -2.005 1.00 13.11 C ATOM 1585 CG2 VAL A 101 1.968 -1.239 -1.137 1.00 53.54 C ATOM 0 H VAL A 101 2.361 -3.499 -3.968 1.00 53.42 H new ATOM 0 HA VAL A 101 1.938 -0.590 -3.794 1.00 71.35 H new ATOM 0 HB VAL A 101 3.741 -2.178 -1.983 1.00 30.31 H new ATOM 0 HG11 VAL A 101 4.256 0.090 -0.984 1.00 13.11 H new ATOM 0 HG12 VAL A 101 4.722 0.015 -2.700 1.00 13.11 H new ATOM 0 HG13 VAL A 101 3.223 0.845 -2.221 1.00 13.11 H new ATOM 0 HG21 VAL A 101 2.385 -1.133 -0.135 1.00 53.54 H new ATOM 0 HG22 VAL A 101 1.333 -0.381 -1.359 1.00 53.54 H new ATOM 0 HG23 VAL A 101 1.375 -2.152 -1.188 1.00 53.54 H new ATOM 1595 N VAL A 102 3.638 -0.740 -5.669 1.00 73.34 N ATOM 1596 CA VAL A 102 4.671 -0.778 -6.675 1.00 33.13 C ATOM 1597 C VAL A 102 5.946 -0.165 -6.057 1.00 32.34 C ATOM 1598 O VAL A 102 5.853 0.625 -5.108 1.00 32.30 O ATOM 1599 CB VAL A 102 4.170 0.010 -7.889 1.00 52.22 C ATOM 1600 CG1 VAL A 102 4.508 1.478 -7.762 1.00 12.53 C ATOM 1601 CG2 VAL A 102 4.633 -0.609 -9.185 1.00 44.53 C ATOM 0 H VAL A 102 2.889 -0.071 -5.851 1.00 73.34 H new ATOM 0 HA VAL A 102 4.906 -1.790 -7.004 1.00 33.13 H new ATOM 0 HB VAL A 102 3.082 -0.049 -7.912 1.00 52.22 H new ATOM 0 HG11 VAL A 102 4.141 2.013 -8.638 1.00 12.53 H new ATOM 0 HG12 VAL A 102 4.039 1.883 -6.866 1.00 12.53 H new ATOM 0 HG13 VAL A 102 5.589 1.598 -7.691 1.00 12.53 H new ATOM 0 HG21 VAL A 102 4.258 -0.022 -10.023 1.00 44.53 H new ATOM 0 HG22 VAL A 102 5.723 -0.625 -9.212 1.00 44.53 H new ATOM 0 HG23 VAL A 102 4.254 -1.628 -9.257 1.00 44.53 H new ATOM 1611 N PHE A 103 7.130 -0.399 -6.633 1.00 53.51 N ATOM 1612 CA PHE A 103 8.341 0.310 -6.213 1.00 22.01 C ATOM 1613 C PHE A 103 9.185 0.698 -7.431 1.00 33.00 C ATOM 1614 O PHE A 103 9.893 -0.125 -8.004 1.00 44.21 O ATOM 1615 CB PHE A 103 9.145 -0.524 -5.186 1.00 51.34 C ATOM 1616 CG PHE A 103 8.543 -0.573 -3.786 1.00 62.03 C ATOM 1617 CD1 PHE A 103 7.497 -1.470 -3.505 1.00 65.02 C ATOM 1618 CD2 PHE A 103 8.981 0.300 -2.767 1.00 32.20 C ATOM 1619 CE1 PHE A 103 6.875 -1.469 -2.245 1.00 45.25 C ATOM 1620 CE2 PHE A 103 8.357 0.283 -1.507 1.00 14.34 C ATOM 1621 CZ PHE A 103 7.307 -0.601 -1.238 1.00 61.03 C ATOM 0 H PHE A 103 7.274 -1.070 -7.387 1.00 53.51 H new ATOM 0 HA PHE A 103 8.049 1.233 -5.711 1.00 22.01 H new ATOM 0 HB2 PHE A 103 9.239 -1.543 -5.561 1.00 51.34 H new ATOM 0 HB3 PHE A 103 10.153 -0.116 -5.118 1.00 51.34 H new ATOM 0 HD1 PHE A 103 7.169 -2.165 -4.264 1.00 65.02 H new ATOM 0 HD2 PHE A 103 9.797 0.982 -2.955 1.00 32.20 H new ATOM 0 HE1 PHE A 103 6.055 -2.145 -2.053 1.00 45.25 H new ATOM 0 HE2 PHE A 103 8.693 0.961 -0.737 1.00 14.34 H new ATOM 0 HZ PHE A 103 6.837 -0.613 -0.266 1.00 61.03 H new ATOM 1631 N GLU A 104 9.146 1.970 -7.833 1.00 45.44 N ATOM 1632 CA GLU A 104 9.922 2.486 -8.959 1.00 30.32 C ATOM 1633 C GLU A 104 11.140 3.209 -8.384 1.00 74.21 C ATOM 1634 O GLU A 104 11.036 3.832 -7.327 1.00 45.21 O ATOM 1635 CB GLU A 104 9.018 3.401 -9.809 1.00 50.32 C ATOM 1636 CG GLU A 104 8.036 2.535 -10.619 1.00 51.20 C ATOM 1637 CD GLU A 104 7.032 3.293 -11.493 1.00 71.02 C ATOM 1638 OE1 GLU A 104 6.729 4.481 -11.249 1.00 33.11 O ATOM 1639 OE2 GLU A 104 6.475 2.680 -12.430 1.00 74.00 O ATOM 0 H GLU A 104 8.568 2.677 -7.380 1.00 45.44 H new ATOM 0 HA GLU A 104 10.277 1.695 -9.619 1.00 30.32 H new ATOM 0 HB2 GLU A 104 8.469 4.089 -9.166 1.00 50.32 H new ATOM 0 HB3 GLU A 104 9.625 4.008 -10.481 1.00 50.32 H new ATOM 0 HG2 GLU A 104 8.614 1.869 -11.259 1.00 51.20 H new ATOM 0 HG3 GLU A 104 7.480 1.906 -9.924 1.00 51.20 H new ATOM 1646 N LEU A 105 12.291 3.127 -9.050 1.00 53.43 N ATOM 1647 CA LEU A 105 13.506 3.883 -8.762 1.00 51.31 C ATOM 1648 C LEU A 105 13.644 4.900 -9.885 1.00 21.34 C ATOM 1649 O LEU A 105 13.837 4.517 -11.034 1.00 72.44 O ATOM 1650 CB LEU A 105 14.738 2.964 -8.735 1.00 52.22 C ATOM 1651 CG LEU A 105 16.087 3.685 -8.532 1.00 70.11 C ATOM 1652 CD1 LEU A 105 16.410 3.909 -7.058 1.00 14.14 C ATOM 1653 CD2 LEU A 105 17.229 2.865 -9.146 1.00 3.13 C ATOM 0 H LEU A 105 12.406 2.499 -9.845 1.00 53.43 H new ATOM 0 HA LEU A 105 13.442 4.360 -7.784 1.00 51.31 H new ATOM 0 HB2 LEU A 105 14.610 2.234 -7.936 1.00 52.22 H new ATOM 0 HB3 LEU A 105 14.778 2.408 -9.672 1.00 52.22 H new ATOM 0 HG LEU A 105 15.994 4.653 -9.024 1.00 70.11 H new ATOM 0 HD11 LEU A 105 17.369 4.420 -6.969 1.00 14.14 H new ATOM 0 HD12 LEU A 105 15.630 4.520 -6.603 1.00 14.14 H new ATOM 0 HD13 LEU A 105 16.462 2.948 -6.547 1.00 14.14 H new ATOM 0 HD21 LEU A 105 18.174 3.387 -8.995 1.00 3.13 H new ATOM 0 HD22 LEU A 105 17.274 1.887 -8.666 1.00 3.13 H new ATOM 0 HD23 LEU A 105 17.052 2.738 -10.214 1.00 3.13 H new ATOM 1665 N THR A 106 13.572 6.188 -9.588 1.00 2.53 N ATOM 1666 CA THR A 106 13.754 7.261 -10.558 1.00 61.31 C ATOM 1667 C THR A 106 14.593 8.342 -9.872 1.00 51.53 C ATOM 1668 O THR A 106 14.493 8.527 -8.660 1.00 30.35 O ATOM 1669 CB THR A 106 12.358 7.718 -11.018 1.00 54.43 C ATOM 1670 OG1 THR A 106 11.772 6.701 -11.813 1.00 64.32 O ATOM 1671 CG2 THR A 106 12.359 8.983 -11.878 1.00 64.30 C ATOM 0 H THR A 106 13.381 6.526 -8.645 1.00 2.53 H new ATOM 0 HA THR A 106 14.290 6.965 -11.460 1.00 61.31 H new ATOM 0 HB THR A 106 11.808 7.927 -10.100 1.00 54.43 H new ATOM 0 HG1 THR A 106 10.882 6.987 -12.107 1.00 64.32 H new ATOM 0 HG21 THR A 106 11.336 9.234 -12.158 1.00 64.30 H new ATOM 0 HG22 THR A 106 12.793 9.807 -11.312 1.00 64.30 H new ATOM 0 HG23 THR A 106 12.949 8.811 -12.778 1.00 64.30 H new ATOM 1679 N ASP A 107 15.468 9.020 -10.625 1.00 71.13 N ATOM 1680 CA ASP A 107 16.432 10.011 -10.120 