USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1131 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 18 SER OG : rot -81:sc= -0.573 USER MOD Set 1.2: A 40 TYR OH : rot -174:sc= 0.806 USER MOD Set 1.3: A 71 THR OG1 : rot -130:sc= -0.609 USER MOD Set 1.4: A 74 ASN : amide:sc= -0.455 X(o=-0.83,f=-0.45) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0535 (180deg=-0.248) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0955 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 20 SER OG : rot -18:sc= 1.09 USER MOD Single : A 26 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.3) USER MOD Single : A 35 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.092) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.567 F(o=-2.8,f=-0.57) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 43 SER OG : rot 77:sc= 1.1 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -159:sc= -0.141 (180deg=-0.664) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.015) USER MOD Single : A 52 THR OG1 : rot -80:sc= 1.53 USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00579 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0947 USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 63 MET CE :methyl -174:sc= -0.764 (180deg=-0.897) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc=-0.00121 (180deg=-0.0362) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0.499 (180deg=0.0736) USER MOD Single : A 83 GLN : amide:sc= 0.00224 X(o=0.0022,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.8!) USER MOD Single : A 90 SER OG : rot -85:sc= 0.838 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.196 K(o=-0.2,f=-2!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A1001 MET CE :methyl 138:sc= -1.29 (180deg=-2.2!) USER MOD Single : A1002 THR OG1 : rot -77:sc= 0.153 USER MOD Single : A1003 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A1006 THR OG1 : rot -75:sc= 0.532 USER MOD Single : A1010 THR OG1 : rot 74:sc= 0.908 USER MOD Single : A1014 ASN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A1018 LYS NZ :NH3+ 151:sc= -0.503 (180deg=-1.67!) USER MOD Single : A1019 MET CE :methyl 144:sc= -3.74! (180deg=-3.99!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.476 -7.108 25.209 1.00 42.30 N ATOM 2 CA MET A 1 5.745 -7.194 23.749 1.00 73.02 C ATOM 3 C MET A 1 4.705 -6.383 22.950 1.00 43.42 C ATOM 4 O MET A 1 4.470 -6.667 21.776 1.00 52.12 O ATOM 5 CB MET A 1 5.784 -8.687 23.279 1.00 64.34 C ATOM 6 CG MET A 1 4.457 -9.463 23.387 1.00 60.43 C ATOM 7 SD MET A 1 4.561 -11.114 22.647 1.00 53.12 S ATOM 8 CE MET A 1 2.855 -11.673 22.743 1.00 14.23 C ATOM 0 H1 MET A 1 6.040 -7.825 25.709 1.00 42.30 H new ATOM 0 H2 MET A 1 5.735 -6.162 25.555 1.00 42.30 H new ATOM 0 H3 MET A 1 4.465 -7.277 25.386 1.00 42.30 H new ATOM 0 HA MET A 1 6.725 -6.758 23.556 1.00 73.02 H new ATOM 0 HB2 MET A 1 6.113 -8.712 22.240 1.00 64.34 H new ATOM 0 HB3 MET A 1 6.538 -9.212 23.865 1.00 64.34 H new ATOM 0 HG2 MET A 1 4.177 -9.555 24.436 1.00 60.43 H new ATOM 0 HG3 MET A 1 3.667 -8.896 22.895 1.00 60.43 H new ATOM 0 HE1 MET A 1 2.776 -12.675 22.322 1.00 14.23 H new ATOM 0 HE2 MET A 1 2.536 -11.691 23.785 1.00 14.23 H new ATOM 0 HE3 MET A 1 2.217 -10.992 22.180 1.00 14.23 H new ATOM 20 N THR A 2 4.121 -5.350 23.600 1.00 21.22 N ATOM 21 CA THR A 2 3.086 -4.469 23.003 1.00 14.22 C ATOM 22 C THR A 2 3.562 -3.870 21.659 1.00 71.44 C ATOM 23 O THR A 2 2.836 -3.904 20.661 1.00 75.55 O ATOM 24 CB THR A 2 2.724 -3.304 23.999 1.00 42.40 C ATOM 25 OG1 THR A 2 2.429 -3.854 25.287 1.00 44.22 O ATOM 26 CG2 THR A 2 1.523 -2.448 23.524 1.00 1.14 C ATOM 0 H THR A 2 4.355 -5.101 24.561 1.00 21.22 H new ATOM 0 HA THR A 2 2.202 -5.078 22.814 1.00 14.22 H new ATOM 0 HB THR A 2 3.591 -2.645 24.044 1.00 42.40 H new ATOM 0 HG1 THR A 2 2.205 -3.130 25.908 1.00 44.22 H new ATOM 0 HG21 THR A 2 1.324 -1.663 24.254 1.00 1.14 H new ATOM 0 HG22 THR A 2 1.757 -1.996 22.560 1.00 1.14 H new ATOM 0 HG23 THR A 2 0.642 -3.082 23.424 1.00 1.14 H new ATOM 34 N SER A 3 4.808 -3.372 21.669 1.00 4.35 N ATOM 35 CA SER A 3 5.472 -2.767 20.502 1.00 63.24 C ATOM 36 C SER A 3 5.637 -3.780 19.354 1.00 0.21 C ATOM 37 O SER A 3 5.356 -3.466 18.197 1.00 74.11 O ATOM 38 CB SER A 3 6.853 -2.254 20.949 1.00 53.54 C ATOM 39 OG SER A 3 7.626 -3.323 21.476 1.00 75.44 O ATOM 0 H SER A 3 5.394 -3.378 22.504 1.00 4.35 H new ATOM 0 HA SER A 3 4.857 -1.949 20.127 1.00 63.24 H new ATOM 0 HB2 SER A 3 7.372 -1.802 20.104 1.00 53.54 H new ATOM 0 HB3 SER A 3 6.734 -1.476 21.703 1.00 53.54 H new ATOM 0 HG SER A 3 8.503 -2.986 21.756 1.00 75.44 H new ATOM 45 N THR A 4 6.113 -4.985 19.725 1.00 54.40 N ATOM 46 CA THR A 4 6.333 -6.115 18.816 1.00 21.51 C ATOM 47 C THR A 4 5.040 -6.481 18.059 1.00 23.34 C ATOM 48 O THR A 4 4.995 -6.408 16.820 1.00 13.33 O ATOM 49 CB THR A 4 6.857 -7.348 19.643 1.00 11.22 C ATOM 50 OG1 THR A 4 8.057 -6.984 20.349 1.00 41.21 O ATOM 51 CG2 THR A 4 7.128 -8.577 18.766 1.00 74.21 C ATOM 0 H THR A 4 6.360 -5.199 20.691 1.00 54.40 H new ATOM 0 HA THR A 4 7.078 -5.831 18.073 1.00 21.51 H new ATOM 0 HB THR A 4 6.071 -7.621 20.347 1.00 11.22 H new ATOM 0 HG1 THR A 4 8.380 -7.753 20.864 1.00 41.21 H new ATOM 0 HG21 THR A 4 7.487 -9.396 19.389 1.00 74.21 H new ATOM 0 HG22 THR A 4 6.207 -8.878 18.266 1.00 74.21 H new ATOM 0 HG23 THR A 4 7.883 -8.332 18.019 1.00 74.21 H new ATOM 59 N VAL A 5 3.980 -6.799 18.832 1.00 14.25 N ATOM 60 CA VAL A 5 2.673 -7.198 18.294 1.00 52.13 C ATOM 61 C VAL A 5 2.101 -6.102 17.385 1.00 42.50 C ATOM 62 O VAL A 5 1.650 -6.384 16.272 1.00 12.45 O ATOM 63 CB VAL A 5 1.650 -7.521 19.454 1.00 62.55 C ATOM 64 CG1 VAL A 5 0.247 -7.859 18.889 1.00 32.32 C ATOM 65 CG2 VAL A 5 2.173 -8.667 20.356 1.00 62.32 C ATOM 0 H VAL A 5 4.013 -6.784 19.851 1.00 14.25 H new ATOM 0 HA VAL A 5 2.824 -8.103 17.706 1.00 52.13 H new ATOM 0 HB VAL A 5 1.555 -6.625 20.068 1.00 62.55 H new ATOM 0 HG11 VAL A 5 -0.434 -8.076 19.712 1.00 32.32 H new ATOM 0 HG12 VAL A 5 -0.131 -7.009 18.320 1.00 32.32 H new ATOM 0 HG13 VAL A 5 0.317 -8.729 18.237 1.00 32.32 H new ATOM 0 HG21 VAL A 5 1.449 -8.868 21.146 1.00 62.32 H new ATOM 0 HG22 VAL A 5 2.315 -9.566 19.756 1.00 62.32 H new ATOM 0 HG23 VAL A 5 3.124 -8.374 20.802 1.00 62.32 H new ATOM 75 N GLU A 6 2.187 -4.847 17.858 1.00 33.12 N ATOM 76 CA GLU A 6 1.625 -3.684 17.161 1.00 23.12 C ATOM 77 C GLU A 6 2.263 -3.531 15.763 1.00 35.41 C ATOM 78 O GLU A 6 1.568 -3.568 14.740 1.00 53.33 O ATOM 79 CB GLU A 6 1.854 -2.398 18.011 1.00 70.30 C ATOM 80 CG GLU A 6 0.942 -1.223 17.639 1.00 51.15 C ATOM 81 CD GLU A 6 -0.545 -1.541 17.882 1.00 33.21 C ATOM 82 OE1 GLU A 6 -0.950 -1.666 19.061 1.00 53.11 O ATOM 83 OE2 GLU A 6 -1.309 -1.692 16.905 1.00 42.43 O ATOM 0 H GLU A 6 2.650 -4.613 18.736 1.00 33.12 H new ATOM 0 HA GLU A 6 0.553 -3.834 17.030 1.00 23.12 H new ATOM 0 HB2 GLU A 6 1.703 -2.641 19.063 1.00 70.30 H new ATOM 0 HB3 GLU A 6 2.892 -2.085 17.902 1.00 70.30 H new ATOM 0 HG2 GLU A 6 1.225 -0.347 18.223 1.00 51.15 H new ATOM 0 HG3 GLU A 6 1.090 -0.968 16.590 1.00 51.15 H new ATOM 90 N PHE A 7 3.606 -3.448 15.761 1.00 63.14 N ATOM 91 CA PHE A 7 4.429 -3.206 14.570 1.00 53.12 C ATOM 92 C PHE A 7 4.224 -4.317 13.500 1.00 21.14 C ATOM 93 O PHE A 7 3.885 -4.021 12.334 1.00 32.45 O ATOM 94 CB PHE A 7 5.912 -3.114 15.031 1.00 32.23 C ATOM 95 CG PHE A 7 6.881 -2.578 13.990 1.00 65.12 C ATOM 96 CD1 PHE A 7 7.923 -3.365 13.501 1.00 73.44 C ATOM 97 CD2 PHE A 7 6.751 -1.274 13.506 1.00 3.44 C ATOM 98 CE1 PHE A 7 8.804 -2.867 12.563 1.00 21.20 C ATOM 99 CE2 PHE A 7 7.633 -0.780 12.567 1.00 1.42 C ATOM 100 CZ PHE A 7 8.657 -1.579 12.095 1.00 0.41 C ATOM 0 H PHE A 7 4.160 -3.551 16.612 1.00 63.14 H new ATOM 0 HA PHE A 7 4.132 -2.273 14.092 1.00 53.12 H new ATOM 0 HB2 PHE A 7 5.963 -2.476 15.914 1.00 32.23 H new ATOM 0 HB3 PHE A 7 6.243 -4.107 15.336 1.00 32.23 H new ATOM 0 HD1 PHE A 7 8.042 -4.376 13.861 1.00 73.44 H new ATOM 0 HD2 PHE A 7 5.952 -0.646 13.871 1.00 3.44 H new ATOM 0 HE1 PHE A 7 9.609 -3.487 12.196 1.00 21.20 H new ATOM 0 HE2 PHE A 7 7.523 0.230 12.201 1.00 1.42 H new ATOM 0 HZ PHE A 7 9.344 -1.193 11.357 1.00 0.41 H new ATOM 110 N ILE A 8 4.376 -5.592 13.940 1.00 71.11 N ATOM 111 CA ILE A 8 4.264 -6.783 13.064 1.00 62.40 C ATOM 112 C ILE A 8 2.857 -6.886 12.441 1.00 62.21 C ATOM 113 O ILE A 8 2.729 -7.033 11.229 1.00 2.22 O ATOM 114 CB ILE A 8 4.574 -8.116 13.856 1.00 41.24 C ATOM 115 CG1 ILE A 8 6.027 -8.109 14.412 1.00 65.44 C ATOM 116 CG2 ILE A 8 4.338 -9.379 12.983 1.00 23.15 C ATOM 117 CD1 ILE A 8 6.349 -9.279 15.329 1.00 43.44 C ATOM 0 H ILE A 8 4.580 -5.822 14.913 1.00 71.11 H new ATOM 0 HA ILE A 8 5.002 -6.660 12.272 1.00 62.40 H new ATOM 0 HB ILE A 8 3.878 -8.157 14.694 1.00 41.24 H new ATOM 0 HG12 ILE A 8 6.725 -8.116 13.575 1.00 65.44 H new ATOM 0 HG13 ILE A 8 6.191 -7.179 14.956 1.00 65.44 H new ATOM 0 HG21 ILE A 8 4.563 -10.272 13.566 1.00 23.15 H new ATOM 0 HG22 ILE A 8 3.297 -9.409 12.660 1.00 23.15 H new ATOM 0 HG23 ILE A 8 4.988 -9.344 12.109 1.00 23.15 H new ATOM 0 HD11 ILE A 8 7.380 -9.199 15.673 1.00 43.44 H new ATOM 0 HD12 ILE A 8 5.678 -9.263 16.188 1.00 43.44 H new ATOM 0 HD13 ILE A 8 6.220 -10.214 14.784 1.00 43.44 H new ATOM 129 N ASN A 9 1.814 -6.792 13.296 1.00 33.30 N ATOM 130 CA ASN A 9 0.403 -7.000 12.882 1.00 34.24 C ATOM 131 C ASN A 9 -0.085 -5.885 11.940 1.00 71.02 C ATOM 132 O ASN A 9 -0.917 -6.140 11.055 1.00 50.03 O ATOM 133 CB ASN A 9 -0.533 -7.105 14.115 1.00 33.02 C ATOM 134 CG ASN A 9 -0.381 -8.401 14.938 1.00 64.32 C ATOM 135 OD1 ASN A 9 0.824 -8.965 15.025 1.00 44.11 O flip ATOM 136 ND2 ASN A 9 -1.355 -8.886 15.515 1.00 63.23 N flip ATOM 0 H ASN A 9 1.922 -6.572 14.286 1.00 33.30 H new ATOM 0 HA ASN A 9 0.368 -7.943 12.336 1.00 34.24 H new ATOM 0 HB2 ASN A 9 -0.346 -6.253 14.768 1.00 33.02 H new ATOM 0 HB3 ASN A 9 -1.566 -7.026 13.776 1.00 33.02 H new ATOM 0 HD21 ASN A 9 -2.269 -8.440 15.436 1.00 63.23 H new ATOM 0 HD22 ASN A 9 -1.248 -9.734 16.072 1.00 63.23 H new ATOM 143 N ARG A 10 0.431 -4.650 12.140 1.00 42.43 N ATOM 144 CA ARG A 10 0.133 -3.523 11.236 1.00 11.21 C ATOM 145 C ARG A 10 0.755 -3.783 9.855 1.00 52.43 C ATOM 146 O ARG A 10 0.036 -3.772 8.852 1.00 74.30 O ATOM 147 CB ARG A 10 0.606 -2.157 11.820 1.00 54.02 C ATOM 148 CG ARG A 10 -0.233 -1.678 13.022 1.00 1.30 C ATOM 149 CD ARG A 10 0.201 -0.309 13.575 1.00 73.42 C ATOM 150 NE ARG A 10 -0.622 0.084 14.733 1.00 63.04 N ATOM 151 CZ ARG A 10 -0.522 1.234 15.423 1.00 73.13 C ATOM 152 NH1 ARG A 10 0.364 2.170 15.094 1.00 54.43 N ATOM 153 NH2 ARG A 10 -1.301 1.418 16.480 1.00 72.41 N ATOM 0 H ARG A 10 1.051 -4.413 12.915 1.00 42.43 H new ATOM 0 HA ARG A 10 -0.950 -3.455 11.130 1.00 11.21 H new ATOM 0 HB2 ARG A 10 1.649 -2.243 12.126 1.00 54.02 H new ATOM 0 HB3 ARG A 10 0.566 -1.402 11.035 1.00 54.02 H new ATOM 0 HG2 ARG A 10 -1.280 -1.624 12.724 1.00 1.30 H new ATOM 0 HG3 ARG A 10 -0.166 -2.419 13.818 1.00 1.30 H new ATOM 0 HD2 ARG A 10 1.250 -0.348 13.868 1.00 73.42 H new ATOM 0 HD3 ARG A 10 0.116 0.445 12.793 1.00 73.42 H new ATOM 0 HE ARG A 10 -1.334 -0.579 15.040 1.00 63.04 H new ATOM 0 HH11 ARG A 10 0.989 2.025 14.301 1.00 54.43 H new ATOM 0 HH12 ARG A 10 0.418 3.033 15.635 1.00 54.43 H new ATOM 0 HH21 ARG A 10 -1.963 0.693 16.758 1.00 72.41 H new ATOM 0 HH22 ARG A 10 -1.238 2.284 17.015 1.00 72.41 H new ATOM 167 N TRP A 11 2.077 -4.085 9.816 1.00 64.11 N ATOM 168 CA TRP A 11 2.773 -4.404 8.542 1.00 4.02 C ATOM 169 C TRP A 11 2.157 -5.631 7.837 1.00 33.10 C ATOM 170 O TRP A 11 2.096 -5.678 6.601 1.00 31.01 O ATOM 171 CB TRP A 11 4.296 -4.626 8.754 1.00 63.24 C ATOM 172 CG TRP A 11 5.084 -3.348 8.878 1.00 3.55 C ATOM 173 CD1 TRP A 11 5.770 -2.900 9.964 1.00 1.41 C ATOM 174 CD2 TRP A 11 5.250 -2.341 7.860 1.00 51.31 C ATOM 175 NE1 TRP A 11 6.358 -1.695 9.683 1.00 4.14 N ATOM 176 CE2 TRP A 11 6.052 -1.328 8.407 1.00 31.44 C ATOM 177 CE3 TRP A 11 4.790 -2.197 6.548 1.00 11.41 C ATOM 178 CZ2 TRP A 11 6.415 -0.189 7.692 1.00 32.14 C ATOM 179 CZ3 TRP A 11 5.152 -1.074 5.836 1.00 2.41 C ATOM 180 CH2 TRP A 11 5.956 -0.079 6.412 1.00 44.30 C ATOM 0 H TRP A 11 2.677 -4.115 10.640 1.00 64.11 H new ATOM 0 HA TRP A 11 2.637 -3.536 7.897 1.00 4.02 H new ATOM 0 HB2 TRP A 11 4.445 -5.223 9.654 1.00 63.24 H new ATOM 0 HB3 TRP A 11 4.689 -5.205 7.919 1.00 63.24 H new ATOM 0 HD1 TRP A 11 5.841 -3.418 10.909 1.00 1.41 H new ATOM 0 HE1 TRP A 11 6.935 -1.156 10.329 1.00 4.14 H new ATOM 0 HE3 TRP A 11 4.162 -2.953 6.100 1.00 11.41 H new ATOM 0 HZ2 TRP A 11 7.035 0.577 8.134 1.00 32.14 H new ATOM 0 HZ3 TRP A 11 4.811 -0.958 4.818 1.00 2.41 H new ATOM 0 HH2 TRP A 11 6.217 0.792 5.830 1.00 44.30 H new ATOM 191 N GLN A 12 1.701 -6.604 8.647 1.00 74.51 N ATOM 192 CA GLN A 12 1.067 -7.843 8.168 1.00 32.12 C ATOM 193 C GLN A 12 -0.224 -7.511 7.425 1.00 31.42 C ATOM 194 O GLN A 12 -0.425 -7.947 6.288 1.00 14.14 O ATOM 195 CB GLN A 12 0.768 -8.791 9.359 1.00 10.01 C ATOM 196 CG GLN A 12 0.189 -10.160 8.955 1.00 25.34 C ATOM 197 CD GLN A 12 -0.290 -10.999 10.138 1.00 64.34 C ATOM 198 OE1 GLN A 12 0.197 -10.871 11.261 1.00 35.04 O ATOM 199 NE2 GLN A 12 -1.227 -11.891 9.883 1.00 32.31 N ATOM 0 H GLN A 12 1.764 -6.550 9.664 1.00 74.51 H new ATOM 0 HA GLN A 12 1.751 -8.347 7.486 1.00 32.12 H new ATOM 0 HB2 GLN A 12 1.689 -8.951 9.920 1.00 10.01 H new ATOM 0 HB3 GLN A 12 0.067 -8.298 10.032 1.00 10.01 H new ATOM 0 HG2 GLN A 12 -0.645 -10.004 8.271 1.00 25.34 H new ATOM 0 HG3 GLN A 12 0.949 -10.719 8.409 1.00 25.34 H new ATOM 0 HE21 GLN A 12 -1.611 -11.973 8.941 1.00 32.31 H new ATOM 0 HE22 GLN A 12 -1.568 -12.499 10.627 1.00 32.31 H new ATOM 208 N ARG A 13 -1.065 -6.693 8.092 1.00 32.22 N ATOM 209 CA ARG A 13 -2.340 -6.206 7.549 1.00 3.13 C ATOM 210 C ARG A 13 -2.114 -5.498 6.200 1.00 11.23 C ATOM 211 O ARG A 13 -2.805 -5.784 5.234 1.00 64.42 O ATOM 212 CB ARG A 13 -3.024 -5.243 8.570 1.00 1.32 C ATOM 213 CG ARG A 13 -4.351 -4.604 8.084 1.00 53.21 C ATOM 214 CD ARG A 13 -5.443 -5.642 7.751 1.00 54.30 C ATOM 215 NE ARG A 13 -6.671 -5.016 7.228 1.00 10.54 N ATOM 216 CZ ARG A 13 -7.764 -5.678 6.808 1.00 43.44 C ATOM 217 NH1 ARG A 13 -7.810 -7.010 6.833 1.00 64.24 N ATOM 218 NH2 ARG A 13 -8.816 -4.991 6.372 1.00 72.53 N ATOM 0 H ARG A 13 -0.871 -6.351 9.033 1.00 32.22 H new ATOM 0 HA ARG A 13 -2.999 -7.058 7.380 1.00 3.13 H new ATOM 0 HB2 ARG A 13 -3.219 -5.793 9.490 1.00 1.32 H new ATOM 0 HB3 ARG A 13 -2.324 -4.445 8.818 1.00 1.32 H new ATOM 0 HG2 ARG A 13 -4.724 -3.929 8.854 1.00 53.21 H new ATOM 0 HG3 ARG A 13 -4.152 -4.000 7.199 1.00 53.21 H new ATOM 0 HD2 ARG A 13 -5.057 -6.349 7.016 1.00 54.30 H new ATOM 0 HD3 ARG A 13 -5.683 -6.214 8.648 1.00 54.30 H new ATOM 0 HE ARG A 13 -6.694 -3.997 7.181 1.00 10.54 H new ATOM 0 HH11 ARG A 13 -7.009 -7.542 7.174 1.00 64.24 H new ATOM 0 HH12 ARG A 13 -8.646 -7.498 6.511 1.00 64.24 H new ATOM 0 HH21 ARG A 13 -8.789 -3.971 6.358 1.00 72.53 H new ATOM 0 HH22 ARG A 13 -9.650 -5.484 6.051 1.00 72.53 H new ATOM 232 N ILE A 14 -1.088 -4.623 6.157 1.00 34.32 N ATOM 233 CA ILE A 14 -0.727 -3.831 4.960 1.00 13.12 C ATOM 234 C ILE A 14 -0.289 -4.746 3.795 1.00 64.35 C ATOM 235 O ILE A 14 -0.618 -4.482 2.637 1.00 14.33 O ATOM 236 CB ILE A 14 0.411 -2.806 5.315 1.00 21.01 C ATOM 237 CG1 ILE A 14 -0.066 -1.841 6.433 1.00 50.33 C ATOM 238 CG2 ILE A 14 0.888 -1.999 4.087 1.00 30.43 C ATOM 239 CD1 ILE A 14 0.999 -0.898 6.934 1.00 22.12 C ATOM 0 H ILE A 14 -0.481 -4.444 6.957 1.00 34.32 H new ATOM 0 HA ILE A 14 -1.610 -3.281 4.636 1.00 13.12 H new ATOM 0 HB ILE A 14 1.263 -3.386 5.669 1.00 21.01 H new ATOM 0 HG12 ILE A 14 -0.906 -1.256 6.058 1.00 50.33 H new ATOM 0 HG13 ILE A 14 -0.437 -2.430 7.272 1.00 50.33 H new ATOM 0 HG21 ILE A 14 1.674 -1.307 4.389 1.00 30.43 H new ATOM 0 HG22 ILE A 14 1.277 -2.682 3.332 1.00 30.43 H new ATOM 0 HG23 ILE A 14 0.050 -1.438 3.672 1.00 30.43 H new ATOM 0 HD11 ILE A 14 0.582 -0.259 7.713 1.00 22.12 H new ATOM 0 HD12 ILE A 14 1.831 -1.472 7.342 1.00 22.12 H new ATOM 0 HD13 ILE A 14 1.355 -0.280 6.110 1.00 22.12 H new ATOM 251 N ALA A 15 0.434 -5.832 4.126 1.00 24.43 N ATOM 252 CA ALA A 15 0.876 -6.834 3.140 1.00 14.35 C ATOM 253 C ALA A 15 -0.330 -7.570 2.528 1.00 24.32 C ATOM 254 O ALA A 15 -0.389 -7.784 1.311 1.00 64.51 O ATOM 255 CB ALA A 15 1.835 -7.829 3.798 1.00 45.02 C ATOM 0 H ALA A 15 0.727 -6.039 5.081 1.00 24.43 H new ATOM 0 HA ALA A 15 1.400 -6.320 2.335 1.00 14.35 H new ATOM 0 HB1 ALA A 15 2.156 -8.566 3.062 1.00 45.02 H new ATOM 0 HB2 ALA A 15 2.705 -7.296 4.182 1.00 45.02 H new ATOM 0 HB3 ALA A 15 1.327 -8.335 4.620 1.00 45.02 H new ATOM 261 N LEU A 16 -1.299 -7.921 3.395 1.00 22.21 N ATOM 262 CA LEU A 16 -2.532 -8.629 2.998 1.00 50.12 C ATOM 263 C LEU A 16 -3.458 -7.709 2.181 1.00 24.35 C ATOM 264 O LEU A 16 -4.149 -8.167 1.255 1.00 2.05 O ATOM 265 CB LEU A 16 -3.261 -9.169 4.260 1.00 12.35 C ATOM 266 CG LEU A 16 -2.423 -10.132 5.166 1.00 52.33 C ATOM 267 CD1 LEU A 16 -3.236 -10.613 6.388 1.00 10.41 C ATOM 268 CD2 LEU A 16 -1.856 -11.322 4.356 1.00 10.42 C ATOM 0 H LEU A 16 -1.249 -7.721 4.394 1.00 22.21 H new ATOM 0 HA LEU A 16 -2.260 -9.472 2.362 1.00 50.12 H new ATOM 0 HB2 LEU A 16 -3.582 -8.320 4.863 1.00 12.35 H new ATOM 0 HB3 LEU A 16 -4.162 -9.692 3.941 1.00 12.35 H new ATOM 0 HG LEU A 16 -1.574 -9.564 5.546 1.00 52.33 H new ATOM 0 HD11 LEU A 16 -2.622 -11.280 6.994 1.00 10.41 H new ATOM 0 HD12 LEU A 16 -3.537 -9.753 6.986 1.00 10.41 H new ATOM 0 HD13 LEU A 16 -4.123 -11.146 6.047 1.00 10.41 H new ATOM 0 HD21 LEU A 16 -1.280 -11.970 5.016 1.00 10.42 H new ATOM 0 HD22 LEU A 16 -2.678 -11.889 3.918 1.00 10.42 H new ATOM 0 HD23 LEU A 16 -1.210 -10.947 3.562 1.00 10.42 H new ATOM 280 N LEU A 17 -3.441 -6.404 2.533 1.00 72.43 N ATOM 281 CA LEU A 17 -4.206 -5.363 1.836 1.00 63.00 C ATOM 282 C LEU A 17 -3.662 -5.201 0.417 1.00 22.11 C ATOM 283 O LEU A 17 -4.368 -5.483 -0.519 1.00 54.12 O ATOM 284 CB LEU A 17 -4.168 -4.010 2.612 1.00 72.33 C ATOM 285 CG LEU A 17 -4.986 -3.964 3.941 1.00 25.21 C ATOM 286 CD1 LEU A 17 -4.670 -2.685 4.740 1.00 23.30 C ATOM 287 CD2 LEU A 17 -6.504 -4.091 3.666 1.00 5.54 C ATOM 0 H LEU A 17 -2.891 -6.048 3.315 1.00 72.43 H new ATOM 0 HA LEU A 17 -5.251 -5.669 1.785 1.00 63.00 H new ATOM 0 HB2 LEU A 17 -3.129 -3.773 2.839 1.00 72.33 H new ATOM 0 HB3 LEU A 17 -4.538 -3.225 1.953 1.00 72.33 H new ATOM 0 HG LEU A 17 -4.687 -4.819 4.548 1.00 25.21 H new ATOM 0 HD11 LEU A 17 -5.253 -2.678 5.661 1.00 23.30 H new ATOM 0 HD12 LEU A 17 -3.608 -2.661 4.983 1.00 23.30 H new ATOM 0 HD13 LEU A 17 -4.926 -1.810 4.142 1.00 23.30 H new ATOM 0 HD21 LEU A 17 -7.049 -4.056 4.609 1.00 5.54 H new ATOM 0 HD22 LEU A 17 -6.828 -3.268 3.029 1.00 5.54 H new ATOM 0 HD23 LEU A 17 -6.705 -5.038 3.166 1.00 5.54 H new ATOM 299 N SER A 18 -2.375 -4.839 0.283 1.00 3.11 N ATOM 300 CA SER A 18 -1.711 -4.614 -1.021 1.00 31.55 C ATOM 301 C SER A 18 -1.790 -5.861 -1.933 1.00 22.31 C ATOM 302 O SER A 18 -1.897 -5.732 -3.149 1.00 4.43 O ATOM 303 CB SER A 18 -0.241 -4.221 -0.783 1.00 44.21 C ATOM 304 OG SER A 18 0.409 -5.193 0.018 1.00 52.33 O ATOM 0 H SER A 18 -1.757 -4.692 1.081 1.00 3.11 H new ATOM 0 HA SER A 18 -2.234 -3.806 -1.533 1.00 31.55 H new ATOM 0 HB2 SER A 18 0.275 -4.124 -1.738 1.00 44.21 H new ATOM 0 HB3 SER A 18 -0.193 -3.248 -0.295 1.00 44.21 H new ATOM 0 HG SER A 18 0.188 -5.041 0.961 1.00 52.33 H new ATOM 310 N GLN A 19 -1.724 -7.061 -1.314 1.00 55.15 N ATOM 311 CA GLN A 19 -1.889 -8.361 -2.008 1.00 52.11 C ATOM 312 C GLN A 19 -3.301 -8.496 -2.626 1.00 2.05 C ATOM 313 O GLN A 19 -3.445 -8.758 -3.838 1.00 25.25 O ATOM 314 CB GLN A 19 -1.632 -9.507 -0.997 1.00 21.54 C ATOM 315 CG GLN A 19 -1.790 -10.939 -1.547 1.00 1.15 C ATOM 316 CD GLN A 19 -1.674 -12.031 -0.473 1.00 61.02 C ATOM 317 OE1 GLN A 19 -2.149 -11.756 0.742 1.00 31.31 O flip ATOM 318 NE2 GLN A 19 -1.201 -13.134 -0.746 1.00 40.24 N flip ATOM 0 H GLN A 19 -1.554 -7.157 -0.313 1.00 55.15 H new ATOM 0 HA GLN A 19 -1.169 -8.418 -2.825 1.00 52.11 H new ATOM 0 HB2 GLN A 19 -0.621 -9.399 -0.604 1.00 21.54 H new ATOM 0 HB3 GLN A 19 -2.315 -9.384 -0.157 1.00 21.54 H new ATOM 0 HG2 GLN A 19 -2.760 -11.025 -2.037 1.00 1.15 H new ATOM 0 HG3 GLN A 19 -1.031 -11.111 -2.310 1.00 1.15 H new ATOM 0 HE21 GLN A 19 -0.844 -13.318 -1.684 1.00 40.24 H new ATOM 0 HE22 GLN A 19 -1.166 -13.864 -0.035 1.00 40.24 H new ATOM 327 N SER A 20 -4.341 -8.304 -1.775 1.00 64.13 N ATOM 328 CA SER A 20 -5.753 -8.420 -2.195 1.00 23.52 C ATOM 329 C SER A 20 -6.088 -7.345 -3.237 1.00 63.04 C ATOM 330 O SER A 20 -6.705 -7.640 -4.254 1.00 31.24 O ATOM 331 CB SER A 20 -6.711 -8.326 -0.981 1.00 63.42 C ATOM 332 OG SER A 20 -6.549 -7.116 -0.266 1.00 73.44 O ATOM 0 H SER A 20 -4.222 -8.067 -0.790 1.00 64.13 H new ATOM 0 HA SER A 20 -5.892 -9.401 -2.649 1.00 23.52 H new ATOM 0 HB2 SER A 20 -7.742 -8.407 -1.326 1.00 63.42 H new ATOM 0 HB3 SER A 20 -6.532 -9.168 -0.313 1.00 63.42 H new ATOM 0 HG SER A 20 -5.689 -6.709 -0.502 1.00 73.44 H new ATOM 338 N LEU A 21 -5.598 -6.121 -2.977 1.00 23.51 N ATOM 339 CA LEU A 21 -5.769 -4.939 -3.831 1.00 1.41 C ATOM 340 C LEU A 21 -5.097 -5.144 -5.191 1.00 24.42 C ATOM 341 O LEU A 21 -5.629 -4.717 -6.223 1.00 25.35 O ATOM 342 CB LEU A 21 -5.169 -3.683 -3.134 1.00 54.03 C ATOM 343 CG LEU A 21 -5.906 -3.188 -1.849 1.00 24.45 C ATOM 344 CD1 LEU A 21 -5.116 -2.066 -1.144 1.00 61.55 C ATOM 345 CD2 LEU A 21 -7.334 -2.732 -2.179 1.00 41.13 C ATOM 0 H LEU A 21 -5.054 -5.923 -2.137 1.00 23.51 H new ATOM 0 HA LEU A 21 -6.837 -4.789 -3.991 1.00 1.41 H new ATOM 0 HB2 LEU A 21 -4.133 -3.899 -2.873 1.00 54.03 H new ATOM 0 HB3 LEU A 21 -5.153 -2.866 -3.855 1.00 54.03 H new ATOM 0 HG LEU A 21 -5.970 -4.029 -1.159 1.00 24.45 H new ATOM 0 HD11 LEU A 21 -5.657 -1.744 -0.254 1.00 61.55 H new ATOM 0 HD12 LEU A 21 -4.133 -2.439 -0.857 1.00 61.55 H new ATOM 0 HD13 LEU A 21 -5.000 -1.221 -1.823 1.00 61.55 H new ATOM 0 HD21 LEU A 21 -7.827 -2.392 -1.268 1.00 41.13 H new ATOM 0 HD22 LEU A 21 -7.298 -1.914 -2.899 1.00 41.13 H new ATOM 0 HD23 LEU A 21 -7.893 -3.565 -2.604 1.00 41.13 H new ATOM 357 N LEU A 22 -3.915 -5.798 -5.174 1.00 12.44 N ATOM 358 CA LEU A 22 -3.184 -6.130 -6.400 1.00 54.44 C ATOM 359 C LEU A 22 -4.030 -7.061 -7.262 1.00 33.21 C ATOM 360 O LEU A 22 -4.209 -6.809 -8.453 1.00 42.31 O ATOM 361 CB LEU A 22 -1.809 -6.783 -6.102 1.00 11.30 C ATOM 362 CG LEU A 22 -1.008 -7.246 -7.360 1.00 54.24 C ATOM 363 CD1 LEU A 22 -0.783 -6.073 -8.340 1.00 22.53 C ATOM 364 CD2 LEU A 22 0.322 -7.910 -6.958 1.00 43.23 C ATOM 0 H LEU A 22 -3.452 -6.104 -4.318 1.00 12.44 H new ATOM 0 HA LEU A 22 -2.991 -5.200 -6.935 1.00 54.44 H new ATOM 0 HB2 LEU A 22 -1.200 -6.072 -5.544 1.00 11.30 H new ATOM 0 HB3 LEU A 22 -1.967 -7.645 -5.454 1.00 11.30 H new ATOM 0 HG LEU A 22 -1.604 -7.996 -7.879 1.00 54.24 H new ATOM 0 HD11 LEU A 22 -0.223 -6.425 -9.206 1.00 22.53 H new ATOM 0 HD12 LEU A 22 -1.747 -5.681 -8.666 1.00 22.53 H new ATOM 0 HD13 LEU A 22 -0.221 -5.284 -7.840 1.00 22.53 H new ATOM 0 HD21 LEU A 22 0.858 -8.222 -7.854 1.00 43.23 H new ATOM 0 HD22 LEU A 22 0.930 -7.198 -6.401 1.00 43.23 H new ATOM 0 HD23 LEU A 22 0.120 -8.781 -6.334 1.00 43.23 H new ATOM 376 N GLU A 23 -4.583 -8.106 -6.611 1.00 20.21 N ATOM 377 CA GLU A 23 -5.455 -9.081 -7.264 1.00 5.12 C ATOM 378 C GLU A 23 -6.688 -8.382 -7.867 1.00 50.31 C ATOM 379 O GLU A 23 -7.053 -8.663 -9.001 1.00 34.44 O ATOM 380 CB GLU A 23 -5.869 -10.189 -6.261 1.00 31.02 C ATOM 381 CG GLU A 23 -6.704 -11.317 -6.887 1.00 41.03 C ATOM 382 CD GLU A 23 -7.046 -12.434 -5.897 1.00 40.25 C ATOM 383 OE1 GLU A 23 -6.240 -13.380 -5.748 1.00 32.23 O ATOM 384 OE2 GLU A 23 -8.123 -12.372 -5.262 1.00 65.42 O ATOM 0 H GLU A 23 -4.432 -8.290 -5.619 1.00 20.21 H new ATOM 0 HA GLU A 23 -4.908 -9.553 -8.080 1.00 5.12 H new ATOM 0 HB2 GLU A 23 -4.970 -10.619 -5.818 1.00 31.02 H new ATOM 0 HB3 GLU A 23 -6.439 -9.736 -5.450 1.00 31.02 H new ATOM 0 HG2 GLU A 23 -7.628 -10.898 -7.286 1.00 41.03 H new ATOM 0 HG3 GLU A 23 -6.157 -11.741 -7.729 1.00 41.03 H new ATOM 391 N LEU A 24 -7.256 -7.406 -7.118 1.00 53.04 N ATOM 392 CA LEU A 24 -8.420 -6.615 -7.567 1.00 60.43 C ATOM 393 C LEU A 24 -8.089 -5.882 -8.882 1.00 74.12 C ATOM 394 O LEU A 24 -8.823 -5.987 -9.856 1.00 52.14 O ATOM 395 CB LEU A 24 -8.857 -5.580 -6.490 1.00 55.11 C ATOM 396 CG LEU A 24 -9.283 -6.139 -5.099 1.00 71.31 C ATOM 397 CD1 LEU A 24 -9.609 -4.991 -4.137 1.00 62.21 C ATOM 398 CD2 LEU A 24 -10.457 -7.135 -5.193 1.00 2.24 C ATOM 0 H LEU A 24 -6.920 -7.148 -6.190 1.00 53.04 H new ATOM 0 HA LEU A 24 -9.246 -7.307 -7.730 1.00 60.43 H new ATOM 0 HB2 LEU A 24 -8.033 -4.883 -6.336 1.00 55.11 H new ATOM 0 HB3 LEU A 24 -9.690 -5.004 -6.893 1.00 55.11 H new ATOM 0 HG LEU A 24 -8.435 -6.698 -4.704 1.00 71.31 H new ATOM 0 HD11 LEU A 24 -9.905 -5.399 -3.170 1.00 62.21 H new ATOM 0 HD12 LEU A 24 -8.729 -4.361 -4.011 1.00 62.21 H new ATOM 0 HD13 LEU A 24 -10.426 -4.396 -4.545 1.00 62.21 H new ATOM 0 HD21 LEU A 24 -10.712 -7.492 -4.195 1.00 2.24 H new ATOM 0 HD22 LEU A 24 -11.322 -6.638 -5.632 1.00 2.24 H new ATOM 0 HD23 LEU A 24 -10.168 -7.980 -5.818 1.00 2.24 H new ATOM 410 N ALA A 25 -6.936 -5.194 -8.897 1.00 44.51 N ATOM 411 CA ALA A 25 -6.458 -4.437 -10.066 1.00 21.35 C ATOM 412 C ALA A 25 -6.173 -5.355 -11.271 1.00 70.13 C ATOM 413 O ALA A 25 -6.426 -4.983 -12.427 1.00 64.31 O ATOM 414 CB ALA A 25 -5.210 -3.632 -9.684 1.00 72.51 C ATOM 0 H ALA A 25 -6.307 -5.147 -8.096 1.00 44.51 H new ATOM 0 HA ALA A 25 -7.248 -3.752 -10.372 1.00 21.35 H new ATOM 0 HB1 ALA A 25 -4.858 -3.073 -10.551 1.00 72.51 H new ATOM 0 HB2 ALA A 25 -5.456 -2.938 -8.880 1.00 72.51 H new ATOM 0 HB3 ALA A 25 -4.427 -4.312 -9.349 1.00 72.51 H new ATOM 420 N GLN A 26 -5.666 -6.566 -10.978 1.00 32.12 N ATOM 421 CA GLN A 26 -5.386 -7.601 -11.992 1.00 44.33 C ATOM 422 C GLN A 26 -6.702 -8.209 -12.553 1.00 13.33 C ATOM 423 O GLN A 26 -6.725 -8.686 -13.689 1.00 45.44 O ATOM 424 CB GLN A 26 -4.500 -8.727 -11.381 1.00 55.12 C ATOM 425 CG GLN A 26 -3.067 -8.317 -10.952 1.00 14.44 C ATOM 426 CD GLN A 26 -2.146 -7.883 -12.101 1.00 11.23 C ATOM 427 OE1 GLN A 26 -2.293 -8.313 -13.245 1.00 35.24 O ATOM 428 NE2 GLN A 26 -1.159 -7.053 -11.792 1.00 54.42 N ATOM 0 H GLN A 26 -5.438 -6.856 -10.027 1.00 32.12 H new ATOM 0 HA GLN A 26 -4.850 -7.128 -12.815 1.00 44.33 H new ATOM 0 HB2 GLN A 26 -5.015 -9.133 -10.510 1.00 55.12 H new ATOM 0 HB3 GLN A 26 -4.421 -9.534 -12.110 1.00 55.12 H new ATOM 0 HG2 GLN A 26 -3.138 -7.499 -10.235 1.00 14.44 H new ATOM 0 HG3 GLN A 26 -2.605 -9.157 -10.433 1.00 14.44 H new ATOM 0 HE21 GLN A 26 -1.060 -6.712 -10.836 1.00 54.42 H new ATOM 0 HE22 GLN A 26 -0.499 -6.756 -12.510 1.00 54.42 H new ATOM 437 N ARG A 27 -7.782 -8.209 -11.732 1.00 34.45 N ATOM 438 CA ARG A 27 -9.115 -8.750 -12.125 1.00 72.12 C ATOM 439 C ARG A 27 -10.017 -7.654 -12.736 1.00 51.32 C ATOM 440 O ARG A 27 -10.985 -7.964 -13.439 1.00 