1.00 54.44 C ATOM 1681 C ASP A 107 17.427 9.423 -9.102 1.00 32.32 C ATOM 1682 O ASP A 107 18.168 10.145 -8.432 1.00 64.43 O ATOM 1683 CB ASP A 107 15.670 11.231 -9.579 1.00 52.10 C ATOM 1684 CG ASP A 107 16.538 12.457 -9.307 1.00 65.42 C ATOM 1685 OD1 ASP A 107 17.534 12.709 -10.031 1.00 23.13 O ATOM 1686 OD2 ASP A 107 16.147 13.227 -8.396 1.00 64.22 O ATOM 0 H ASP A 107 15.528 8.891 -11.635 1.00 71.13 H new ATOM 0 HA ASP A 107 17.058 10.335 -10.951 1.00 54.44 H new ATOM 0 HB2 ASP A 107 14.894 11.504 -10.294 1.00 52.10 H new ATOM 0 HB3 ASP A 107 15.166 10.947 -8.655 1.00 52.10 H new ATOM 1691 N GLY A 108 17.484 8.095 -8.975 1.00 61.02 N ATOM 1692 CA GLY A 108 18.274 7.414 -7.960 1.00 42.10 C ATOM 1693 C GLY A 108 17.576 7.400 -6.601 1.00 3.24 C ATOM 1694 O GLY A 108 18.255 7.208 -5.590 1.00 74.33 O ATOM 0 H GLY A 108 16.973 7.458 -9.586 1.00 61.02 H new ATOM 0 HA2 GLY A 108 18.467 6.390 -8.278 1.00 42.10 H new ATOM 0 HA3 GLY A 108 19.242 7.906 -7.865 1.00 42.10 H new ATOM 1698 N LYS A 109 16.253 7.603 -6.539 1.00 64.31 N ATOM 1699 CA LYS A 109 15.469 7.362 -5.334 1.00 44.54 C ATOM 1700 C LYS A 109 14.334 6.410 -5.644 1.00 5.32 C ATOM 1701 O LYS A 109 13.765 6.454 -6.733 1.00 45.54 O ATOM 1702 CB LYS A 109 14.880 8.664 -4.793 1.00 74.32 C ATOM 1703 CG LYS A 109 15.889 9.785 -4.552 1.00 32.31 C ATOM 1704 CD LYS A 109 16.874 9.457 -3.424 1.00 64.30 C ATOM 1705 CE LYS A 109 18.255 10.005 -3.784 1.00 32.15 C ATOM 1706 NZ LYS A 109 19.319 9.177 -3.201 1.00 1.15 N ATOM 0 H LYS A 109 15.701 7.940 -7.328 1.00 64.31 H new ATOM 0 HA LYS A 109 16.131 6.931 -4.583 1.00 44.54 H new ATOM 0 HB2 LYS A 109 14.125 9.021 -5.494 1.00 74.32 H new ATOM 0 HB3 LYS A 109 14.368 8.450 -3.855 1.00 74.32 H new ATOM 0 HG2 LYS A 109 16.444 9.973 -5.471 1.00 32.31 H new ATOM 0 HG3 LYS A 109 15.355 10.703 -4.308 1.00 32.31 H new ATOM 0 HD2 LYS A 109 16.530 9.894 -2.487 1.00 64.30 H new ATOM 0 HD3 LYS A 109 16.926 8.379 -3.273 1.00 64.30 H new ATOM 0 HE2 LYS A 109 18.366 10.036 -4.868 1.00 32.15 H new ATOM 0 HE3 LYS A 109 18.349 11.030 -3.424 1.00 32.15 H new ATOM 0 HZ1 LYS A 109 20.246 9.570 -3.460 1.00 1.15 H new ATOM 0 HZ2 LYS A 109 19.224 9.168 -2.165 1.00 1.15 H new ATOM 0 HZ3 LYS A 109 19.241 8.206 -3.564 1.00 1.15 H new ATOM 1720 N TRP A 110 13.998 5.568 -4.679 1.00 50.53 N ATOM 1721 CA TRP A 110 12.832 4.713 -4.743 1.00 10.42 C ATOM 1722 C TRP A 110 11.632 5.548 -4.298 1.00 4.42 C ATOM 1723 O TRP A 110 11.662 6.161 -3.226 1.00 12.44 O ATOM 1724 CB TRP A 110 13.082 3.488 -3.864 1.00 65.30 C ATOM 1725 CG TRP A 110 14.088 2.506 -4.410 1.00 22.35 C ATOM 1726 CD1 TRP A 110 15.388 2.460 -4.043 1.00 31.42 C ATOM 1727 CD2 TRP A 110 13.923 1.420 -5.386 1.00 64.23 C ATOM 1728 NE1 TRP A 110 16.035 1.458 -4.729 1.00 12.43 N ATOM 1729 CE2 TRP A 110 15.197 0.813 -5.602 1.00 62.05 C ATOM 1730 CE3 TRP A 110 12.854 0.892 -6.144 1.00 2.51 C ATOM 1731 CZ2 TRP A 110 15.411 -0.192 -6.556 1.00 44.11 C ATOM 1732 CZ3 TRP A 110 13.050 -0.149 -7.072 1.00 30.43 C ATOM 1733 CH2 TRP A 110 14.326 -0.686 -7.283 1.00 24.00 C ATOM 0 H TRP A 110 14.537 5.461 -3.820 1.00 50.53 H new ATOM 0 HA TRP A 110 12.629 4.343 -5.748 1.00 10.42 H new ATOM 0 HB2 TRP A 110 13.421 3.825 -2.885 1.00 65.30 H new ATOM 0 HB3 TRP A 110 12.136 2.969 -3.712 1.00 65.30 H new ATOM 0 HD1 TRP A 110 15.851 3.113 -3.318 1.00 31.42 H new ATOM 0 HE1 TRP A 110 17.020 1.223 -4.603 1.00 12.43 H new ATOM 0 HE3 TRP A 110 11.862 1.297 -6.008 1.00 2.51 H new ATOM 0 HZ2 TRP A 110 16.404 -0.580 -6.727 1.00 44.11 H new ATOM 0 HZ3 TRP A 110 12.208 -0.537 -7.626 1.00 30.43 H new ATOM 0 HH2 TRP A 110 14.470 -1.477 -8.004 1.00 24.00 H new ATOM 1744 N TYR A 111 10.600 5.595 -5.137 1.00 63.23 N ATOM 1745 CA TYR A 111 9.285 6.109 -4.812 1.00 10.14 C ATOM 1746 C TYR A 111 8.281 4.985 -5.041 1.00 73.11 C ATOM 1747 O TYR A 111 8.322 4.308 -6.072 1.00 50.51 O ATOM 1748 CB TYR A 111 8.932 7.306 -5.700 1.00 45.20 C ATOM 1749 CG TYR A 111 9.860 8.500 -5.575 1.00 53.34 C ATOM 1750 CD1 TYR A 111 9.646 9.453 -4.562 1.00 52.24 C ATOM 1751 CD2 TYR A 111 10.922 8.673 -6.485 1.00 70.33 C ATOM 1752 CE1 TYR A 111 10.496 10.565 -4.450 1.00 41.22 C ATOM 1753 CE2 TYR A 111 11.771 9.789 -6.386 1.00 14.43 C ATOM 1754 CZ TYR A 111 11.567 10.734 -5.355 1.00 1.52 C ATOM 1755 OH TYR A 111 12.406 11.794 -5.192 1.00 30.42 O ATOM 0 H TYR A 111 10.666 5.261 -6.099 1.00 63.23 H new ATOM 0 HA TYR A 111 9.265 6.446 -3.776 1.00 10.14 H new ATOM 0 HB2 TYR A 111 8.927 6.978 -6.739 1.00 45.20 H new ATOM 0 HB3 TYR A 111 7.918 7.628 -5.462 1.00 45.20 H new ATOM 0 HD1 TYR A 111 8.827 9.329 -3.870 1.00 52.24 H new ATOM 0 HD2 TYR A 111 11.085 7.943 -7.264 1.00 70.33 H new ATOM 0 HE1 TYR A 111 10.330 11.293 -3.670 1.00 41.22 H new ATOM 0 HE2 TYR A 111 12.575 9.924 -7.094 1.00 14.43 H new ATOM 0 HH TYR A 111 13.094 11.777 -5.890 1.00 30.42 H new ATOM 1765 N VAL A 112 7.363 4.757 -4.112 1.00 31.21 N ATOM 1766 CA VAL A 112 6.117 4.087 -4.446 1.00 12.25 C ATOM 1767 C VAL A 112 5.382 5.043 -5.388 1.00 33.45 C ATOM 1768 O VAL A 112 5.341 6.249 -5.125 1.00 1.14 O ATOM 1769 CB VAL A 112 5.335 3.830 -3.149 1.00 21.43 C ATOM 1770 CG1 VAL A 112 3.929 3.286 -3.415 1.00 34.24 C ATOM 1771 CG2 VAL A 112 6.096 2.867 -2.222 1.00 73.44 C ATOM 0 H VAL A 112 7.457 5.023 -3.132 1.00 31.21 H new ATOM 0 HA VAL A 112 6.256 3.120 -4.929 1.00 12.25 H new ATOM 0 HB VAL A 112 5.234 4.797 -2.656 1.00 21.43 H new ATOM 0 HG11 VAL A 112 3.417 3.121 -2.467 1.00 34.24 H new ATOM 0 HG12 VAL A 112 3.367 4.006 -4.010 1.00 34.24 H new ATOM 0 HG13 VAL