11.20 O ATOM 441 CB ARG A 27 -9.835 -9.394 -10.897 1.00 43.33 C ATOM 442 CG ARG A 27 -9.081 -10.585 -10.254 1.00 73.02 C ATOM 443 CD ARG A 27 -8.781 -11.727 -11.235 1.00 33.34 C ATOM 444 NE ARG A 27 -7.966 -12.792 -10.620 1.00 72.43 N ATOM 445 CZ ARG A 27 -7.717 -13.985 -11.182 1.00 52.11 C ATOM 446 NH1 ARG A 27 -8.213 -14.294 -12.377 1.00 4.05 N ATOM 447 NH2 ARG A 27 -6.979 -14.868 -10.528 1.00 10.32 N ATOM 0 H ARG A 27 -7.758 -7.837 -10.783 1.00 34.45 H new ATOM 0 HA ARG A 27 -8.941 -9.514 -12.883 1.00 72.12 H new ATOM 0 HB2 ARG A 27 -9.987 -8.626 -10.139 1.00 43.33 H new ATOM 0 HB3 ARG A 27 -10.823 -9.733 -11.209 1.00 43.33 H new ATOM 0 HG2 ARG A 27 -8.143 -10.225 -9.832 1.00 73.02 H new ATOM 0 HG3 ARG A 27 -9.674 -10.975 -9.427 1.00 73.02 H new ATOM 0 HD2 ARG A 27 -9.719 -12.151 -11.594 1.00 33.34 H new ATOM 0 HD3 ARG A 27 -8.258 -11.329 -12.105 1.00 33.34 H new ATOM 0 HE ARG A 27 -7.563 -12.608 -9.701 1.00 72.43 H new ATOM 0 HH11 ARG A 27 -8.791 -13.620 -12.879 1.00 4.05 H new ATOM 0 HH12 ARG A 27 -8.015 -15.205 -12.791 1.00 4.05 H new ATOM 0 HH21 ARG A 27 -6.606 -14.639 -9.607 1.00 10.32 H new ATOM 0 HH22 ARG A 27 -6.783 -15.778 -10.945 1.00 10.32 H new ATOM 461 N GLY A 28 -9.687 -6.377 -12.469 1.00 72.13 N ATOM 462 CA GLY A 28 -10.505 -5.236 -12.917 1.00 3.40 C ATOM 463 C GLY A 28 -11.561 -4.800 -11.896 1.00 32.41 C ATOM 464 O GLY A 28 -12.525 -4.110 -12.244 1.00 31.15 O ATOM 0 H GLY A 28 -8.855 -6.109 -11.943 1.00 72.13 H new ATOM 0 HA2 GLY A 28 -9.850 -4.392 -13.132 1.00 3.40 H new ATOM 0 HA3 GLY A 28 -11.002 -5.500 -13.851 1.00 3.40 H new ATOM 468 N GLU A 29 -11.386 -5.233 -10.643 1.00 40.44 N ATOM 469 CA GLU A 29 -12.230 -4.832 -9.509 1.00 52.31 C ATOM 470 C GLU A 29 -11.731 -3.492 -8.909 1.00 34.12 C ATOM 471 O GLU A 29 -10.818 -3.459 -8.082 1.00 22.42 O ATOM 472 CB GLU A 29 -12.264 -5.977 -8.460 1.00 11.54 C ATOM 473 CG GLU A 29 -13.099 -5.681 -7.201 1.00 64.13 C ATOM 474 CD GLU A 29 -14.561 -5.326 -7.496 1.00 3.44 C ATOM 475 OE1 GLU A 29 -15.363 -6.235 -7.776 1.00 23.23 O ATOM 476 OE2 GLU A 29 -14.909 -4.135 -7.441 1.00 3.00 O ATOM 0 H GLU A 29 -10.643 -5.882 -10.383 1.00 40.44 H new ATOM 0 HA GLU A 29 -13.252 -4.661 -9.849 1.00 52.31 H new ATOM 0 HB2 GLU A 29 -12.658 -6.874 -8.937 1.00 11.54 H new ATOM 0 HB3 GLU A 29 -11.242 -6.201 -8.155 1.00 11.54 H new ATOM 0 HG2 GLU A 29 -13.072 -6.552 -6.546 1.00 64.13 H new ATOM 0 HG3 GLU A 29 -12.638 -4.857 -6.656 1.00 64.13 H new ATOM 483 N TRP A 30 -12.315 -2.391 -9.407 1.00 4.44 N ATOM 484 CA TRP A 30 -11.958 -1.011 -9.008 1.00 51.15 C ATOM 485 C TRP A 30 -12.793 -0.529 -7.810 1.00 72.22 C ATOM 486 O TRP A 30 -12.362 0.374 -7.091 1.00 53.32 O ATOM 487 CB TRP A 30 -12.133 -0.039 -10.210 1.00 54.23 C ATOM 488 CG TRP A 30 -11.568 -0.591 -11.506 1.00 33.24 C ATOM 489 CD1 TRP A 30 -12.259 -0.846 -12.657 1.00 33.32 C ATOM 490 CD2 TRP A 30 -10.209 -1.000 -11.763 1.00 35.41 C ATOM 491 NE1 TRP A 30 -11.425 -1.385 -13.600 1.00 75.31 N ATOM 492 CE2 TRP A 30 -10.167 -1.486 -13.079 1.00 23.31 C ATOM 493 CE3 TRP A 30 -9.029 -1.001 -11.014 1.00 31.41 C ATOM 494 CZ2 TRP A 30 -8.999 -1.962 -13.662 1.00 43.15 C ATOM 495 CZ3 TRP A 30 -7.871 -1.477 -11.596 1.00 71.30 C ATOM 496 CH2 TRP A 30 -7.864 -1.955 -12.909 1.00 61.12 C ATOM 0 H TRP A 30 -13.057 -2.429 -10.106 1.00 4.44 H new ATOM 0 HA TRP A 30 -10.912 -1.018 -8.701 1.00 51.15 H new ATOM 0 HB2 TRP A 30 -13.193 0.176 -10.345 1.00 54.23 H new ATOM 0 HB3 TRP A 30 -11.642 0.907 -9.980 1.00 54.23 H new ATOM 0 HD1 TRP A 30 -13.311 -0.651 -12.802 1.00 33.32 H new ATOM 0 HE1 TRP A 30 -11.700 -1.666 -14.541 1.00 75.31 H new ATOM 0 HE3 TRP A 30 -9.023 -0.636 -9.998 1.00 31.41 H new ATOM 0 HZ2 TRP A 30 -8.991 -2.326 -14.679 1.00 43.15 H new ATOM 0 HZ3 TRP A 30 -6.954 -1.480 -11.026 1.00 71.30 H new ATOM 0 HH2 TRP A 30 -6.943 -2.325 -13.334 1.00 61.12 H new ATOM 507 N ASP A 31 -13.982 -1.132 -7.592 1.00 23.25 N ATOM 508 CA ASP A 31 -14.888 -0.714 -6.494 1.00 61.13 C ATOM 509 C ASP A 31 -14.315 -1.121 -5.126 1.00 73.23 C ATOM 510 O ASP A 31 -14.170 -0.276 -4.237 1.00 41.21 O ATOM 511 CB ASP A 31 -16.319 -1.290 -6.676 1.00 15.24 C ATOM 512 CG ASP A 31 -17.044 -0.721 -7.905 1.00 73.31 C ATOM 513 OD1 ASP A 31 -17.586 0.403 -7.816 1.00 40.22 O ATOM 514 OD2 ASP A 31 -17.071 -1.383 -8.969 1.00 52.34 O ATOM 0 H ASP A 31 -14.337 -1.904 -8.156 1.00 23.25 H new ATOM 0 HA ASP A 31 -14.961 0.373 -6.532 1.00 61.13 H new ATOM 0 HB2 ASP A 31 -16.259 -2.375 -6.766 1.00 15.24 H new ATOM 0 HB3 ASP A 31 -16.907 -1.076 -5.783 1.00 15.24 H new ATOM 519 N LEU A 32 -13.964 -2.413 -4.963 1.00 42.31 N ATOM 520 CA LEU A 32 -13.335 -2.905 -3.715 1.00 1.22 C ATOM 521 C LEU A 32 -11.940 -2.289 -3.524 1.00 65.33 C ATOM 522 O LEU A 32 -11.449 -2.206 -2.399 1.00 4.43 O ATOM 523 CB LEU A 32 -13.233 -4.450 -3.685 1.00 64.35 C ATOM 524 CG LEU A 32 -14.574 -5.242 -3.639 1.00 12.34 C ATOM 525 CD1 LEU A 32 -14.295 -6.756 -3.536 1.00 73.43 C ATOM 526 CD2 LEU A 32 -15.472 -4.754 -2.480 1.00 24.31 C ATOM 0 H LEU A 32 -14.103 -3.132 -5.673 1.00 42.31 H new ATOM 0 HA LEU A 32 -13.980 -2.594 -2.894 1.00 1.22 H new ATOM 0 HB2 LEU A 32 -12.679 -4.771 -4.567 1.00 64.35 H new ATOM 0 HB3 LEU A 32 -12.640 -4.734 -2.815 1.00 64.35 H new ATOM 0 HG LEU A 32 -15.116 -5.057 -4.566 1.00 12.34 H new ATOM 0 HD11 LEU A 32 -15.240 -7.299 -3.505 1.00 73.43 H new ATOM 0 HD12 LEU A 32 -13.719 -7.080 -4.403 1.00 73.43 H new ATOM 0 HD13 LEU A 32 -13.729 -6.961 -2.627 1.00 73.43 H new ATOM 0 HD21 LEU A 32 -16.400 -5.325 -2.474 1.00 24.31 H new ATOM 0 HD22 LEU A 32 -14.952 -4.896 -1.532 1.00 24.31 H new ATOM 0 HD23 LEU A 32 -15.698 -3.696 -2.615 1.00 24.31 H new ATOM 538 N LEU A 33 -11.313 -1.886 -4.644 1.00 31.33 N ATOM 539 CA LEU A 33 -10.017 -1.194 -4.634 1.00 2.41 C ATOM 540 C LEU A 33 -10.163 0.185 -3.961 1.00 34.22 C ATOM 541 O LEU A 33 -9.370 0.547 -3.096 1.00 4.03 O ATOM 542 CB LEU A 33 -9.480 -1.033 -6.081 1.00 14.01 C ATOM 543 CG LEU A 33 -7.974 -0.642 -6.201 1.00 25.32 C ATOM 544 CD1 LEU A 33 -7.061 -1.811 -5.792 1.00 40.54 C ATOM 545 CD2 LEU A 33 -7.633 -0.159 -7.612 1.00 54.34 C ATOM 0 H LEU A 33 -11.692 -2.032 -5.579 1.00 31.33 H new ATOM 0 HA LEU A 33 -9.304 -1.791 -4.065 1.00 2.41 H new ATOM 0 HB2 LEU A 33 -9.637 -1.971 -6.614 1.00 14.01 H new ATOM 0 HB3 LEU A 33 -10.076 -0.274 -6.588 1.00 14.01 H new ATOM 0 HG LEU A 33 -7.797 0.184 -5.512 1.00 25.32 H new ATOM 0 HD11 LEU A 33 -6.018 -1.508 -5.886 1.00 40.54 H new ATOM 0 HD12 LEU A 33 -7.266 -2.089 -4.758 1.00 40.54 H new ATOM 0 HD13 LEU A 33 -7.251 -2.665 -6.442 1.00 40.54 H new ATOM 0 HD21 LEU A 33 -6.577 0.105 -7.661 1.00 54.34 H new ATOM 0 HD22 LEU A 33 -7.842 -0.953 -8.329 1.00 54.34 H new ATOM 0 HD23 LEU A 33 -8.237 0.716 -7.853 1.00 54.34 H new ATOM 557 N LEU A 34 -11.224 0.916 -4.361 1.00 3.44 N ATOM 558 CA LEU A 34 -11.556 2.251 -3.823 1.00 53.33 C ATOM 559 C LEU A 34 -12.155 2.170 -2.395 1.00 55.35 C ATOM 560 O LEU A 34 -12.052 3.127 -1.629 1.00 74.35 O ATOM 561 CB LEU A 34 -12.534 2.988 -4.786 1.00 61.12 C ATOM 562 CG LEU A 34 -11.937 3.460 -6.157 1.00 55.04 C ATOM 563 CD1 LEU A 34 -13.023 4.098 -7.056 1.00 61.45 C ATOM 564 CD2 LEU A 34 -10.758 4.435 -5.943 1.00 14.32 C ATOM 0 H LEU A 34 -11.880 0.593 -5.073 1.00 3.44 H new ATOM 0 HA LEU A 34 -10.628 2.819 -3.751 1.00 53.33 H new ATOM 0 HB2 LEU A 34 -13.376 2.327 -4.989 1.00 61.12 H new ATOM 0 HB3 LEU A 34 -12.931 3.861 -4.268 1.00 61.12 H new ATOM 0 HG LEU A 34 -11.557 2.577 -6.671 1.00 55.04 H new ATOM 0 HD11 LEU A 34 -12.576 4.414 -7.998 1.00 61.45 H new ATOM 0 HD12 LEU A 34 -13.807 3.367 -7.254 1.00 61.45 H new ATOM 0 HD13 LEU A 34 -13.452 4.963 -6.550 1.00 61.45 H new ATOM 0 HD21 LEU A 34 -10.363 4.746 -6.910 1.00 14.32 H new ATOM 0 HD22 LEU A 34 -11.105 5.310 -5.394 1.00 14.32 H new ATOM 0 HD23 LEU A 34 -9.973 3.937 -5.374 1.00 14.32 H new ATOM 576 N GLN A 35 -12.772 1.028 -2.044 1.00 41.24 N ATOM 577 CA GLN A 35 -13.382 0.828 -0.708 1.00 75.45 C ATOM 578 C GLN A 35 -12.286 0.504 0.336 1.00 64.33 C ATOM 579 O GLN A 35 -12.301 1.005 1.467 1.00 33.32 O ATOM 580 CB GLN A 35 -14.461 -0.297 -0.775 1.00 31.32 C ATOM 581 CG GLN A 35 -15.291 -0.494 0.514 1.00 12.21 C ATOM 582 CD GLN A 35 -16.017 0.785 0.971 1.00 34.23 C ATOM 583 OE1 GLN A 35 -15.492 1.572 1.761 1.00 33.15 O ATOM 584 NE2 GLN A 35 -17.210 1.021 0.450 1.00 34.44 N ATOM 0 H GLN A 35 -12.864 0.225 -2.666 1.00 41.24 H new ATOM 0 HA GLN A 35 -13.877 1.748 -0.396 1.00 75.45 H new ATOM 0 HB2 GLN A 35 -15.143 -0.075 -1.596 1.00 31.32 H new ATOM 0 HB3 GLN A 35 -13.967 -1.238 -1.016 1.00 31.32 H new ATOM 0 HG2 GLN A 35 -16.026 -1.281 0.348 1.00 12.21 H new ATOM 0 HG3 GLN A 35 -14.633 -0.836 1.313 1.00 12.21 H new ATOM 0 HE21 GLN A 35 -17.623 0.354 -0.202 1.00 34.44 H new ATOM 0 HE22 GLN A 35 -17.717 1.870 0.700 1.00 34.44 H new ATOM 593 N GLN A 36 -11.328 -0.328 -0.087 1.00 31.35 N ATOM 594 CA GLN A 36 -10.150 -0.722 0.711 1.00 45.23 C ATOM 595 C GLN A 36 -8.978 0.273 0.536 