A 112 4.000 2.343 -3.958 1.00 34.24 H new ATOM 0 HG21 VAL A 112 5.518 2.704 -1.312 1.00 73.44 H new ATOM 0 HG22 VAL A 112 6.247 1.915 -2.731 1.00 73.44 H new ATOM 0 HG23 VAL A 112 7.063 3.298 -1.965 1.00 73.44 H new ATOM 1781 N THR A 113 4.816 4.538 -6.477 1.00 63.10 N ATOM 1782 CA THR A 113 4.113 5.382 -7.446 1.00 65.33 C ATOM 1783 C THR A 113 2.679 4.912 -7.717 1.00 32.43 C ATOM 1784 O THR A 113 1.909 5.638 -8.351 1.00 71.23 O ATOM 1785 CB THR A 113 4.964 5.496 -8.717 1.00 24.41 C ATOM 1786 OG1 THR A 113 5.184 4.212 -9.232 1.00 62.40 O ATOM 1787 CG2 THR A 113 6.339 6.120 -8.461 1.00 25.31 C ATOM 0 H THR A 113 4.828 3.546 -6.715 1.00 63.10 H new ATOM 0 HA THR A 113 3.990 6.379 -7.022 1.00 65.33 H new ATOM 0 HB THR A 113 4.415 6.137 -9.407 1.00 24.41 H new ATOM 0 HG1 THR A 113 5.428 4.277 -10.179 1.00 62.40 H new ATOM 0 HG21 THR A 113 6.894 6.174 -9.397 1.00 25.31 H new ATOM 0 HG22 THR A 113 6.213 7.124 -8.055 1.00 25.31 H new ATOM 0 HG23 THR A 113 6.890 5.507 -7.748 1.00 25.31 H new ATOM 1795 N ASP A 114 2.291 3.748 -7.188 1.00 13.13 N ATOM 1796 CA ASP A 114 0.939 3.208 -7.218 1.00 41.33 C ATOM 1797 C ASP A 114 0.693 2.396 -5.935 1.00 71.11 C ATOM 1798 O ASP A 114 1.658 2.044 -5.252 1.00 63.13 O ATOM 1799 CB ASP A 114 0.715 2.322 -8.438 1.00 45.11 C ATOM 1800 CG ASP A 114 -0.780 2.039 -8.585 1.00 74.25 C ATOM 1801 OD1 ASP A 114 -1.602 2.795 -8.006 1.00 30.44 O ATOM 1802 OD2 ASP A 114 -1.137 1.099 -9.313 1.00 52.31 O ATOM 0 H ASP A 114 2.946 3.132 -6.706 1.00 13.13 H new ATOM 0 HA ASP A 114 0.238 4.041 -7.279 1.00 41.33 H new ATOM 0 HB2 ASP A 114 1.094 2.813 -9.334 1.00 45.11 H new ATOM 0 HB3 ASP A 114 1.265 1.387 -8.330 1.00 45.11 H new ATOM 1807 N CYS A 115 -0.565 2.115 -5.580 1.00 10.41 N ATOM 1808 CA CYS A 115 -0.966 1.369 -4.398 1.00 70.25 C ATOM 1809 C CYS A 115 -2.379 0.798 -4.586 1.00 65.02 C ATOM 1810 O CYS A 115 -3.254 1.481 -5.139 1.00 71.34 O ATOM 1811 CB CYS A 115 -0.945 2.343 -3.213 1.00 72.34 C ATOM 1812 SG CYS A 115 -1.058 1.453 -1.644 1.00 74.11 S ATOM 0 H CYS A 115 -1.363 2.418 -6.139 1.00 10.41 H new ATOM 0 HA CYS A 115 -0.287 0.534 -4.223 1.00 70.25 H new ATOM 0 HB2 CYS A 115 -0.028 2.931 -3.237 1.00 72.34 H new ATOM 0 HB3 CYS A 115 -1.775 3.044 -3.299 1.00 72.34 H new ATOM 0 HG CYS A 115 -0.354 2.071 -0.743 1.00 74.11 H new ATOM 1818 N TYR A 116 -2.611 -0.398 -4.041 1.00 34.00 N ATOM 1819 CA TYR A 116 -3.908 -1.009 -3.773 1.00 71.13 C ATOM 1820 C TYR A 116 -3.869 -1.518 -2.323 1.00 51.43 C ATOM 1821 O TYR A 116 -2.816 -1.972 -1.862 1.00 74.45 O ATOM 1822 CB TYR A 116 -4.161 -2.141 -4.783 1.00 61.32 C ATOM 1823 CG TYR A 116 -5.532 -2.781 -4.687 1.00 71.43 C ATOM 1824 CD1 TYR A 116 -6.683 -2.079 -5.096 1.00 73.45 C ATOM 1825 CD2 TYR A 116 -5.655 -4.087 -4.178 1.00 25.10 C ATOM 1826 CE1 TYR A 116 -7.959 -2.647 -4.919 1.00 72.45 C ATOM 1827 CE2 TYR A 116 -6.925 -4.668 -4.020 1.00 4.03 C ATOM 1828 CZ TYR A 116 -8.086 -3.923 -4.326 1.00 70.52 C ATOM 1829 OH TYR A 116 -9.325 -4.431 -4.079 1.00 25.11 O ATOM 0 H TYR A 116 -1.842 -1.005 -3.757 1.00 34.00 H new ATOM 0 HA TYR A 116 -4.728 -0.300 -3.885 1.00 71.13 H new ATOM 0 HB2 TYR A 116 -4.029 -1.747 -5.791 1.00 61.32 H new ATOM 0 HB3 TYR A 116 -3.404 -2.912 -4.641 1.00 61.32 H new ATOM 0 HD1 TYR A 116 -6.586 -1.102 -5.547 1.00 73.45 H new ATOM 0 HD2 TYR A 116 -4.771 -4.645 -3.908 1.00 25.10 H new ATOM 0 HE1 TYR A 116 -8.840 -2.108 -5.236 1.00 72.45 H new ATOM 0 HE2 TYR A 116 -7.014 -5.684 -3.665 1.00 4.03 H new ATOM 0 HH TYR A 116 -9.322 -4.897 -3.217 1.00 25.11 H new ATOM 1839 N ASN A 117 -4.972 -1.417 -1.573 1.00 34.13 N ATOM 1840 CA ASN A 117 -5.021 -1.855 -0.172 1.00 51.31 C ATOM 1841 C ASN A 117 -6.427 -2.324 0.200 1.00 43.35 C ATOM 1842 O ASN A 117 -7.401 -1.947 -0.459 1.00 53.32 O ATOM 1843 CB ASN A 117 -4.602 -0.712 0.775 1.00 32.24 C ATOM 1844 CG ASN A 117 -3.935 -1.214 2.057 1.00 73.41 C ATOM 1845 OD1 ASN A 117 -4.078 -2.365 2.454 1.00 24.42 O ATOM 1846 ND2 ASN A 117 -3.196 -0.368 2.749 1.00 3.21 N ATOM 0 H ASN A 117 -5.852 -1.032 -1.917 1.00 34.13 H new ATOM 0 HA ASN A 117 -4.324 -2.685 -0.063 1.00 51.31 H new ATOM 0 HB2 ASN A 117 -3.916 -0.046 0.251 1.00 32.24 H new ATOM 0 HB3 ASN A 117 -5.481 -0.123 1.036 1.00 32.24 H new ATOM 0 HD21 ASN A 117 -2.745 -0.672 3.612 1.00 3.21 H new ATOM 0 HD22 ASN A 117 -3.075 0.590 2.421 1.00 3.21 H new ATOM 1853 N ASP A 118 -6.541 -3.054 1.306 1.00 24.20 N ATOM 1854 CA ASP A 118 -7.771 -3.694 1.765 1.00 41.41 C ATOM 1855 C ASP A 118 -8.891 -2.705 2.104 1.00 33.12 C ATOM 1856 O ASP A 118 -10.075 -3.048 2.073 1.00 42.31 O ATOM 1857 CB ASP A 118 -7.462 -4.600 2.955 1.00 61.42 C ATOM 1858 CG ASP A 118 -8.690 -5.427 3.329 1.00 21.33 C ATOM 1859 OD1 ASP A 118 -9.205 -6.170 2.461 1.00 51.01 O ATOM 1860 OD2 ASP A 118 -9.116 -5.343 4.502 1.00 51.22 O ATOM 0 H ASP A 118 -5.752 -3.222 1.930 1.00 24.20 H new ATOM 0 HA ASP A 118 -8.151 -4.288 0.934 1.00 41.41 H new ATOM 0 HB2 ASP A 118 -6.631 -5.262 2.710 1.00 61.42 H new ATOM 0 HB3 ASP A 118 -7.149 -3.997 3.807 1.00 61.42 H new ATOM 1865 N TRP A 119 -8.528 -1.449 2.363 1.00 42.05 N ATOM 1866 CA TRP A 119 -9.437 -0.374 2.728 1.00 11.23 C ATOM 1867 C TRP A 119 -10.461 -0.002 1.654 1.00 24.11 C ATOM 1868 O TRP A 119 -11.437 0.661 1.989 1.00 43.21 O ATOM 1869 CB TRP A 119 -8.602 0.854 3.100 1.00 4.43 C ATOM 1870 CG TRP A 119 -8.068 0.820 4.494 1.00 63.35 C ATOM 1871 CD1 TRP A 119 -6.778 0.676 4.873 1.00 61.51 C ATOM 1872 CD2 TRP A 119 -8.829 1.020 5.719 1.00 11.33 C ATOM 1873 NE1 TRP A 119 -6.690 0.797 6.248 1.00 11.14 N ATOM 1874 CE2 TRP A 119 -7.928 1.015 6.815 1.00 43.01 C ATOM 1875 CE3 TRP A 119 -10.187 1.276 6.004 1.00 64.23 C ATOM 1876 CZ2 TRP A 119 -8.361 1.257 8.124 1.00 52.04 C ATOM 1877 CZ3 TRP A 119 -10.625 1.558 7.314 1.00 64.35 C ATOM 1878 CH2 TRP A 119 -9.701 1.566 8.373 1.00 2.20 C ATOM 0 H TRP A 119 -7.555 -1.146 2.322 1.00 42.05 H new ATOM 0 HA TRP A 119 -10.030 -0.736 3.568 1.00 11.23 H new ATOM 0 HB2 TRP A 119 -7.768 0.939 2.403 1.00 4.43 H new ATOM 0 HB3 TRP A 119 -9.213 1.748 2.977 1.00 4.43 H new ATOM 0 HD1 TRP A 119 -5.947 0.495 4.207 1.00 61.51 H new ATOM 0 HE1 TRP A 119 -5.820 0.733 6.776 1.00 11.14 H new ATOM 0 HE3 TRP A 119 -10.908 1.255 5.200 1.00 64.23 H new ATOM 0 HZ2 TRP A 119 -7.659 1.205 8.943 1.00 52.04 H new ATOM 0 HZ3 TRP A 119 -11.667 1.767 7.503 1.00 64.35 H new ATOM 0 HH2 TRP A 119 -10.025 1.810 9.374 1.00 2.20 H new ATOM 1889 N TYR A 120 -10.284 -0.377 0.380 1.00 52.22 N ATOM 1890 CA TYR A 120 -11.225 0.004 -0.686 1.00 33.51 C ATOM 1891 C TYR A 120 -11.469 -1.174 -1.645 1.00 62.35 C ATOM 1892 O TYR A 120 -11.050 -1.143 -2.809 1.00 71.21 O ATOM 1893 CB TYR A 120 -10.774 1.297 -1.402 1.00 3.21 C ATOM 1894 CG TYR A 120 -10.212 2.434 -0.555 1.00 73.34 C ATOM 1895 CD1 TYR A 120 -11.067 3.263 0.200 1.00 13.22 C ATOM 1896 CD2 TYR A 120 -8.828 2.701 -0.581 1.00 2.03 C ATOM 1897 CE1 TYR A 120 -10.544 4.365 0.908 1.00 54.24 C ATOM 1898 CE2 TYR A 120 -8.308 3.805 0.114 1.00 11.01 C ATOM 1899 CZ TYR A 120 -9.164 4.626 0.876 1.00 22.13 C ATOM 1900 OH TYR A 120 -8.675 5.681 1.576 1.00 41.02 O ATOM 0 H TYR A 120 -9.498 -0.944 0.061 1.00 52.22 H new ATOM 0 HA TYR A 120 -12.189 0.238 -0.234 1.00 33.51 H new ATOM 0 HB2 TYR A 120 -10.016 1.023 -2.136 1.00 3.21 H new ATOM 0 HB3 TYR A 120 -11.629 1.686 -1.956 1.00 3.21 H new ATOM 0 HD1 TYR A 120 -12.126 3.053 0.236 1.00 13.22 H new ATOM 0 HD2 TYR A 120 -8.165 2.054 -1.137 1.00 2.03 H new ATOM 0 HE1 TYR A 120 -11.203 5.007 1.474 1.00 54.24 H new ATOM 0 HE2 TYR A 120 -7.252 4.025 0.065 1.00 11.01 H new ATOM 0 HH TYR A 120 -7.719 5.547 1.745 1.00 41.02 H new ATOM 1910 N ASN A 121 -12.079 -2.254 -1.151 1.00 32.54 N ATOM 1911 CA ASN A 121 -12.418 -3.431 -1.951 1.00 74.11 C ATOM 1912 C ASN A 121 -13.721 -3.307 -2.725 1.00 4.11 C ATOM 1913 O ASN A 121 -14.512 -2.392 -2.533 1.00 10.10 O ATOM 1914 CB ASN A 121 -12.474 -4.680 -1.057 1.00 30.11 C ATOM 1915 CG ASN A 121 -11.096 -5.266 -1.091 1.00 31.24 C ATOM 1916 OD1 ASN A 121 -10.705 -5.892 -2.076 1.00 30.44 O ATOM 1917 ND2 ASN A 121 -10.302 -4.903 -0.117 1.00 24.33 N ATOM 0 H ASN A 121 -12.354 -2.336 -0.172 1.00 32.54 H new ATOM 0 HA ASN A 121 -11.625 -3.519 -2.694 1.00 74.11 H new ATOM 0 HB2 ASN A 121 -12.764 -4.420 -0.039 1.00 30.11 H new ATOM 0 HB3 ASN A 121 -13.212 -5.393 -1.426 1.00 30.11 H new ATOM 0 HD21 ASN A 121 -9.310 -5.138 -0.153 1.00 24.33 H new ATOM 0 HD22 ASN A 121 -10.675 -4.385 0.679 1.00 24.33 H new ATOM 1924 N PHE A 122 -13.976 -4.319 -3.553 1.00 45.12 N ATOM 1925 CA PHE A 122 -15.226 -4.611 -4.245 1.00 63.22 C ATOM 1926 C PHE A 122 -16.445 -4.694 -3.322 1.00 3.42 C ATOM 1927 O PHE A 122 -17.577 -4.690 -3.803 1.00 71.44 O ATOM 1928 CB PHE A 122 -15.047 -5.978 -4.943 1.00 3.32 C ATOM 1929 CG PHE A 122 -15.577 -6.102 -6.354 1.00 1.44 C ATOM 1930 CD1 PHE A 122 -14.856 -5.509 -7.402 1.00 65.23 C ATOM 1931 CD2 PHE A 122 -16.715 -6.880 -6.634 1.00 54.25 C ATOM 1932 CE1 PHE A 122 -15.242 -5.734 -8.735 1.00 53.43 C ATOM 1933 CE2 PHE A 122 -17.125 -7.070 -7.967 1.00 52.21 C ATOM 1934 CZ PHE A 122 -16.381 -6.507 -9.017 1.00 33.41 C ATOM 0 H PHE A 122 -13.257 -5.008 -3.773 1.00 45.12 H new ATOM 0 HA PHE A 122 -15.422 -3.793 -4.938 1.00 63.22 H new ATOM 0 HB2 PHE A 122 -13.983 -6.214 -4.959 1.00 3.32 H new ATOM 0 HB3 PHE A 122 -15.533 -6.738 -4.330 1.00 3.32 H new ATOM 0 HD1 PHE A 122 -14.005 -4.880 -7.185 1.00 65.23 H new ATOM 0 HD2 PHE A 122 -17.273 -7.331 -5.827 1.00 54.25 H new ATOM 0 HE1 PHE A 122 -14.663 -5.312 -9.543 1.00 53.43 H new ATOM 0 HE2 PHE A 122 -18.011 -7.648 -8.182 1.00 52.21 H new ATOM 0 HZ PHE A 122 -16.684 -6.668 -10.041 1.00 33.41 H new ATOM 1944 N ASP A 123 -16.234 -4.794 -2.010 1.00 45.35 N ATOM 1945 CA ASP A 123 -17.303 -4.887 -1.031 1.00 12.14 C ATOM 1946 C ASP A 123 -17.695 -3.514 -0.471 1.00 70.31 C ATOM 1947 O ASP A 123 -18.507 -3.457 0.447 1.00 4.02 O ATOM 1948 CB ASP A 123 -16.907 -5.868 0.087 1.00 52.41 C ATOM 1949 CG ASP A 123 -18.135 -6.466 0.775 1.00 65.11 C ATOM 1950 OD1 ASP A 123 -18.930 -7.138 0.070 1.00 14.33 O ATOM 1951 OD2 ASP A 123 -18.271 -6.348 2.012 1.00 21.21 O ATOM 0 H ASP A 123 -15.301 -4.812 -1.597 1.00 45.35 H new ATOM 0 HA ASP A 123 -18.190 -5.274 -1.533 1.00 12.14 H new ATOM 0 HB2 ASP A 123 -16.298 -6.669 -0.331 1.00 52.41 H new ATOM 0 HB3 ASP A 123 -16.292 -5.351 0.824 1.00 52.41 H new ATOM 1956 N LEU A 124 -17.119 -2.410 -0.971 1.00 23.24 N ATOM 1957 CA LEU A 124 -17.194 -1.091 -0.346 1.00 53.31 C ATOM 1958 C LEU A 124 -18.120 -0.173 -1.152 1.00 63.32 C ATOM 1959 O LEU A 124 -17.638 0.465 -2.083 1.00 71.22 O ATOM 1960 CB LEU A 124 -15.781 -0.522 -0.145 1.00 41.45 C ATOM 1961 CG LEU A 124 -15.675 0.872 0.519 1.00 12.11 C ATOM 1962 CD1 LEU A 124 -16.895 1.414 1.276 1.00 23.42 C ATOM 1963 CD2 LEU A 124 -14.538 0.857 1.528 1.00 50.34 C ATOM 0 H LEU A 124 -16.580 -2.415 -1.837 1.00 23.24 H new ATOM 0 HA LEU A 124 -17.637 -1.171 0.647 1.00 53.31 H new ATOM 0 HB2 LEU A 124 -15.213 -1.230 0.459 1.00 41.45 H new ATOM 0 HB3 LEU A 124 -15.294 -0.472 -1.119 1.00 41.45 H new ATOM 0 HG LEU A 124 -15.539 1.529 -0.340 1.00 12.11 