1.00 52.12 C ATOM 596 O GLN A 36 -7.970 0.133 1.229 1.00 12.44 O ATOM 597 CB GLN A 36 -9.731 -2.173 0.372 1.00 44.33 C ATOM 598 CG GLN A 36 -10.676 -3.269 0.920 1.00 5.32 C ATOM 599 CD GLN A 36 -10.419 -4.662 0.325 1.00 1.54 C ATOM 600 OE1 GLN A 36 -10.113 -4.725 -0.962 1.00 20.24 O flip ATOM 601 NE2 GLN A 36 -10.564 -5.680 1.005 1.00 41.35 N flip ATOM 0 H GLN A 36 -11.345 -0.758 -1.012 1.00 31.35 H new ATOM 0 HA GLN A 36 -10.428 -0.689 1.764 1.00 45.23 H new ATOM 0 HB2 GLN A 36 -9.671 -2.274 -0.712 1.00 44.33 H new ATOM 0 HB3 GLN A 36 -8.729 -2.348 0.765 1.00 44.33 H new ATOM 0 HG2 GLN A 36 -10.568 -3.321 2.003 1.00 5.32 H new ATOM 0 HG3 GLN A 36 -11.708 -2.982 0.716 1.00 5.32 H new ATOM 0 HE21 GLN A 36 -10.800 -5.603 1.994 1.00 41.35 H new ATOM 0 HE22 GLN A 36 -10.448 -6.599 0.578 1.00 41.35 H new ATOM 610 N GLU A 37 -9.094 1.209 -0.444 1.00 55.35 N ATOM 611 CA GLU A 37 -8.152 2.348 -0.630 1.00 31.11 C ATOM 612 C GLU A 37 -7.842 3.027 0.702 1.00 11.20 C ATOM 613 O GLU A 37 -6.699 3.023 1.174 1.00 73.42 O ATOM 614 CB GLU A 37 -8.789 3.386 -1.612 1.00 30.14 C ATOM 615 CG GLU A 37 -8.052 4.737 -1.742 1.00 73.41 C ATOM 616 CD GLU A 37 -8.772 5.746 -2.654 1.00 51.41 C ATOM 617 OE1 GLU A 37 -9.638 6.506 -2.151 1.00 12.43 O ATOM 618 OE2 GLU A 37 -8.463 5.804 -3.859 1.00 54.04 O ATOM 0 H GLU A 37 -9.848 1.195 -1.131 1.00 55.35 H new ATOM 0 HA GLU A 37 -7.219 1.965 -1.042 1.00 31.11 H new ATOM 0 HB2 GLU A 37 -8.849 2.931 -2.601 1.00 30.14 H new ATOM 0 HB3 GLU A 37 -9.811 3.582 -1.289 1.00 30.14 H new ATOM 0 HG2 GLU A 37 -7.936 5.175 -0.751 1.00 73.41 H new ATOM 0 HG3 GLU A 37 -7.050 4.559 -2.131 1.00 73.41 H new ATOM 625 N VAL A 38 -8.907 3.536 1.329 1.00 2.14 N ATOM 626 CA VAL A 38 -8.825 4.300 2.572 1.00 72.43 C ATOM 627 C VAL A 38 -8.333 3.439 3.749 1.00 2.23 C ATOM 628 O VAL A 38 -7.693 3.955 4.660 1.00 44.44 O ATOM 629 CB VAL A 38 -10.202 4.969 2.908 1.00 63.44 C ATOM 630 CG1 VAL A 38 -10.585 6.011 1.828 1.00 75.41 C ATOM 631 CG2 VAL A 38 -11.320 3.915 3.094 1.00 23.13 C ATOM 0 H VAL A 38 -9.860 3.426 0.982 1.00 2.14 H new ATOM 0 HA VAL A 38 -8.087 5.087 2.418 1.00 72.43 H new ATOM 0 HB VAL A 38 -10.093 5.491 3.858 1.00 63.44 H new ATOM 0 HG11 VAL A 38 -11.544 6.462 2.082 1.00 75.41 H new ATOM 0 HG12 VAL A 38 -9.820 6.786 1.783 1.00 75.41 H new ATOM 0 HG13 VAL A 38 -10.661 5.519 0.858 1.00 75.41 H new ATOM 0 HG21 VAL A 38 -12.259 4.418 3.326 1.00 23.13 H new ATOM 0 HG22 VAL A 38 -11.434 3.339 2.176 1.00 23.13 H new ATOM 0 HG23 VAL A 38 -11.056 3.245 3.912 1.00 23.13 H new ATOM 641 N SER A 39 -8.623 2.123 3.692 1.00 12.12 N ATOM 642 CA SER A 39 -8.182 1.152 4.706 1.00 31.32 C ATOM 643 C SER A 39 -6.647 0.960 4.641 1.00 32.10 C ATOM 644 O SER A 39 -5.958 0.979 5.670 1.00 61.41 O ATOM 645 CB SER A 39 -8.915 -0.194 4.473 1.00 23.34 C ATOM 646 OG SER A 39 -10.323 -0.005 4.370 1.00 4.13 O ATOM 0 H SER A 39 -9.171 1.706 2.939 1.00 12.12 H new ATOM 0 HA SER A 39 -8.429 1.527 5.699 1.00 31.32 H new ATOM 0 HB2 SER A 39 -8.541 -0.661 3.562 1.00 23.34 H new ATOM 0 HB3 SER A 39 -8.697 -0.877 5.294 1.00 23.34 H new ATOM 0 HG SER A 39 -10.759 -0.870 4.222 1.00 4.13 H new ATOM 652 N TYR A 40 -6.136 0.819 3.400 1.00 52.14 N ATOM 653 CA TYR A 40 -4.709 0.602 3.113 1.00 74.41 C ATOM 654 C TYR A 40 -3.888 1.828 3.512 1.00 54.54 C ATOM 655 O TYR A 40 -2.871 1.701 4.197 1.00 53.03 O ATOM 656 CB TYR A 40 -4.521 0.274 1.609 1.00 52.24 C ATOM 657 CG TYR A 40 -3.067 0.029 1.152 1.00 13.25 C ATOM 658 CD1 TYR A 40 -2.457 0.850 0.204 1.00 1.43 C ATOM 659 CD2 TYR A 40 -2.319 -1.044 1.644 1.00 24.42 C ATOM 660 CE1 TYR A 40 -1.169 0.611 -0.239 1.00 31.23 C ATOM 661 CE2 TYR A 40 -1.026 -1.277 1.207 1.00 75.43 C ATOM 662 CZ TYR A 40 -0.459 -0.450 0.266 1.00 12.21 C ATOM 663 OH TYR A 40 0.826 -0.695 -0.182 1.00 1.01 O ATOM 0 H TYR A 40 -6.714 0.854 2.560 1.00 52.14 H new ATOM 0 HA TYR A 40 -4.352 -0.243 3.701 1.00 74.41 H new ATOM 0 HB2 TYR A 40 -5.110 -0.612 1.373 1.00 52.24 H new ATOM 0 HB3 TYR A 40 -4.933 1.096 1.023 1.00 52.24 H new ATOM 0 HD1 TYR A 40 -3.003 1.692 -0.194 1.00 1.43 H new ATOM 0 HD2 TYR A 40 -2.757 -1.703 2.378 1.00 24.42 H new ATOM 0 HE1 TYR A 40 -0.723 1.257 -0.980 1.00 31.23 H new ATOM 0 HE2 TYR A 40 -0.463 -2.108 1.605 1.00 75.43 H new ATOM 0 HH TYR A 40 1.152 -1.535 0.204 1.00 1.01 H new ATOM 673 N LEU A 41 -4.371 3.012 3.099 1.00 24.14 N ATOM 674 CA LEU A 41 -3.690 4.291 3.354 1.00 53.42 C ATOM 675 C LEU A 41 -3.731 4.648 4.860 1.00 44.33 C ATOM 676 O LEU A 41 -2.770 5.217 5.391 1.00 21.33 O ATOM 677 CB LEU A 41 -4.318 5.416 2.487 1.00 35.42 C ATOM 678 CG LEU A 41 -4.335 5.168 0.940 1.00 11.53 C ATOM 679 CD1 LEU A 41 -4.998 6.348 0.192 1.00 45.45 C ATOM 680 CD2 LEU A 41 -2.917 4.876 0.391 1.00 12.32 C ATOM 0 H LEU A 41 -5.244 3.108 2.580 1.00 24.14 H new ATOM 0 HA LEU A 41 -2.642 4.191 3.071 1.00 53.42 H new ATOM 0 HB2 LEU A 41 -5.344 5.573 2.820 1.00 35.42 H new ATOM 0 HB3 LEU A 41 -3.775 6.341 2.680 1.00 35.42 H new ATOM 0 HG LEU A 41 -4.939 4.279 0.759 1.00 11.53 H new ATOM 0 HD11 LEU A 41 -4.995 6.147 -0.879 1.00 45.45 H new ATOM 0 HD12 LEU A 41 -6.025 6.466 0.536 1.00 45.45 H new ATOM 0 HD13 LEU A 41 -4.441 7.264 0.391 1.00 45.45 H new ATOM 0 HD21 LEU A 41 -2.971 4.709 -0.685 1.00 12.32 H new ATOM 0 HD22 LEU A 41 -2.266 5.726 0.595 1.00 12.32 H new ATOM 0 HD23 LEU A 41 -2.515 3.987 0.876 1.00 12.32 H new ATOM 692 N GLN A 42 -4.844 4.279 5.537 1.00 13.32 N ATOM 693 CA GLN A 42 -4.983 4.435 7.007 1.00 22.31 C ATOM 694 C GLN A 42 -3.940 3.579 7.748 1.00 12.14 C ATOM 695 O GLN A 42 -3.289 4.048 8.694 1.00 35.22 O ATOM 696 CB GLN A 42 -6.416 4.034 7.464 1.00 33.30 C ATOM 697 CG GLN A 42 -6.672 4.156 8.985 1.00 0.53 C ATOM 698 CD GLN A 42 -8.078 3.735 9.437 1.00 64.41 C ATOM 699 OE1 GLN A 42 -8.248 3.213 10.540 1.00 23.50 O ATOM 700 NE2 GLN A 42 -9.098 3.991 8.626 1.00 24.11 N ATOM 0 H GLN A 42 -5.663 3.869 5.087 1.00 13.32 H new ATOM 0 HA GLN A 42 -4.813 5.483 7.252 1.00 22.31 H new ATOM 0 HB2 GLN A 42 -7.138 4.659 6.937 1.00 33.30 H new ATOM 0 HB3 GLN A 42 -6.604 3.004 7.160 1.00 33.30 H new ATOM 0 HG2 GLN A 42 -5.938 3.547 9.513 1.00 0.53 H new ATOM 0 HG3 GLN A 42 -6.503 5.190 9.286 1.00 0.53 H new ATOM 0 HE21 GLN A 42 -8.931 4.424 7.718 1.00 24.11 H new ATOM 0 HE22 GLN A 42 -10.048 3.755 8.912 1.00 24.11 H new ATOM 709 N SER A 43 -3.794 2.318 7.296 1.00 50.53 N ATOM 710 CA SER A 43 -2.831 1.365 7.872 1.00 43.13 C ATOM 711 C SER A 43 -1.370 1.840 7.656 1.00 35.23 C ATOM 712 O SER A 43 -0.516 1.680 8.543 1.00 14.41 O ATOM 713 CB SER A 43 -3.072 -0.031 7.270 1.00 35.11 C ATOM 714 OG SER A 43 -4.411 -0.460 7.495 1.00 3.31 O ATOM 0 H SER A 43 -4.339 1.935 6.524 1.00 50.53 H new ATOM 0 HA SER A 43 -2.984 1.311 8.950 1.00 43.13 H new ATOM 0 HB2 SER A 43 -2.868 -0.009 6.199 1.00 35.11 H new ATOM 0 HB3 SER A 43 -2.378 -0.746 7.712 1.00 35.11 H new ATOM 0 HG SER A 43 -5.011 0.000 6.872 1.00 3.31 H new ATOM 720 N ILE A 44 -1.122 2.450 6.475 1.00 22.44 N ATOM 721 CA ILE A 44 0.158 3.100 6.120 1.00 12.43 C ATOM 722 C ILE A 44 0.513 4.196 7.147 1.00 63.34 C ATOM 723 O ILE A 44 1.625 4.215 7.708 1.00 42.34 O ATOM 724 CB ILE A 44 0.055 3.708 4.655 1.00 72.34 C ATOM 725 CG1 ILE A 44 0.173 2.568 3.593 1.00 65.32 C ATOM 726 CG2 ILE A 44 1.071 4.854 4.391 1.00 31.02 C ATOM 727 CD1 ILE A 44 0.000 3.009 2.150 1.00 63.43 C ATOM 0 H ILE A 44 -1.817 2.505 5.731 1.00 22.44 H new ATOM 0 HA ILE A 44 0.955 2.357 6.138 1.00 12.43 H new ATOM 0 HB ILE A 44 -0.927 4.172 4.566 1.00 72.34 H new ATOM 0 HG12 ILE A 44 1.150 2.096 3.697 1.00 65.32 H new ATOM 0 HG13 ILE A 44 -0.575 1.807 3.816 1.00 65.32 H new ATOM 0 HG21 ILE A 44 0.946 5.223 3.373 1.00 31.02 H new ATOM 0 HG22 ILE A 44 0.894 5.666 5.096 1.00 31.02 H new ATOM 0 HG23 ILE A 44 2.086 4.477 4.519 1.00 31.02 H new ATOM 0 HD11 ILE A 44 0.099 2.146 1.491 1.00 63.43 H new ATOM 0 HD12 ILE A 44 -0.987 3.452 2.021 1.00 63.43 H new ATOM 0 HD13 ILE A 44 0.764 3.746 1.901 1.00 63.43 H new ATOM 739 N GLU A 45 -0.477 5.080 7.392 1.00 63.12 N ATOM 740 CA GLU A 45 -0.347 6.208 8.326 1.00 23.12 C ATOM 741 C GLU A 45 0.016 5.706 9.729 1.00 22.13 C ATOM 742 O GLU A 45 1.074 6.057 10.256 1.00 44.22 O ATOM 743 CB GLU A 45 -1.662 7.043 8.349 1.00 4.14 C ATOM 744 CG GLU A 45 -1.938 7.816 7.044 1.00 73.13 C ATOM 745 CD GLU A 45 -3.305 8.510 7.039 1.00 71.44 C ATOM 746 OE1 GLU A 45 -4.188 8.122 6.243 1.00 22.44 O ATOM 747 OE2 GLU A 45 -3.507 9.448 7.844 1.00 74.14 O ATOM 0 H GLU A 45 -1.391 5.027 6.943 1.00 63.12 H new ATOM 0 HA GLU A 45 0.460 6.856 7.985 1.00 23.12 H new ATOM 0 HB2 GLU A 45 -2.500 6.376 8.548 1.00 4.14 H new ATOM 0 HB3 GLU A 45 -1.616 7.752 9.176 1.00 4.14 H new ATOM 0 HG2 GLU A 45 -1.157 8.562 6.898 1.00 73.13 H new ATOM 0 HG3 GLU A 45 -1.883 7.127 6.201 1.00 73.13 H new ATOM 754 N THR A 46 -0.821 4.801 10.275 1.00 30.55 N ATOM 755 CA THR A 46 -0.700 4.356 11.671 1.00 42.32 C ATOM 756 C THR A 46 0.601 3.549 11.910 1.00 52.10 C ATOM 757 O THR A 46 1.203 3.657 