H new ATOM 0 HD11 LEU A 124 -16.663 2.398 1.683 1.00 23.42 H new ATOM 0 HD12 LEU A 124 -17.741 1.494 0.593 1.00 23.42 H new ATOM 0 HD13 LEU A 124 -17.149 0.736 2.090 1.00 23.42 H new ATOM 0 HD21 LEU A 124 -14.457 1.836 2.000 1.00 50.34 H new ATOM 0 HD22 LEU A 124 -14.737 0.103 2.289 1.00 50.34 H new ATOM 0 HD23 LEU A 124 -13.603 0.621 1.019 1.00 50.34 H new ATOM 1975 N PRO A 125 -19.442 -0.138 -0.926 1.00 62.44 N ATOM 1976 CA PRO A 125 -20.333 0.721 -1.698 1.00 53.33 C ATOM 1977 C PRO A 125 -19.969 2.200 -1.500 1.00 73.44 C ATOM 1978 O PRO A 125 -19.707 2.635 -0.380 1.00 32.12 O ATOM 1979 CB PRO A 125 -21.733 0.412 -1.166 1.00 32.24 C ATOM 1980 CG PRO A 125 -21.475 -0.001 0.284 1.00 5.14 C ATOM 1981 CD PRO A 125 -20.141 -0.730 0.201 1.00 4.13 C ATOM 0 HA PRO A 125 -20.261 0.538 -2.770 1.00 53.33 H new ATOM 0 HB2 PRO A 125 -22.387 1.282 -1.226 1.00 32.24 H new ATOM 0 HB3 PRO A 125 -22.212 -0.387 -1.733 1.00 32.24 H new ATOM 0 HG2 PRO A 125 -21.422 0.863 0.946 1.00 5.14 H new ATOM 0 HG3 PRO A 125 -22.265 -0.648 0.666 1.00 5.14 H new ATOM 0 HD2 PRO A 125 -19.571 -0.611 1.122 1.00 4.13 H new ATOM 0 HD3 PRO A 125 -20.288 -1.800 0.053 1.00 4.13 H new ATOM 1989 N ILE A 126 -20.055 3.009 -2.565 1.00 52.42 N ATOM 1990 CA ILE A 126 -19.730 4.448 -2.540 1.00 1.21 C ATOM 1991 C ILE A 126 -20.459 5.165 -1.383 1.00 52.04 C ATOM 1992 O ILE A 126 -19.928 6.132 -0.829 1.00 11.24 O ATOM 1993 CB ILE A 126 -20.095 5.110 -3.894 1.00 31.42 C ATOM 1994 CG1 ILE A 126 -19.332 4.470 -5.070 1.00 61.54 C ATOM 1995 CG2 ILE A 126 -19.827 6.627 -3.923 1.00 43.40 C ATOM 1996 CD1 ILE A 126 -20.236 3.668 -5.993 1.00 30.53 C ATOM 0 H ILE A 126 -20.356 2.681 -3.483 1.00 52.42 H new ATOM 0 HA ILE A 126 -18.657 4.545 -2.377 1.00 1.21 H new ATOM 0 HB ILE A 126 -21.166 4.941 -4.002 1.00 31.42 H new ATOM 0 HG12 ILE A 126 -18.837 5.253 -5.644 1.00 61.54 H new ATOM 0 HG13 ILE A 126 -18.551 3.819 -4.679 1.00 61.54 H new ATOM 0 HG21 ILE A 126 -20.104 7.027 -4.898 1.00 43.40 H new ATOM 0 HG22 ILE A 126 -20.419 7.116 -3.149 1.00 43.40 H new ATOM 0 HG23 ILE A 126 -18.768 6.813 -3.742 1.00 43.40 H new ATOM 0 HD11 ILE A 126 -19.643 3.241 -6.802 1.00 30.53 H new ATOM 0 HD12 ILE A 126 -20.712 2.865 -5.429 1.00 30.53 H new ATOM 0 HD13 ILE A 126 -21.002 4.322 -6.410 1.00 30.53 H new ATOM 2008 N ASN A 127 -21.663 4.689 -1.029 1.00 65.44 N ATOM 2009 CA ASN A 127 -22.542 5.254 -0.006 1.00 63.11 C ATOM 2010 C ASN A 127 -21.903 5.301 1.393 1.00 51.20 C ATOM 2011 O ASN A 127 -22.344 6.108 2.208 1.00 1.01 O ATOM 2012 CB ASN A 127 -23.901 4.509 0.009 1.00 31.34 C ATOM 2013 CG ASN A 127 -24.186 3.744 1.305 1.00 73.54 C ATOM 2014 OD1 ASN A 127 -24.779 4.284 2.233 1.00 11.15 O ATOM 2015 ND2 ASN A 127 -23.826 2.475 1.394 1.00 2.23 N ATOM 0 H ASN A 127 -22.064 3.862 -1.471 1.00 65.44 H new ATOM 0 HA ASN A 127 -22.716 6.295 -0.279 1.00 63.11 H new ATOM 0 HB2 ASN A 127 -24.700 5.232 -0.156 1.00 31.34 H new ATOM 0 HB3 ASN A 127 -23.927 3.809 -0.826 1.00 31.34 H new ATOM 0 HD21 ASN A 127 -24.041 1.942 2.236 1.00 2.23 H new ATOM 0 HD22 ASN A 127 -23.333 2.029 0.620 1.00 2.23 H new ATOM 2022 N GLU A 128 -20.880 4.486 1.670 1.00 52.03 N ATOM 2023 CA GLU A 128 -20.161 4.447 2.949 1.00 71.30 C ATOM 2024 C GLU A 128 -18.688 4.835 2.777 1.00 61.51 C ATOM 2025 O GLU A 128 -17.942 4.935 3.745 1.00 30.33 O ATOM 2026 CB GLU A 128 -20.303 3.048 3.577 1.00 4.02 C ATOM 2027 CG GLU A 128 -21.586 2.910 4.405 1.00 31.34 C ATOM 2028 CD GLU A 128 -21.479 3.634 5.753 1.00 42.04 C ATOM 2029 OE1 GLU A 128 -21.838 4.830 5.846 1.00 10.43 O ATOM 2030 OE2 GLU A 128 -21.110 2.984 6.761 1.00 32.41 O ATOM 0 H GLU A 128 -20.518 3.816 0.991 1.00 52.03 H new ATOM 0 HA GLU A 128 -20.604 5.182 3.622 1.00 71.30 H new ATOM 0 HB2 GLU A 128 -20.300 2.296 2.788 1.00 4.02 H new ATOM 0 HB3 GLU A 128 -19.440 2.848 4.212 1.00 4.02 H new ATOM 0 HG2 GLU A 128 -22.427 3.315 3.842 1.00 31.34 H new ATOM 0 HG3 GLU A 128 -21.796 1.854 4.576 1.00 31.34 H new ATOM 2037 N LEU A 129 -18.235 5.127 1.558 1.00 25.42 N ATOM 2038 CA LEU A 129 -16.834 5.465 1.324 1.00 21.31 C ATOM 2039 C LEU A 129 -16.422 6.728 2.091 1.00 54.31 C ATOM 2040 O LEU A 129 -15.285 6.859 2.537 1.00 33.13 O ATOM 2041 CB LEU A 129 -16.641 5.618 -0.183 1.00 13.04 C ATOM 2042 CG LEU A 129 -15.204 5.931 -0.615 1.00 70.34 C ATOM 2043 CD1 LEU A 129 -14.171 4.925 -0.096 1.00 72.53 C ATOM 2044 CD2 LEU A 129 -15.159 5.949 -2.144 1.00 44.30 C ATOM 0 H LEU A 129 -18.817 5.136 0.720 1.00 25.42 H new ATOM 0 HA LEU A 129 -16.187 4.672 1.698 1.00 21.31 H new ATOM 0 HB2 LEU A 129 -16.961 4.698 -0.672 1.00 13.04 H new ATOM 0 HB3 LEU A 129 -17.295 6.413 -0.541 1.00 13.04 H new ATOM 0 HG LEU A 129 -14.938 6.896 -0.184 1.00 70.34 H new ATOM 0 HD11 LEU A 129 -13.178 5.212 -0.442 1.00 72.53 H new ATOM 0 HD12 LEU A 129 -14.187 4.917 0.994 1.00 72.53 H new ATOM 0 HD13 LEU A 129 -14.412 3.930 -0.470 1.00 72.53 H new ATOM 0 HD21 LEU A 129 -14.144 6.170 -2.476 1.00 44.30 H new ATOM 0 HD22 LEU A 129 -15.462 4.975 -2.528 1.00 44.30 H new ATOM 0 HD23 LEU A 129 -15.838 6.715 -2.519 1.00 44.30 H new ATOM 2056 N GLU A 130 -17.364 7.648 2.277 1.00 71.40 N ATOM 2057 CA GLU A 130 -17.178 8.893 3.028 1.00 44.21 C ATOM 2058 C GLU A 130 -16.960 8.658 4.533 1.00 72.32 C ATOM 2059 O GLU A 130 -16.470 9.555 5.222 1.00 64.10 O ATOM 2060 CB GLU A 130 -18.400 9.804 2.819 1.00 11.41 C ATOM 2061 CG GLU A 130 -18.683 10.025 1.325 1.00 22.15 C ATOM 2062 CD GLU A 130 -19.482 11.281 0.964 1.00 21.31 C ATOM 2063 OE1 GLU A 130 -19.190 12.395 1.461 1.00 65.10 O ATOM 2064 