12.986 1.00 2.45 O ATOM 758 CB THR A 46 -1.967 3.554 12.146 1.00 31.53 C ATOM 759 OG1 THR A 46 -1.922 3.359 13.564 1.00 33.11 O ATOM 760 CG2 THR A 46 -2.107 2.185 11.467 1.00 43.44 C ATOM 0 H THR A 46 -1.589 4.365 9.765 1.00 30.55 H new ATOM 0 HA THR A 46 -0.640 5.257 12.282 1.00 42.32 H new ATOM 0 HB THR A 46 -2.831 4.155 11.861 1.00 31.53 H new ATOM 0 HG1 THR A 46 -2.715 2.860 13.851 1.00 33.11 H new ATOM 0 HG21 THR A 46 -3.001 1.684 11.839 1.00 43.44 H new ATOM 0 HG22 THR A 46 -2.189 2.320 10.389 1.00 43.44 H new ATOM 0 HG23 THR A 46 -1.231 1.577 11.690 1.00 43.44 H new ATOM 768 N VAL A 47 1.073 2.779 10.897 1.00 25.24 N ATOM 769 CA VAL A 47 2.324 2.005 11.037 1.00 34.25 C ATOM 770 C VAL A 47 3.555 2.936 10.965 1.00 33.03 C ATOM 771 O VAL A 47 4.570 2.689 11.623 1.00 25.33 O ATOM 772 CB VAL A 47 2.457 0.858 9.965 1.00 20.01 C ATOM 773 CG1 VAL A 47 2.916 1.387 8.584 1.00 41.10 C ATOM 774 CG2 VAL A 47 3.389 -0.260 10.471 1.00 2.55 C ATOM 0 H VAL A 47 0.613 2.681 9.992 1.00 25.24 H new ATOM 0 HA VAL A 47 2.283 1.530 12.017 1.00 34.25 H new ATOM 0 HB VAL A 47 1.461 0.438 9.822 1.00 20.01 H new ATOM 0 HG11 VAL A 47 2.991 0.556 7.883 1.00 41.10 H new ATOM 0 HG12 VAL A 47 2.191 2.111 8.212 1.00 41.10 H new ATOM 0 HG13 VAL A 47 3.889 1.867 8.684 1.00 41.10 H new ATOM 0 HG21 VAL A 47 3.465 -1.041 9.714 1.00 2.55 H new ATOM 0 HG22 VAL A 47 4.379 0.153 10.668 1.00 2.55 H new ATOM 0 HG23 VAL A 47 2.983 -0.684 11.390 1.00 2.55 H new ATOM 784 N MET A 48 3.441 4.009 10.150 1.00 40.22 N ATOM 785 CA MET A 48 4.521 4.995 9.980 1.00 63.32 C ATOM 786 C MET A 48 4.586 5.930 11.210 1.00 2.31 C ATOM 787 O MET A 48 5.631 6.518 11.493 1.00 54.32 O ATOM 788 CB MET A 48 4.332 5.770 8.645 1.00 21.42 C ATOM 789 CG MET A 48 5.507 6.681 8.266 1.00 0.31 C ATOM 790 SD MET A 48 5.404 7.324 6.578 1.00 25.14 S ATOM 791 CE MET A 48 5.535 5.820 5.598 1.00 4.50 C ATOM 0 H MET A 48 2.606 4.210 9.600 1.00 40.22 H new ATOM 0 HA MET A 48 5.481 4.483 9.918 1.00 63.32 H new ATOM 0 HB2 MET A 48 4.173 5.051 7.842 1.00 21.42 H new ATOM 0 HB3 MET A 48 3.428 6.375 8.716 1.00 21.42 H new ATOM 0 HG2 MET A 48 5.548 7.518 8.963 1.00 0.31 H new ATOM 0 HG3 MET A 48 6.438 6.126 8.379 1.00 0.31 H new ATOM 0 HE1 MET A 48 5.857 6.071 4.587 1.00 4.50 H new ATOM 0 HE2 MET A 48 6.263 5.150 6.055 1.00 4.50 H new ATOM 0 HE3 MET A 48 4.564 5.327 5.557 1.00 4.50 H new ATOM 801 N GLU A 49 3.465 6.028 11.952 1.00 41.55 N ATOM 802 CA GLU A 49 3.418 6.704 13.261 1.00 70.32 C ATOM 803 C GLU A 49 4.052 5.821 14.341 1.00 52.43 C ATOM 804 O GLU A 49 4.657 6.328 15.295 1.00 41.50 O ATOM 805 CB GLU A 49 1.958 7.054 13.657 1.00 0.13 C ATOM 806 CG GLU A 49 1.256 8.042 12.709 1.00 5.10 C ATOM 807 CD GLU A 49 2.002 9.374 12.560 1.00 63.40 C ATOM 808 OE1 GLU A 49 2.741 9.558 11.567 1.00 52.51 O ATOM 809 OE2 GLU A 49 1.850 10.248 13.442 1.00 71.50 O ATOM 0 H GLU A 49 2.568 5.641 11.660 1.00 41.55 H new ATOM 0 HA GLU A 49 3.985 7.631 13.179 1.00 70.32 H new ATOM 0 HB2 GLU A 49 1.376 6.133 13.697 1.00 0.13 H new ATOM 0 HB3 GLU A 49 1.959 7.474 14.663 1.00 0.13 H new ATOM 0 HG2 GLU A 49 1.151 7.580 11.727 1.00 5.10 H new ATOM 0 HG3 GLU A 49 0.249 8.237 13.079 1.00 5.10 H new ATOM 816 N LYS A 50 3.901 4.497 14.181 1.00 24.23 N ATOM 817 CA LYS A 50 4.462 3.526 15.116 1.00 51.41 C ATOM 818 C LYS A 50 5.985 3.431 14.903 1.00 45.11 C ATOM 819 O LYS A 50 6.456 2.835 13.926 1.00 14.33 O ATOM 820 CB LYS A 50 3.782 2.131 14.963 1.00 54.23 C ATOM 821 CG LYS A 50 4.189 1.040 16.006 1.00 33.34 C ATOM 822 CD LYS A 50 3.830 1.405 17.486 1.00 15.10 C ATOM 823 CE LYS A 50 4.921 2.222 18.221 1.00 1.41 C ATOM 824 NZ LYS A 50 4.451 2.774 19.522 1.00 51.32 N ATOM 0 H LYS A 50 3.390 4.078 13.404 1.00 24.23 H new ATOM 0 HA LYS A 50 4.267 3.864 16.134 1.00 51.41 H new ATOM 0 HB2 LYS A 50 2.702 2.270 15.018 1.00 54.23 H new ATOM 0 HB3 LYS A 50 4.004 1.750 13.966 1.00 54.23 H new ATOM 0 HG2 LYS A 50 3.698 0.102 15.745 1.00 33.34 H new ATOM 0 HG3 LYS A 50 5.263 0.868 15.936 1.00 33.34 H new ATOM 0 HD2 LYS A 50 2.900 1.973 17.493 1.00 15.10 H new ATOM 0 HD3 LYS A 50 3.645 0.485 18.041 1.00 15.10 H new ATOM 0 HE2 LYS A 50 5.790 1.587 18.394 1.00 1.41 H new ATOM 0 HE3 LYS A 50 5.248 3.041 17.581 1.00 1.41 H new ATOM 0 HZ1 LYS A 50 5.221 3.311 19.970 1.00 51.32 H new ATOM 0 HZ2 LYS A 50 3.639 3.403 19.359 1.00 51.32 H new ATOM 0 HZ3 LYS A 50 4.164 1.994 20.147 1.00 51.32 H new ATOM 838 N GLN A 51 6.731 4.087 15.812 1.00 22.12 N ATOM 839 CA GLN A 51 8.193 4.006 15.881 1.00 71.31 C ATOM 840 C GLN A 51 8.619 2.568 16.198 1.00 61.33 C ATOM 841 O GLN A 51 8.040 1.917 17.082 1.00 30.33 O ATOM 842 CB GLN A 51 8.728 4.983 16.965 1.00 14.12 C ATOM 843 CG GLN A 51 8.487 6.475 16.663 1.00 0.23 C ATOM 844 CD GLN A 51 9.292 6.976 15.465 1.00 55.42 C ATOM 845 OE1 GLN A 51 8.832 6.939 14.327 1.00 64.15 O ATOM 846 NE2 GLN A 51 10.517 7.407 15.709 1.00 21.40 N ATOM 0 H GLN A 51 6.326 4.694 16.525 1.00 22.12 H new ATOM 0 HA GLN A 51 8.615 4.292 14.917 1.00 71.31 H new ATOM 0 HB2 GLN A 51 8.259 4.739 17.918 1.00 14.12 H new ATOM 0 HB3 GLN A 51 9.799 4.819 17.086 1.00 14.12 H new ATOM 0 HG2 GLN A 51 7.426 6.636 16.474 1.00 0.23 H new ATOM 0 HG3 GLN A 51 8.747 7.065 17.542 1.00 0.23 H new ATOM 0 HE21 GLN A 51 10.870 7.425 16.666 1.00 21.40 H new ATOM 0 HE22 GLN A 51 11.110 7.721 14.941 1.00 21.40 H new ATOM 855 N THR A 52 9.611 2.089 15.449 1.00 74.24 N ATOM 856 CA THR A 52 10.168 0.747 15.604 1.00 43.02 C ATOM 857 C THR A 52 10.974 0.669 16.925 1.00 34.31 C ATOM 858 O THR A 52 11.682 1.631 17.240 1.00 50.22 O ATOM 859 CB THR A 52 11.092 0.424 14.388 1.00 2.05 C ATOM 860 OG1 THR A 52 10.421 0.775 13.167 1.00 60.54 O ATOM 861 CG2 THR A 52 11.481 -1.061 14.347 1.00 5.52 C ATOM 0 H THR A 52 10.056 2.630 14.708 1.00 74.24 H new ATOM 0 HA THR A 52 9.360 0.016 15.640 1.00 43.02 H new ATOM 0 HB THR A 52 12.005 1.009 14.499 1.00 2.05 H new ATOM 0 HG1 THR A 52 9.785 0.069 12.929 1.00 60.54 H new ATOM 0 HG21 THR A 52 12.124 -1.245 13.486 1.00 5.52 H new ATOM 0 HG22 THR A 52 12.014 -1.323 15.261 1.00 5.52 H new ATOM 0 HG23 THR A 52 10.581 -1.671 14.265 1.00 5.52 H new ATOM 869 N PRO A 53 10.857 -0.442 17.737 1.00 32.33 N ATOM 870 CA PRO A 53 11.676 -0.623 18.972 1.00 71.14 C ATOM 871 C PRO A 53 13.207 -0.518 18.699 1.00 13.41 C ATOM 872 O PRO A 53 13.652 -0.825 17.580 1.00 64.24 O ATOM 873 CB PRO A 53 11.282 -2.053 19.452 1.00 20.12 C ATOM 874 CG PRO A 53 9.916 -2.285 18.883 1.00 53.12 C ATOM 875 CD PRO A 53 9.905 -1.574 17.547 1.00 61.45 C ATOM 0 HA PRO A 53 11.483 0.154 19.712 1.00 71.14 H new ATOM 0 HB2 PRO A 53 11.991 -2.800 19.095 1.00 20.12 H new ATOM 0 HB3 PRO A 53 11.273 -2.117 20.540 1.00 20.12 H new ATOM 0 HG2 PRO A 53 9.718 -3.350 18.762 1.00 53.12 H new ATOM 0 HG3 PRO A 53 9.144 -1.890 19.543 1.00 53.12 H new ATOM 0 HD2 PRO A 53 10.224 -2.234 16.740 1.00 61.45 H new ATOM 0 HD3 PRO A 53 8.907 -1.218 17.292 1.00 61.45 H new ATOM 883 N PRO A 54 14.035 -0.102 19.725 1.00 51.34 N ATOM 884 CA PRO A 54 15.510 0.064 19.571 1.00 13.42 C ATOM 885 C PRO A 54 16.200 -1.240 19.133 1.00 51.25 C ATOM 886 O PRO A 54 16.904 -1.278 18.115 1.00 14.44 O ATOM 887 CB PRO A 54 15.986 0.504 20.986 1.00 22.04 C ATOM 888 CG PRO A 54 14.768 1.084 21.635 1.00 22.21 C ATOM 889 CD PRO A 54 13.599 0.278 21.102 1.00 63.21 C ATOM 0 HA PRO A 54 15.760 0.786 18.794 1.00 13.42 H new ATOM 0 HB2 PRO A 54 16.372 -0.342 21.554 1.00 22.04 H new ATOM 0 HB3 PRO A 54 16.789 1.239 20.923 1.00 22.04 H new ATOM 0 HG2 PRO A 54 14.831 1.013 22.721 1.00 22.21 H new ATOM 0 HG3 PRO A 54 14.659 2.141 21.391 1.00 22.21 H new ATOM 0 HD2 PRO A 54 13.403 -0.600 21.717 1.00 63.21 H new ATOM 0 HD3 PRO A 54 12.681 0.866 21.084 1.00 63.21 H new ATOM 897 N GLY A 55 15.963 -2.307 19.914 1.00 51.44 N ATOM 898 CA GLY A 55 16.459 -3.641 19.607 1.00 73.10 C ATOM 899 C GLY A 55 15.511 -4.387 18.686 1.00 75.32 C ATOM 900 O GLY A 55 14.851 -5.347 19.109 1.00 60.50 O ATOM 0 H GLY A 55 15.420 -2.259 20.776 1.00 51.44 H new ATOM 0 HA2 GLY A 55 17.440 -3.567 19.138 1.00 73.10 H new ATOM 0 HA3 GLY A 55 16.589 -4.204 20.531 1.00 73.10 H new ATOM 904 N ILE A 56 15.407 -3.909 17.427 1.00 15.45 N ATOM 905 CA ILE A 56 14.620 -4.573 16.389 1.00 2.15 C ATOM 906 C ILE A 56 15.358 -5.868 15.960 1.00 43.52 C ATOM 907 O ILE A 56 16.217 -5.874 15.066 1.00 44.12 O ATOM 908 CB ILE A 56 14.288 -3.588 15.180 1.00 34.14 C ATOM 909 CG1 ILE A 56 13.393 -4.272 14.096 1.00 23.21 C ATOM 910 CG2 ILE A 56 15.550 -2.964 14.535 1.00 22.25 C ATOM 911 CD1 ILE A 56 12.025 -4.724 14.588 1.00 1.14 C ATOM 0 H ILE A 56 15.868 -3.055 17.112 1.00 15.45 H new ATOM 0 HA ILE A 56 13.645 -4.860 16.782 1.00 2.15 H new ATOM 0 HB ILE A 56 13.722 -2.768 15.622 1.00 34.14 H new ATOM 0 HG12 ILE A 56 13.254 -3.576 13.268 1.00 23.21 H new ATOM 0 HG13 ILE A 56 13.925 -5.137 13.699 1.00 23.21 H new ATOM 0 HG21 ILE A 56 15.254 -2.304 13.719 1.00 22.25 H new ATOM 0 HG22 ILE A 56 16.096 -2.391 15.284 1.00 22.25 H new ATOM 0 HG23 ILE A 56 16.190 -3.756 14.147 1.00 22.25 H new ATOM 0 HD11 ILE A 56 11.477 -5.186 13.767 1.00 1.14 H new ATOM 0 HD12 ILE A 56 12.149 -5.447 15.394 1.00 1.14 H new ATOM 0 HD13 ILE A 56 11.468 -3.863 14.956 1.00 1.14 H new ATOM 923 N THR A 57 15.062 -6.951 16.710 1.00 23.51 N ATOM 924 CA THR A 57 15.713 -8.262 16.554 1.00 53.22 C ATOM 925 C THR A 57 15.433 -8.885 15.177 1.00 63.44 C ATOM 926 O THR A 57 14.415 -8.577 14.550 1.00 63.04 O ATOM 927 CB THR A 57 15.286 -9.238 17.698 1.00 44.31 C ATOM 928 OG1 THR A 57 15.978 -10.487 17.564 1.00 53.52 O ATOM 929 CG2 THR A 57 13.772 -9.497 17.725 1.00 24.21 C ATOM 0 H THR A 57 14.357 -6.936 17.447 1.00 23.51 H new ATOM 0 HA THR A 57 16.788 -8.095 16.624 1.00 53.22 H new ATOM 0 HB THR A 57 15.553 -8.755 18.638 1.00 44.31 H new ATOM 0 HG1 THR A 57 15.705 -11.091 18.286 1.00 53.52 H new ATOM 0 HG21 THR A 57 13.534 -10.181 18.539 1.00 24.21 H new ATOM 0 HG22 THR A 57 13.244 -8.555 17.877 1.00 24.21 H new ATOM 0 HG23 THR A 57 13.461 -9.938 16.778 1.00 24.21 H new ATOM 937 N ARG A 58 16.354 -9.782 14.748 1.00 73.41 N ATOM 938 CA ARG A 58 16.366 -10.391 13.401 1.00 62.12 C ATOM 939 C ARG A 58 15.009 -11.024 13.053 1.00 75.32 C ATOM 940 O ARG A 58 14.552 -10.891 11.924 1.00 53.42 O ATOM 941 CB ARG A 58 17.514 -11.448 13.302 1.00 73.11 C ATOM 942 CG ARG A 58 17.891 -11.952 11.860 1.00 2.02 C ATOM 943 CD ARG A 58 17.327 -13.349 11.490 1.00 51.53 C ATOM 944 NE ARG A 58 15.878 -13.351 11.202 1.00 21.12 N ATOM 945 CZ ARG A 58 15.039 -14.388 11.408 1.00 53.52 C ATOM 946 NH1 ARG A 58 15.482 -15.533 11.928 1.00 22.22 N ATOM 947 NH2 ARG A 58 13.755 -14.272 11.080 1.00 65.53 N ATOM 0 H ARG A 58 17.120 -10.106 15.339 1.00 73.41 H new ATOM 0 HA ARG A 58 16.549 -9.600 12.674 1.00 62.12 H new ATOM 0 HB2 ARG A 58 18.408 -11.022 13.758 1.00 73.11 H new ATOM 0 HB3 ARG A 58 17.232 -12.313 13.902 1.00 73.11 H new ATOM 0 HG2 ARG A 58 17.531 -11.226 11.131 1.00 2.02 H new ATOM 0 HG3 ARG A 58 18.977 -11.980 11.773 1.00 2.02 H new ATOM 0 HD2 ARG A 58 17.861 -13.727 10.618 1.00 51.53 H new ATOM 0 HD3 ARG A 58 17.526 -14.039 12.310 1.00 51.53 H new ATOM 0 HE ARG A 58 15.478 -12.496 10.815 1.00 21.12 H new ATOM 0 HH11 ARG A 58 16.466 -15.634 12.176 1.00 22.22 H new ATOM 0 HH12 ARG A 58 14.837 -16.308 12.078 1.00 22.22 H new ATOM 0 HH21 ARG A 58 13.409 -13.402 10.675 1.00 65.53 H new ATOM 0 HH22 ARG A 58 13.117 -15.053 11.234 1.00 65.53 H new ATOM 961 N SER A 59 14.374 -11.689 14.039 1.00 41.43 N ATOM 962 CA SER A 59 13.082 -12.375 13.855 1.00 52.32 C ATOM 963 C SER A 59 11.969 -11.390 13.410 1.00 41.32 C ATOM 964 O SER A 59 11.390 -11.548 12.314 1.00 2.11 O ATOM 965 CB SER A 59 12.709 -13.114 15.158 1.00 55.55 C ATOM 966 OG SER A 59 12.684 -12.228 16.262 1.00 70.12 O ATOM 0 H SER A 59 14.744 -11.765 14.986 1.00 41.43 H new ATOM 0 HA SER A 59 13.179 -13.106 13.053 1.00 52.32 H new ATOM 0 HB2 SER A 59 11.733 -13.585 15.045 1.00 55.55 H new ATOM 0 HB3 SER A 59 13.428 -13.912 15.345 1.00 55.55 H new ATOM 0 HG SER A 59 12.443 -12.723 17.073 1.00 70.12 H new ATOM 972 N ILE A 60 11.743 -10.337 14.239 1.00 35.30 N ATOM 973 CA ILE A 60 10.723 -9.305 13.980 1.00 11.31 C ATOM 974 C ILE A 60 11.048 -8.591 12.660 1.00 52.20 C ATOM 975 O ILE A 60 10.225 -8.547 11.762 1.00 21.22 O ATOM 976 CB ILE A 60 10.652 -8.220 15.126 1.00 54.33 C ATOM 977 CG1 ILE A 60 10.401 -8.867 16.518 1.00 14.31 C ATOM 978 CG2 ILE A 60 9.558 -7.165 14.817 1.00 0.32 C ATOM 979 CD1 ILE A 60 10.445 -7.870 17.672 1.00 12.31 C ATOM 0 H ILE A 60 12.266 -10.187 15.102 1.00 35.30 H new ATOM 0 HA ILE A 60 9.759 -9.812 13.933 1.00 11.31 H new ATOM 0 HB ILE A 60 11.621 -7.722 15.161 1.00 54.33 H new ATOM 0 HG12 ILE A 60 9.428 -9.359 16.511 1.00 14.31 H new ATOM 0 HG13 ILE A 60 11.148 -9.642 16.689 1.00 14.31 H new ATOM 0 HG21 ILE A 60 9.527 -6.428 15.619 1.00 0.32 H new ATOM 0 HG22 ILE A 60 9.788 -6.667 13.875 1.00 0.32 H new ATOM 0 HG23 ILE A 60 8.589 -7.658 14.739 1.00 0.32 H new ATOM 0 HD11 ILE A 60 10.262 -8.392 18.611 1.00 12.31 H new ATOM 0 HD12 ILE A 60 11.426 -7.396 17.706 1.00 12.31 H new ATOM 0 HD13 ILE A 60 9.679 -7.109 17.525 1.00 12.31 H new ATOM 991 N GLN A 61 12.294 -8.078 12.580 1.00 12.33 N ATOM 992 CA GLN A 61 12.815 -7.310 11.434 1.00 33.14 C ATOM 993 C GLN A 61 12.616 -8.047 10.099 1.00 60.15 C ATOM 994 O GLN A 61 12.252 -7.427 9.112 1.00 2.21 O ATOM 995 CB GLN A 61 14.322 -7.013 11.639 1.00 10.34 C ATOM 996 CG GLN A 61 14.992 -6.216 10.499 1.00 12.13 C ATOM 997 CD GLN A 61 16.516 -6.101 10.620 1.00 44.50 C ATOM 998 OE1 GLN A 61 17.177 -7.125 11.165 1.00 34.34 O flip ATOM 999 NE2 GLN A 61 17.107 -5.110 10.189 1.00 2.13 N flip ATOM 0 H GLN A 61 12.979 -8.190 13.328 1.00 12.33 H new ATOM 0 HA GLN A 61 12.251 -6.379 11.386 1.00 33.14 H new ATOM 0 HB2 GLN A 61 14.444 -6.459 12.570 1.00 10.34 H new ATOM 0 HB3 GLN A 61 14.850 -7.959 11.760 1.00 10.34 H new ATOM 0 HG2 GLN A 61 14.750 -6.691 9.548 1.00 12.13 H new ATOM 0 HG3 GLN A 61 14.565 -5.214 10.473 1.00 12.13 H new ATOM 0 HE21 GLN A 61 16.579 -4.341 9.777 1.00 2.13 H new ATOM 0 HE22 GLN A 61 18.124 -5.059 10.244 1.00 2.13 H new ATOM 1008 N ASP A 62 12.844 -9.375 10.105 1.00 74.54 N ATOM 1009 CA ASP A 62 12.792 -10.215 8.889 1.00 53.43 C ATOM 1010 C ASP A 62 11.346 -10.527 8.478 1.00 10.52 C ATOM 1011 O ASP A 62 11.038 -10.548 7.281 1.00 23.44 O ATOM 1012 CB ASP A 62 13.585 -11.526 9.108 1.00 33.21 C ATOM 1013 CG ASP A 62 13.578 -12.473 7.892 1.00 53.30 C ATOM 1014 OD1 ASP A 62 14.203 -12.130 6.863 1.00 32.13 O ATOM 1015 OD2 ASP A 62 12.960 -13.561 7.964 1.00 3.41 O ATOM 0 H ASP A 62 13.069 -9.897 10.952 1.00 74.54 H new ATOM 0 HA ASP A 62 13.252 -9.652 8.077 1.00 53.43 H new ATOM 0 HB2 ASP A 62 14.617 -11.277 9.356 1.00 33.21 H new ATOM 0 HB3 ASP A 62 13.168 -12.051 9.967 1.00 33.21 H new ATOM 1020 N MET A 63 10.459 -10.775 9.471 1.00 12.35 N ATOM 1021 CA MET A 63 9.016 -10.987 9.196 1.00 71.31 C ATOM 1022 C MET A 63 8.392 -9.690 8.654 1.00 63.01 C ATOM 1023 O MET A 63 7.674 -9.707 7.654 1.00 42.44 O ATOM 1024 CB MET A 63 8.242 -11.462 10.454 1.00 23.11 C ATOM 1025 CG MET A 63 8.698 -12.811 11.013 1.00 22.34 C ATOM 1026 SD MET A 63 7.649 -13.381 12.367 1.00 71.42 S ATOM 1027 CE MET A 63 7.787 -12.024 13.530 1.00 73.11 C ATOM 0 H MET A 63 10.712 -10.833 10.457 1.00 12.35 H new ATOM 0 HA MET A 63 8.937 -11.777 8.449 1.00 71.31 H new ATOM 0 HB2 MET A 63 8.345 -10.707 11.234 1.00 23.11 H new ATOM 0 HB3 MET A 63 7.182 -11.525 10.209 1.00 23.11 H new ATOM 0 HG2 MET A 63 8.692 -13.553 10.215 1.00 22.34 H new ATOM 0 HG3 MET A 63 9.727 -12.728 11.364 1.00 22.34 H new ATOM 0 HE1 MET A 63 7.277 -12.286 14.457 1.00 73.11 H new ATOM 0 HE2 MET A 63 8.839 -11.828 13.737 1.00 73.11 H new ATOM 0 HE3 MET A 63 7.329 -11.132 13.104 1.00 73.11 H new ATOM 1037 N VAL A 64 8.725 -8.574 9.323 1.00 11.33 N ATOM 1038 CA VAL A 64 8.320 -7.216 8.937 1.00 41.11 C ATOM 1039 C VAL A 64 8.882 -6.853 7.555 1.00 30.23 C ATOM 1040 O VAL A 64 8.168 -6.290 6.738 1.00 3.12 O ATOM 1041 CB VAL A 64 8.773 -6.171 10.031 1.00 62.12 C ATOM 1042 CG1 VAL A 64 8.710 -4.719 9.517 1.00 41.13 C ATOM 1043 CG2 VAL A 64 7.926 -6.338 11.320 1.00 51.53 C ATOM 0 H VAL A 64 9.297 -8.594 10.167 1.00 11.33 H new ATOM 0 HA VAL A 64 7.232 -7.185 8.872 1.00 41.11 H new ATOM 0 HB VAL A 64 9.818 -6.377 10.264 1.00 62.12 H new ATOM 0 HG11 VAL A 64 9.031 -4.039 10.306 1.00 41.13 H new ATOM 0 HG12 VAL A 64 9.367 -4.610 8.654 1.00 41.13 H new ATOM 0 HG13 VAL A 64 7.687 -4.480 9.226 1.00 41.13 H new ATOM 0 HG21 VAL A 64 8.250 -5.611 12.065 1.00 51.53 H new ATOM 0 HG22 VAL A 64 6.874 -6.175 11.087 1.00 51.53 H new ATOM 0 HG23 VAL A 64 8.059 -7.345 11.715 1.00 51.53 H new ATOM 1053 N ALA A 65 10.149 -7.226 7.300 1.00 51.44 N ATOM 1054 CA ALA A 65 10.800 -7.014 5.995 1.00 23.21 C ATOM 1055 C ALA A 65 10.097 -7.847 4.919 1.00 65.31 C ATOM 1056 O ALA A 65 10.014 -7.434 3.772 1.00 30.25 O ATOM 1057 CB ALA A 65 12.288 -7.373 6.054 1.00 73.01 C ATOM 0 H ALA A 65 10.748 -7.681 7.989 1.00 51.44 H new ATOM 0 HA ALA A 65 10.719 -5.957 5.741 1.00 23.21 H new ATOM 0 HB1 ALA A 65 12.741 -7.206 5.077 1.00 73.01 H new ATOM 0 HB2 ALA A 65 12.784 -6.747 6.796 1.00 73.01 H new ATOM 0 HB3 ALA A 65 12.399 -8.421 6.331 1.00 73.01 H new ATOM 1063 N GLY A 66 9.570 -9.019 5.334 1.00 71.24 N ATOM 1064 CA GLY A 66 8.747 -9.858 4.470 1.00 40.20 C ATOM 1065 C GLY A 66 7.466 -9.148 4.061 1.00 24.04 C ATOM 1066 O GLY A 66 7.119 -9.123 2.886 1.00 15.33 O ATOM 0 H GLY A 66 9.708 -9.398 6.271 1.00 71.24 H new ATOM 0 HA2 GLY A 66 9.313 -10.131 3.580 1.00 40.20 H new ATOM 0 HA3 GLY A 66 8.501 -10.785 4.988 1.00 40.20 H new ATOM 1070 N TYR A 67 6.802 -8.518 5.048 1.00 61.11 N ATOM 1071 CA TYR A 67 5.559 -7.748 4.825 1.00 31.44 C ATOM 1072 C TYR A 67 5.830 -6.458 4.024 1.00 2.42 C ATOM 1073 O TYR A 67 4.980 -6.005 3.258 1.00 53.55 O ATOM 1074 CB TYR A 67 4.893 -7.373 6.169 1.00 3.21 C ATOM 1075 CG TYR A 67 4.646 -8.550 7.130 1.00 51.31 C ATOM 