OE2 GLU A 130 -20.358 11.152 0.074 1.00 64.22 O ATOM 0 H GLU A 130 -18.306 7.548 1.900 1.00 71.40 H new ATOM 0 HA GLU A 130 -16.275 9.368 2.646 1.00 44.21 H new ATOM 0 HB2 GLU A 130 -19.274 9.359 3.295 1.00 11.41 H new ATOM 0 HB3 GLU A 130 -18.227 10.765 3.305 1.00 11.41 H new ATOM 0 HG2 GLU A 130 -17.730 10.063 0.798 1.00 22.15 H new ATOM 0 HG3 GLU A 130 -19.222 9.156 0.947 1.00 22.15 H new ATOM 2071 N GLU A 131 -17.313 7.473 5.039 1.00 21.41 N ATOM 2072 CA GLU A 131 -16.918 6.944 6.343 1.00 53.41 C ATOM 2073 C GLU A 131 -15.536 6.321 6.231 1.00 34.51 C ATOM 2074 O GLU A 131 -14.678 6.614 7.065 1.00 12.34 O ATOM 2075 CB GLU A 131 -18.001 5.947 6.844 1.00 33.51 C ATOM 2076 CG GLU A 131 -17.687 4.984 8.010 1.00 12.21 C ATOM 2077 CD GLU A 131 -16.558 3.955 7.774 1.00 13.33 C ATOM 2078 OE1 GLU A 131 -16.514 3.264 6.731 1.00 52.33 O ATOM 2079 OE2 GLU A 131 -15.657 3.890 8.642 1.00 11.12 O ATOM 0 H GLU A 131 -17.911 6.827 4.524 1.00 21.41 H new ATOM 0 HA GLU A 131 -16.852 7.739 7.086 1.00 53.41 H new ATOM 0 HB2 GLU A 131 -18.872 6.534 7.135 1.00 33.51 H new ATOM 0 HB3 GLU A 131 -18.298 5.337 5.991 1.00 33.51 H new ATOM 0 HG2 GLU A 131 -17.426 5.581 8.884 1.00 12.21 H new ATOM 0 HG3 GLU A 131 -18.598 4.439 8.256 1.00 12.21 H new ATOM 2086 N THR A 132 -15.295 5.474 5.233 1.00 52.10 N ATOM 2087 CA THR A 132 -14.115 4.628 5.258 1.00 44.44 C ATOM 2088 C THR A 132 -12.853 5.471 5.103 1.00 62.20 C ATOM 2089 O THR A 132 -11.841 5.218 5.754 1.00 65.30 O ATOM 2090 CB THR A 132 -14.239 3.560 4.172 1.00 63.53 C ATOM 2091 OG1 THR A 132 -15.450 2.842 4.299 1.00 13.31 O ATOM 2092 CG2 THR A 132 -13.043 2.609 4.246 1.00 53.01 C ATOM 0 H THR A 132 -15.891 5.359 4.413 1.00 52.10 H new ATOM 0 HA THR A 132 -14.038 4.122 6.220 1.00 44.44 H new ATOM 0 HB THR A 132 -14.246 4.053 3.200 1.00 63.53 H new ATOM 0 HG1 THR A 132 -15.708 2.800 5.244 1.00 13.31 H new ATOM 0 HG21 THR A 132 -13.134 1.849 3.470 1.00 53.01 H new ATOM 0 HG22 THR A 132 -12.121 3.171 4.096 1.00 53.01 H new ATOM 0 HG23 THR A 132 -13.020 2.129 5.224 1.00 53.01 H new ATOM 2100 N ILE A 133 -12.917 6.526 4.290 1.00 30.31 N ATOM 2101 CA ILE A 133 -11.802 7.441 4.123 1.00 73.31 C ATOM 2102 C ILE A 133 -11.468 8.118 5.463 1.00 65.30 C ATOM 2103 O ILE A 133 -10.293 8.431 5.682 1.00 53.30 O ATOM 2104 CB ILE A 133 -12.118 8.430 2.982 1.00 45.31 C ATOM 2105 CG1 ILE A 133 -12.299 7.675 1.644 1.00 5.22 C ATOM 2106 CG2 ILE A 133 -10.959 9.415 2.788 1.00 25.51 C ATOM 2107 CD1 ILE A 133 -12.863 8.554 0.529 1.00 43.21 C ATOM 0 H ILE A 133 -13.739 6.764 3.735 1.00 30.31 H new ATOM 0 HA ILE A 133 -10.901 6.903 3.829 1.00 73.31 H new ATOM 0 HB ILE A 133 -13.032 8.957 3.255 1.00 45.31 H new ATOM 0 HG12 ILE A 133 -11.337 7.272 1.329 1.00 5.22 H new ATOM 0 HG13 ILE A 133 -12.964 6.826 1.800 1.00 5.22 H new ATOM 0 HG21 ILE A 133 -11.199 10.105 1.979 1.00 25.51 H new ATOM 0 HG22 ILE A 133 -10.801 9.976 3.709 1.00 25.51 H new ATOM 0 HG23 ILE A 133 -10.052 8.865 2.538 1.00 25.51 H new ATOM 0 HD11 ILE A 133 -12.966 7.965 -0.382 1.00 43.21 H new ATOM 0 HD12 ILE A 133 -13.840 8.936 0.826 1.00 43.21 H new ATOM 0 HD13 ILE A 133 -12.187 9.389 0.347 1.00 43.21 H new ATOM 2119 N GLN A 134 -12.452 8.316 6.353 1.00 71.42 N ATOM 2120 CA GLN A 134 -12.189 8.880 7.674 1.00 25.12 C ATOM 2121 C GLN A 134 -11.450 7.838 8.527 1.00 10.21 C ATOM 2122 O GLN A 134 -10.452 8.156 9.174 1.00 71.33 O ATOM 2123 CB GLN A 134 -13.495 9.353 8.347 1.00 63.40 C ATOM 2124 CG GLN A 134 -14.330 10.359 7.527 1.00 14.34 C ATOM 2125 CD GLN A 134 -14.116 11.803 7.971 1.00 11.25 C ATOM 2126 OE1 GLN A 134 -13.293 12.522 7.411 1.00 41.12 O ATOM 2127 NE2 GLN A 134 -14.846 12.268 8.973 1.00 34.23 N ATOM 0 H GLN A 134 -13.432 8.093 6.178 1.00 71.42 H new ATOM 0 HA GLN A 134 -11.555 9.761 7.573 1.00 25.12 H new ATOM 0 HB2 GLN A 134 -14.113 8.480 8.559 1.00 63.40 H new ATOM 0 HB3 GLN A 134 -13.247 9.808 9.306 1.00 63.40 H new ATOM 0 HG2 GLN A 134 -14.071 10.265 6.472 1.00 14.34 H new ATOM 0 HG3 GLN A 134 -15.387 10.108 7.619 1.00 14.34 H new ATOM 0 HE21 GLN A 134 -15.527 11.663 9.432 1.00 34.23 H new ATOM 0 HE22 GLN A 134 -14.727 13.231 9.286 1.00 34.23 H new ATOM 2136 N ALA A 135 -11.912 6.582 8.506 1.00 70.32 N ATOM 2137 CA ALA A 135 -11.334 5.502 9.310 1.00 65.30 C ATOM 2138 C ALA A 135 -9.886 5.211 8.907 1.00 33.23 C ATOM 2139 O ALA A 135 -9.069 4.885 9.764 1.00 50.03 O ATOM 2140 CB ALA A 135 -12.168 4.227 9.179 1.00 25.42 C ATOM 0 H ALA A 135 -12.699 6.287 7.929 1.00 70.32 H new ATOM 0 HA ALA A 135 -11.341 5.834 10.348 1.00 65.30 H new ATOM 0 HB1 ALA A 135 -11.722 3.437 9.783 1.00 25.42 H new ATOM 0 HB2 ALA A 135 -13.184 4.419 9.525 1.00 25.42 H new ATOM 0 HB3 ALA A 135 -12.193 3.915 8.135 1.00 25.42 H new ATOM 2146 N VAL A 136 -9.537 5.386 7.634 1.00 64.20 N ATOM 2147 CA VAL A 136 -8.162 5.250 7.169 1.00 22.35 C ATOM 2148 C VAL A 136 -7.222 6.200 7.919 1.00 61.22 C ATOM 2149 O VAL A 136 -6.053 5.876 8.106 1.00 52.32 O ATOM 2150 CB VAL A 136 -8.148 5.468 5.641 1.00 65.10 C ATOM 2151 CG1 VAL A 136 -6.755 5.702 5.053 1.00 53.12 C ATOM 2152 CG2 VAL A 136 -8.732 4.254 4.915 1.00 31.14 C ATOM 0 H VAL A 136 -10.201 5.626 6.898 1.00 64.20 H new ATOM 0 HA VAL A 136 -7.786 4.249 7.382 1.00 22.35 H new ATOM 0 HB VAL A 136 -8.746 6.367 5.490 1.00 65.10 H new ATOM 0 HG11 VAL A 136 -6.834 5.846 3.975 1.00 53.12 H new ATOM 0 HG12 VAL A 136 -6.313 6.589 5.506 1.00 53.12 H new ATOM 0 HG13 VAL A 136 -6.124 4.837 5.258 1.00 53.12 H new ATOM 0 HG21 VAL A 136 -8.712 4.429 3.839 1.00 31.14 H new ATOM 0 HG22 VAL A 136 -8.139 3.370 5.150 1.00 31.14 H new ATOM 0 HG23 VAL A 136 -9.761 4.097 5.238 1.00 31.14 H new ATOM 2162 N GLN A 137 -7.677 7.365 8.382 1.00 31.41 N ATOM 2163 CA GLN A 137 -6.778 8.268 9.085 1.00 45.12 C ATOM 2164 C GLN A 137 -6.756 7.984 10.584 1.00 71.12 C ATOM 2165 O GLN A 137 -5.796 8.403 11.229 1.00 54.40 O ATOM 2166 CB GLN A 137 -7.103 9.723 8.731 1.00 43.10 C ATOM 2167 CG GLN A 137 -6.660 9.995 7.283 1.00 74.42 C ATOM 2168 CD GLN A 137 -7.124 11.345 6.753 1.00 43.01 C ATOM 2169 OE1 GLN A 137 -7.093 12.357 7.451 1.00 54.40 O ATOM 2170 NE2 GLN A 137 -7.535 11.383 5.500 1.00 74.42 N ATOM 0 H GLN A 137 -8.637 7.696 8.285 1.00 31.41 H new ATOM 0 HA GLN A 137 -5.757 8.089 8.749 1.00 45.12 H new ATOM 0 HB2 GLN A 137 -8.172 9.907 8.839 1.00 43.10 H new ATOM 0 HB3 GLN A 137 -6.592 10.400 9.415 1.00 43.10 H new ATOM 0 HG2 GLN A 137 -5.573 9.946 7.228 1.00 74.42 H new ATOM 0 HG3 GLN A 137 -7.048 9.207 6.638 1.00 74.42 H new ATOM 0 HE21 GLN A 137 -7.551 10.529 4.942 1.00 74.42 H new ATOM 0 HE22 GLN A 137 -7.837 12.266 5.089 1.00 74.42 H new ATOM 2179 N GLU A 138 -7.707 7.209 11.121 1.00 44.33 N ATOM 2180 CA GLU A 138 -7.679 6.758 12.505 1.00 23.23 C ATOM 2181 C GLU A 138 -6.424 5.919 12.741 1.00 74.42 C ATOM 2182 O GLU A 138 -5.602 6.247 13.601 1.00 5.04 O ATOM 2183 CB GLU A 138 -8.939 5.949 12.866 1.00 5.05 C ATOM 2184 CG GLU A 138 -10.130 6.852 13.208 1.00 31.13 C ATOM 2185 CD GLU A 138 -11.307 6.089 13.818 1.00 31.11 C ATOM 2186 OE1 GLU A 138 -11.153 5.622 14.974 1.00 62.24 O ATOM 2187 OE2 GLU A 138 -12.413 6.059 13.226 1.00 62.32 O ATOM 0 H GLU A 138 -8.519 6.879 10.599 1.00 44.33 H new ATOM 0 HA GLU A 138 -7.661 7.636 13.150 1.00 23.23 H new ATOM 0 HB2 GLU A 138 -9.205 5.302 12.030 1.00 5.05 H new ATOM 0 HB3 GLU A 138 -8.721 5.301 13.715 1.00 5.05 H new ATOM 0 HG2 GLU A 138 -9.804 7.624 13.906 1.00 31.13 H new ATOM 0 HG3 GLU A 138 -10.464 7.360 12.304 1.00 31.13 H new ATOM 2194 N GLU A 139 -6.265 4.837 11.979 1.00 70.32 N ATOM 2195 CA GLU A 139 -5.048 4.017 12.058 1.00 25.22 C ATOM 2196 C GLU A 139 -3.784 4.858 11.807 1.00 65.40 C ATOM 2197 O GLU A 139 -2.743 4.634 12.428 1.00 3.04 O ATOM 2198 CB GLU A 139 -5.050 2.754 11.180 1.00 44.42 C ATOM 2199 CG GLU A 139 -5.726 3.055 9.858 1.00 34.30 C ATOM 2200 CD GLU A 139 -5.200 2.227 8.672 1.00 30.21 C ATOM 2201 OE1 GLU A 139 -5.163 0.974 8.744 1.00 51.22 O ATOM 2202 OE2 GLU A 139 -4.799 2.853 7.668 1.00 61.22 O ATOM 0 H GLU A 139 -6.955 4.507 11.304 1.00 70.32 H new ATOM 0 HA GLU A 139 -5.038 3.648 13.084 1.00 25.22 H new ATOM 0 HB2 GLU A 139 -4.028 2.416 11.009 1.00 44.42 H new ATOM 0 HB3 GLU A 139 -5.572 1.945 11.691 1.00 44.42 H new ATOM 0 HG2 GLU A 139 -6.796 2.878 9.963 1.00 34.30 H new ATOM 0 HG3 GLU A 139 -5.599 4.114 9.631 1.00 34.30 H new ATOM 2209 N ASN A 140 -3.856 5.834 10.896 1.00 25.33 N ATOM 2210 CA ASN A 140 -2.667 6.572 10.470 1.00 73.43 C ATOM 2211 C ASN A 140 -2.218 7.512 11.567 1.00 61.50 C ATOM 2212 O ASN A 140 -1.018 7.571 11.805 1.00 23.53 O ATOM 2213 CB ASN A 140 -2.888 7.322 9.148 1.00 50.23 C ATOM 2214 CG ASN A 140 -2.919 6.408 7.924 1.00 53.23 C ATOM 2215 OD1 ASN A 140 -3.292 5.154 8.095 1.00 34.44 O flip ATOM 2216 ND2 ASN A 140 -2.606 6.835 6.819 1.00 65.11 N flip ATOM 0 H ASN A 140 -4.721 6.129 10.443 1.00 25.33 H new ATOM 0 HA ASN A 140 -1.876 5.846 10.283 1.00 73.43 H new ATOM 0 HB2 ASN A 140 -3.828 7.872 9.204 1.00 50.23 H new ATOM 0 HB3 ASN A 140 -2.095 8.059 9.021 1.00 50.23 H new ATOM 0 HD21 ASN A 140 -2.321 7.808 6.710 1.00 65.11 H new ATOM 0 HD22 ASN A 140 -2.631 6.217 6.008 1.00 65.11 H new ATOM 2223 N LYS A 141 -3.124 8.216 12.264 1.00 3.14 N ATOM 2224 CA LYS A 141 -2.692 9.070 13.373 1.00 1.21 C ATOM 2225 C LYS A 141 -2.050 8.241 14.479 1.00 10.21 C ATOM 2226 O LYS A 141 -1.073 8.672 15.088 1.00 72.30 O ATOM 2227 CB LYS A 141 -3.835 9.933 13.915 1.00 54.33 C ATOM 2228 CG LYS A 141 -5.010 9.151 14.514 1.00 13.24 C ATOM 2229 CD LYS A 141 -5.927 10.053 15.325 1.00 24.43 C ATOM 2230 CE LYS A 141 -6.730 9.241 16.350 1.00 31.53 C ATOM 2231 NZ LYS A 141 -8.083 8.882 15.888 1.00 45.32 N ATOM 0 H LYS A 141 -4.128 8.211 12.085 1.00 3.14 H new ATOM 0 HA LYS A 141 -1.939 9.754 12.981 1.00 1.21 H new ATOM 0 HB2 LYS A 141 -3.436 10.600 14.679 1.00 54.33 H new ATOM 0 HB3 LYS A 141 -4.210 10.561 13.107 1.00 54.33 H new ATOM 0 HG2 LYS A 141 -5.579 8.678 13.714 1.00 13.24 H new ATOM 0 HG3 LYS A 141 -4.629 8.352 15.150 1.00 13.24 H new ATOM 0 HD2 LYS A 141 -5.336 10.811 15.839 1.00 24.43 H new ATOM 0 HD3 LYS A 141 -6.609 10.579 14.657 1.00 24.43 H new ATOM 0 HE2 LYS A 141 -6.182 8.329 16.588 1.00 31.53 H new ATOM 0 HE3 LYS A 141 -6.811 9.815 17.273 1.00 31.53 H new ATOM 0 HZ1 LYS A 141 -8.679 8.648 16.708 1.00 45.32 H new ATOM 0 HZ2 LYS A 141 -8.499 9.685 15.375 1.00 45.32 H new ATOM 0 HZ3 LYS A 141 -8.027 8.059 15.255 1.00 45.32 H new ATOM 2245 N ALA A 142 -2.620 7.067 14.737 1.00 44.44 N ATOM 2246 CA ALA A 142 -2.146 6.164 15.762 1.00 3.14 C ATOM 2247 C ALA A 142 -0.754 5.626 15.414 1.00 13.02 C ATOM 2248 O ALA A 142 0.049 5.396 16.313 1.00 71.31 O ATOM 2249 CB ALA A 142 -3.156 5.027 15.928 1.00 72.22 C ATOM 0 H ALA A 142 -3.434 6.719 14.230 1.00 44.44 H new ATOM 0 HA ALA A 142 -2.055 6.700 16.707 1.00 3.14 H new ATOM 0 HB1 ALA A 142 -2.807 4.340 16.699 1.00 72.22 H new ATOM 0 HB2 ALA A 142 -4.123 5.439 16.219 1.00 72.22 H new ATOM 0 HB3 ALA A 142 -3.259 4.491 14.984 1.00 72.22 H new ATOM 2255 N PHE A 143 -0.483 5.409 14.126 1.00 62.34 N ATOM 2256 CA PHE A 143 0.814 4.986 13.629 1.00 14.34 C ATOM 2257 C PHE A 143 1.830 6.120 13.791 1.00 72.14 C ATOM 2258 O PHE A 143 2.848 5.944 14.458 1.00 43.44 O ATOM 2259 CB PHE A 143 0.664 4.535 12.171 1.00 62.54 C ATOM 2260 CG PHE A 143 1.942 4.025 11.537 1.00 2.44 C ATOM 2261 CD1 PHE A 143 2.911 4.930 11.061 1.00 63.13 C ATOM 2262 CD2 PHE A 143 2.165 2.643 11.420 1.00 31.31 C ATOM 2263 CE1 PHE A 143 4.099 4.456 10.474 1.00 71.24 C ATOM 2264 CE2 PHE A 143 3.353 2.169 10.845 1.00 23.44 C ATOM 2265 CZ PHE A 143 4.321 3.070 10.376 1.00 70.13 C ATOM 0 H PHE A 143 -1.178 5.527 13.389 1.00 62.34 H new ATOM 0 HA PHE A 143 1.189 4.140 14.205 1.00 14.34 H new ATOM 0 HB2 PHE A 143 -0.090 3.749 12.123 1.00 62.54 H new ATOM 0 HB3 PHE A 143 0.290 5.372 11.582 1.00 62.54 H new ATOM 0 HD1 PHE A 143 2.741 5.993 11.147 1.00 63.13 H new ATOM 0 HD2 PHE A 143 1.421 1.945 11.773 1.00 31.31 H new ATOM 0 HE1 PHE A 143 4.836 5.152 10.101 1.00 71.24 H new ATOM 0 HE2 PHE A 143 3.524 1.106 10.763 1.00 23.44 H new ATOM 0 HZ PHE A 143 5.237 2.700 9.940 1.00 70.13 H new ATOM 2275 N GLU A 144 1.588 7.283 13.167 1.00 33.45 N ATOM 2276 CA GLU A 144 2.610 8.329 13.082 1.00 54.43 C ATOM 2277 C GLU A 144 2.978 8.904 14.449 1.00 11.41 C ATOM 2278 O GLU A 144 4.094 9.388 14.622 1.00 1.45 O ATOM 2279 CB GLU A 144 2.245 9.438 12.093 1.00 62.34 C ATOM 2280 CG GLU A 144 0.927 10.141 12.405 1.00 44.11 C ATOM 2281 CD GLU A 144 1.042 11.661 12.243 1.00 72.33 C ATOM 2282 OE1 GLU A 144 1.330 12.109 11.110 1.00 23.55 O ATOM 2283 OE2 GLU A 144 0.899 12.430 13.226 1.00 45.02 O ATOM 0 H GLU A 144 0.702 7.518 12.719 1.00 33.45 H new ATOM 0 HA GLU A 144 3.499 7.834 12.690 1.00 54.43 H new ATOM 0 HB2 GLU A 144 3.045 10.178 12.081 1.00 62.34 H new ATOM 0 HB3 GLU A 144 2.189 9.013 11.091 1.00 62.34 H new ATOM 0 HG2 GLU A 144 0.148 9.763 11.744 1.00 44.11 H new ATOM 0 HG3 GLU A 144 0.622 9.906 13.425 1.00 44.11 H new ATOM 2290 N GLU A 145 2.096 8.775 15.442 1.00 32.21 N ATOM 2291 CA GLU A 145 2.344 9.187 16.818 1.00 61.22 C ATOM 2292 C GLU A 145 3.572 8.466 17.391 1.00 1.04 C ATOM 2293 O GLU A 145 4.274 9.022 18.241 1.00 1.11 O ATOM 2294 CB GLU A 145 1.075 8.929 17.638 1.00 3.04 C ATOM 2295 CG GLU A 145 1.149 9.459 19.079 1.00 30.45 C ATOM 2296 CD GLU A 145 -0.128 9.204 19.893 1.00 25.34 C ATOM 2297 OE1 GLU A 145 -1.251 9.352 19.353 1.00 25.23 O ATOM 2298 OE2 GLU A 145 0.012 8.858 21.097 1.00 43.43 O ATOM 0 H GLU A 145 1.169 8.371 15.305 1.00 32.21 H new ATOM 0 HA GLU A 145 2.573 10.252 16.859 1.00 61.22 H new ATOM 0 HB2 GLU A 145 0.227 9.392 17.133 1.00 3.04 H new ATOM 0 HB3 GLU A 145 0.883 7.856 17.665 1.00 3.04 H new ATOM 0 HG2 GLU A 145 1.993 8.992 19.586 1.00 30.45 H new ATOM 0 HG3 GLU A 145 1.346 10.531 19.054 1.00 30.45 H new ATOM 2305 N LEU A 146 3.869 7.262 16.889 1.00 44.33 N ATOM 2306 CA LEU A 146 4.915 6.376 17.388 1.00 62.42 C ATOM 2307 C LEU A 146 6.015 6.076 16.373 1.00 3.12 C ATOM 2308 O LEU A 146 6.984 5.421 16.759 1.00 51.21 O ATOM 2309 CB LEU A 146 4.287 5.052 17.873 1.00 23.15 C ATOM 2310 CG LEU A 146 3.562 5.091 19.230 1.00 32.52 C ATOM 2311 CD1 LEU A 146 4.337 5.869 20.293 1.00 30.43 C ATOM 2312 CD2 LEU A 146 2.134 5.632 19.147 1.00 1.05 C ATOM 0 H LEU A 146 3.366 6.868 16.094 1.00 44.33 H new ATOM 0 HA LEU A 146 5.394 6.907 18.211 1.00 62.42 H new ATOM 0 HB2 LEU A 146 3.578 4.714 17.117 1.00 23.15 H new ATOM 0 HB3 LEU A 146 5.075 4.301 17.929 1.00 23.15 H new ATOM 0 HG LEU A 146 3.507 4.045 19.530 1.00 32.52 H new ATOM 0 HD11 LEU A 146 3.778 5.863 21.229 1.00 30.43 H new ATOM 0 HD12 LEU A 146 5.310 5.402 20.449 1.00 30.43 H new ATOM 0 HD13 LEU A 146 4.477 6.898 19.961 1.00 30.43 H new ATOM 0 HD21 LEU A 146 1.686 5.630 20.141 1.00 1.05 H new ATOM 0 HD22 LEU A 146 2.153 6.651 18.759 1.00 1.05 H new ATOM 0 HD23 LEU A 146 1.544 5.001 18.482 1.00 1.05 H new ATOM 2324 N HIS A 147 5.913 6.538 15.129 1.00 24.45 N ATOM 2325 CA HIS A 147 6.837 6.189 14.041 1.00 45.24 C ATOM 2326 C HIS A 147 7.467 7.448 13.408 1.00 31.33 C ATOM 2327 O HIS A 147 7.036 7.875 12.335 1.00 70.22 O ATOM 2328 CB HIS A 147 6.138 5.276 13.023 1.00 73.31 C ATOM 2329 CG HIS A 147 5.996 3.849 13.503 1.00 1.44 C ATOM 2330 ND1 HIS A 147 6.990 2.895 13.473 1.00 3.42 N ATOM 2331 CD2 HIS A 147 4.886 3.268 14.061 1.00 44.21 C ATOM 2332 CE1 HIS A 147 6.487 1.761 13.984 1.00 24.50 C ATOM 2333 NE2 HIS A 147 5.209 1.938 14.360 1.00 42.25 N ATOM 0 H HIS A 147 5.174 7.178 14.839 1.00 24.45 H new ATOM 0 HA HIS A 147 7.672 5.622 14.452 1.00 45.24 H new ATOM 0 HB2 HIS A 147 5.149 5.678 12.802 1.00 73.31 H new ATOM 0 HB3 HIS A 147 6.701 5.284 12.090 1.00 73.31 H new ATOM 0 HD2 HIS A 147 3.935 3.749 14.238 1.00 44.21 H new ATOM 0 HE1 HIS A 147 7.033 0.834 14.080 1.00 24.50 H new ATOM 0 HE2 HIS A 147 4.595 1.241 14.781 1.00 42.25 H new ATOM 2341 N PRO A 148 8.475 8.053 14.062 1.00 31.21 N ATOM 2342 CA PRO A 148 9.120 9.297 13.645 1.00 61.44 C ATOM 2343 C PRO A 148 10.183 9.127 12.559 1.00 41.12 C ATOM 2344 O PRO A 148 10.309 10.053 11.728 1.00 25.34 O ATOM 2345 CB PRO A 148 9.763 9.851 14.915 1.00 52.04 C ATOM 2346 CG PRO A 148 10.107 8.592 15.703 1.00 12.11 C ATOM 2347 CD PRO A 148 8.935 7.677 15.387 1.00 24.22 C ATOM 0 HA PRO A 148 8.377 9.957 13.197 1.00 61.44 H new ATOM 0 HB2 PRO A 148 10.651 10.443 14.693 1.00 52.04 H new ATOM 0 HB3 PRO A 148 9.079 10.497 15.465 1.00 52.04 H new ATOM 0 HG2 PRO A 148 11.056 8.161 15.385 1.00 12.11 H new ATOM 0 HG3 PRO A 148 10.190 8.792 16.771 1.00 12.11 H new ATOM 0 HD2 PRO A 148 9.240 6.631 15.411 1.00 24.22 H new ATOM 0 HD3 PRO A 148 8.140 7.794 16.123 1.00 24.22 H new