1076 CD1 TYR A 67 4.898 -8.424 8.502 1.00 62.10 C ATOM 1077 CD2 TYR A 67 4.174 -9.782 6.670 1.00 42.41 C ATOM 1078 CE1 TYR A 67 4.692 -9.478 9.367 1.00 2.32 C ATOM 1079 CE2 TYR A 67 3.964 -10.834 7.540 1.00 22.35 C ATOM 1080 CZ TYR A 67 4.227 -10.676 8.880 1.00 23.01 C ATOM 1081 OH TYR A 67 4.028 -11.731 9.741 1.00 10.40 O ATOM 0 H TYR A 67 7.109 -8.527 6.021 1.00 61.11 H new ATOM 0 HA TYR A 67 4.888 -8.388 4.251 1.00 31.44 H new ATOM 0 HB2 TYR A 67 5.520 -6.638 6.674 1.00 3.21 H new ATOM 0 HB3 TYR A 67 3.939 -6.889 5.961 1.00 3.21 H new ATOM 0 HD1 TYR A 67 5.261 -7.483 8.890 1.00 62.10 H new ATOM 0 HD2 TYR A 67 3.970 -9.914 5.618 1.00 42.41 H new ATOM 0 HE1 TYR A 67 4.895 -9.363 10.421 1.00 2.32 H new ATOM 0 HE2 TYR A 67 3.594 -11.778 7.168 1.00 22.35 H new ATOM 0 HH TYR A 67 3.696 -12.505 9.239 1.00 10.40 H new ATOM 1091 N ILE A 68 7.027 -5.890 4.235 1.00 60.04 N ATOM 1092 CA ILE A 68 7.486 -4.651 3.585 1.00 71.33 C ATOM 1093 C ILE A 68 7.741 -4.896 2.096 1.00 70.22 C ATOM 1094 O ILE A 68 7.296 -4.121 1.250 1.00 65.12 O ATOM 1095 CB ILE A 68 8.779 -4.081 4.312 1.00 75.24 C ATOM 1096 CG1 ILE A 68 8.362 -3.329 5.623 1.00 34.14 C ATOM 1097 CG2 ILE A 68 9.654 -3.190 3.384 1.00 0.52 C ATOM 1098 CD1 ILE A 68 9.509 -2.740 6.421 1.00 43.23 C ATOM 0 H ILE A 68 7.717 -6.286 4.874 1.00 60.04 H new ATOM 0 HA ILE A 68 6.703 -3.898 3.672 1.00 71.33 H new ATOM 0 HB ILE A 68 9.411 -4.928 4.578 1.00 75.24 H new ATOM 0 HG12 ILE A 68 7.674 -2.526 5.359 1.00 34.14 H new ATOM 0 HG13 ILE A 68 7.814 -4.022 6.262 1.00 34.14 H new ATOM 0 HG21 ILE A 68 10.522 -2.831 3.937 1.00 0.52 H new ATOM 0 HG22 ILE A 68 9.987 -3.775 2.527 1.00 0.52 H new ATOM 0 HG23 ILE A 68 9.067 -2.339 3.037 1.00 0.52 H new ATOM 0 HD11 ILE A 68 9.117 -2.242 7.308 1.00 43.23 H new ATOM 0 HD12 ILE A 68 10.189 -3.537 6.723 1.00 43.23 H new ATOM 0 HD13 ILE A 68 10.047 -2.018 5.807 1.00 43.23 H new ATOM 1110 N LYS A 69 8.444 -5.990 1.782 1.00 61.11 N ATOM 1111 CA LYS A 69 8.753 -6.351 0.396 1.00 42.42 C ATOM 1112 C LYS A 69 7.489 -6.845 -0.330 1.00 55.42 C ATOM 1113 O LYS A 69 7.331 -6.607 -1.534 1.00 22.41 O ATOM 1114 CB LYS A 69 9.892 -7.393 0.345 1.00 2.23 C ATOM 1115 CG LYS A 69 11.236 -6.916 0.962 1.00 23.11 C ATOM 1116 CD LYS A 69 11.790 -5.607 0.344 1.00 71.10 C ATOM 1117 CE LYS A 69 12.088 -5.738 -1.161 1.00 65.12 C ATOM 1118 NZ LYS A 69 13.094 -6.794 -1.457 1.00 51.23 N ATOM 0 H LYS A 69 8.811 -6.643 2.474 1.00 61.11 H new ATOM 0 HA LYS A 69 9.103 -5.461 -0.128 1.00 42.42 H new ATOM 0 HB2 LYS A 69 9.567 -8.293 0.868 1.00 2.23 H new ATOM 0 HB3 LYS A 69 10.064 -7.673 -0.694 1.00 2.23 H new ATOM 0 HG2 LYS A 69 11.099 -6.769 2.033 1.00 23.11 H new ATOM 0 HG3 LYS A 69 11.979 -7.705 0.841 1.00 23.11 H new ATOM 0 HD2 LYS A 69 11.069 -4.804 0.499 1.00 71.10 H new ATOM 0 HD3 LYS A 69 12.703 -5.321 0.867 1.00 71.10 H new ATOM 0 HE2 LYS A 69 11.163 -5.964 -1.692 1.00 65.12 H new ATOM 0 HE3 LYS A 69 12.448 -4.782 -1.541 1.00 65.12 H new ATOM 0 HZ1 LYS A 69 13.320 -6.783 -2.472 1.00 51.23 H new ATOM 0 HZ2 LYS A 69 13.958 -6.614 -0.908 1.00 51.23 H new ATOM 0 HZ3 LYS A 69 12.707 -7.724 -1.199 1.00 51.23 H new ATOM 1132 N GLN A 70 6.575 -7.492 0.438 1.00 35.51 N ATOM 1133 CA GLN A 70 5.226 -7.838 -0.041 1.00 24.45 C ATOM 1134 C GLN A 70 4.509 -6.567 -0.504 1.00 54.12 C ATOM 1135 O GLN A 70 4.178 -6.432 -1.675 1.00 61.55 O ATOM 1136 CB GLN A 70 4.386 -8.534 1.082 1.00 3.31 C ATOM 1137 CG GLN A 70 4.586 -10.051 1.237 1.00 25.12 C ATOM 1138 CD GLN A 70 3.947 -10.868 0.113 1.00 64.13 C ATOM 1139 OE1 GLN A 70 4.574 -11.175 -0.897 1.00 12.40 O ATOM 1140 NE2 GLN A 70 2.675 -11.202 0.270 1.00 11.32 N ATOM 0 H GLN A 70 6.757 -7.783 1.398 1.00 35.51 H new ATOM 0 HA GLN A 70 5.326 -8.535 -0.873 1.00 24.45 H new ATOM 0 HB2 GLN A 70 4.624 -8.058 2.033 1.00 3.31 H new ATOM 0 HB3 GLN A 70 3.330 -8.346 0.887 1.00 3.31 H new ATOM 0 HG2 GLN A 70 5.654 -10.267 1.271 1.00 25.12 H new ATOM 0 HG3 GLN A 70 4.166 -10.369 2.191 1.00 25.12 H new ATOM 0 HE21 GLN A 70 2.178 -10.934 1.120 1.00 11.32 H new ATOM 0 HE22 GLN A 70 2.192 -11.728 -0.459 1.00 11.32 H new ATOM 1149 N THR A 71 4.353 -5.607 0.426 1.00 70.11 N ATOM 1150 CA THR A 71 3.501 -4.446 0.204 1.00 23.55 C ATOM 1151 C THR A 71 4.092 -3.492 -0.843 1.00 40.04 C ATOM 1152 O THR A 71 3.345 -2.921 -1.612 1.00 23.45 O ATOM 1153 CB THR A 71 3.160 -3.688 1.531 1.00 51.10 C ATOM 1154 OG1 THR A 71 2.062 -2.795 1.303 1.00 42.43 O ATOM 1155 CG2 THR A 71 4.340 -2.894 2.121 1.00 42.12 C ATOM 0 H THR A 71 4.811 -5.621 1.337 1.00 70.11 H new ATOM 0 HA THR A 71 2.562 -4.832 -0.193 1.00 23.55 H new ATOM 0 HB THR A 71 2.904 -4.455 2.262 1.00 51.10 H new ATOM 0 HG1 THR A 71 2.289 -1.904 1.643 1.00 42.43 H new ATOM 0 HG21 THR A 71 4.022 -2.398 3.038 1.00 42.12 H new ATOM 0 HG22 THR A 71 5.162 -3.575 2.342 1.00 42.12 H new ATOM 0 HG23 THR A 71 4.672 -2.146 1.401 1.00 42.12 H new ATOM 1163 N LEU A 72 5.433 -3.366 -0.881 1.00 12.24 N ATOM 1164 CA LEU A 72 6.132 -2.502 -1.855 1.00 63.40 C ATOM 1165 C LEU A 72 6.097 -3.100 -3.273 1.00 3.23 C ATOM 1166 O LEU A 72 5.990 -2.350 -4.243 1.00 44.00 O ATOM 1167 CB LEU A 72 7.605 -2.236 -1.423 1.00 53.52 C ATOM 1168 CG LEU A 72 7.801 -1.226 -0.250 1.00 52.14 C ATOM 1169 CD1 LEU A 72 9.292 -1.122 0.150 1.00 55.32 C ATOM 1170 CD2 LEU A 72 7.221 0.165 -0.614 1.00 2.01 C ATOM 0 H LEU A 72 6.059 -3.856 -0.242 1.00 12.24 H new ATOM 0 HA LEU A 72 5.599 -1.551 -1.873 1.00 63.40 H new ATOM 0 HB2 LEU A 72 8.056 -3.186 -1.138 1.00 53.52 H new ATOM 0 HB3 LEU A 72 8.156 -1.869 -2.289 1.00 53.52 H new ATOM 0 HG LEU A 72 7.251 -1.602 0.613 1.00 52.14 H new ATOM 0 HD11 LEU A 72 9.400 -0.411 0.969 1.00 55.32 H new ATOM 0 HD12 LEU A 72 9.653 -2.100 0.468 1.00 55.32 H new ATOM 0 HD13 LEU A 72 9.875 -0.781 -0.705 1.00 55.32 H new ATOM 0 HD21 LEU A 72 7.370 0.851 0.220 1.00 2.01 H new ATOM 0 HD22 LEU A 72 7.730 0.552 -1.497 1.00 2.01 H new ATOM 0 HD23 LEU A 72 6.155 0.072 -0.821 1.00 2.01 H new ATOM 1182 N ASP A 73 6.202 -4.448 -3.384 1.00 75.43 N ATOM 1183 CA ASP A 73 6.170 -5.139 -4.692 1.00 34.13 C ATOM 1184 C ASP A 73 4.742 -5.121 -5.260 1.00 1.01 C ATOM 1185 O ASP A 73 4.527 -4.808 -6.440 1.00 35.52 O ATOM 1186 CB ASP A 73 6.669 -6.606 -4.572 1.00 32.22 C ATOM 1187 CG ASP A 73 6.865 -7.270 -5.946 1.00 34.13 C ATOM 1188 OD1 ASP A 73 7.920 -7.031 -6.582 1.00 40.34 O ATOM 1189 OD2 ASP A 73 5.983 -8.038 -6.397 1.00 70.53 O ATOM 0 H ASP A 73 6.309 -5.073 -2.585 1.00 75.43 H new ATOM 0 HA ASP A 73 6.840 -4.608 -5.368 1.00 34.13 H new ATOM 0 HB2 ASP A 73 7.612 -6.623 -4.025 1.00 32.22 H new ATOM 0 HB3 ASP A 73 5.952 -7.185 -3.990 1.00 32.22 H new ATOM 1194 N ASN A 74 3.768 -5.439 -4.384 1.00 52.03 N ATOM 1195 CA ASN A 74 2.341 -5.475 -4.741 1.00 54.32 C ATOM 1196 C ASN A 74 1.822 -4.067 -5.069 1.00 41.41 C ATOM 1197 O ASN A 74 0.995 -3.903 -5.968 1.00 32.42 O ATOM 1198 CB ASN A 74 1.485 -6.110 -3.613 1.00 54.02 C ATOM 1199 CG ASN A 74 1.853 -7.565 -3.252 1.00 31.00 C ATOM 1200 OD1 ASN A 74 1.632 -7.999 -2.123 1.00 21.15 O ATOM 1201 ND2 ASN A 74 2.408 -8.338 -4.191 1.00 11.43 N ATOM 0 H ASN A 74 3.952 -5.678 -3.409 1.00 52.03 H new ATOM 0 HA ASN A 74 2.247 -6.100 -5.629 1.00 54.32 H new ATOM 0 HB2 ASN A 74 1.578 -5.495 -2.718 1.00 54.02 H new ATOM 0 HB3 ASN A 74 0.437 -6.080 -3.913 1.00 54.02 H new ATOM 0 HD21 ASN A 74 2.655 -9.304 -3.976 1.00 11.43 H new ATOM 0 HD22 ASN A 74 2.584 -7.962 -5.123 1.00 11.43 H new ATOM 1208 N GLU A 75 2.335 -3.061 -4.329 1.00 25.54 N ATOM 1209 CA GLU A 75 2.026 -1.642 -4.569 1.00 52.21 C ATOM 1210 C GLU A 75 2.688 -1.166 -5.866 1.00 12.12 C ATOM 1211 O GLU A 75 2.105 -0.388 -6.585 1.00 24.41 O ATOM 1212 CB GLU A 75 2.500 -0.743 -3.395 1.00 52.31 C ATOM 1213 CG GLU A 75 2.195 0.755 -3.573 1.00 13.43 C ATOM 1214 CD GLU A 75 2.718 1.641 -2.442 1.00 64.13 C ATOM 1215 OE1 GLU A 75 1.977 1.860 -1.463 1.00 1.23 O ATOM 1216 OE2 GLU A 75 3.853 2.158 -2.560 1.00 23.32 O ATOM 0 H GLU A 75 2.975 -3.214 -3.549 1.00 25.54 H new ATOM 0 HA GLU A 75 0.942 -1.557 -4.652 1.00 52.21 H new ATOM 0 HB2 GLU A 75 2.028 -1.090 -2.476 1.00 52.31 H new ATOM 0 HB3 GLU A 75 3.575 -0.869 -3.269 1.00 52.31 H new ATOM 0 HG2 GLU A 75 2.629 1.093 -4.514 1.00 13.43 H new ATOM 0 HG3 GLU A 75 1.116 0.887 -3.654 1.00 13.43 H new ATOM 1223 N GLN A 76 3.914 -1.640 -6.148 1.00 34.12 N ATOM 1224 CA GLN A 76 4.663 -1.246 -7.364 1.00 41.10 C ATOM 1225 C GLN A 76 3.919 -1.723 -8.626 1.00 3.24 C ATOM 1226 O GLN A 76 3.771 -0.977 -9.606 1.00 34.11 O ATOM 1227 CB GLN A 76 6.105 -1.797 -7.313 1.00 31.42 C ATOM 1228 CG GLN A 76 7.008 -1.361 -8.478 1.00 3.03 C ATOM 1229 CD GLN A 76 8.483 -1.787 -8.351 1.00 33.34 C ATOM 1230 OE1 GLN A 76 9.378 -1.085 -8.824 1.00 40.11 O ATOM 1231 NE2 GLN A 76 8.753 -2.946 -7.750 1.00 43.00 N ATOM 0 H GLN A 76 4.413 -2.299 -5.550 1.00 34.12 H new ATOM 0 HA GLN A 76 4.727 -0.159 -7.404 1.00 41.10 H new ATOM 0 HB2 GLN A 76 6.566 -1.480 -6.377 1.00 31.42 H new ATOM 0 HB3 GLN A 76 6.061 -2.886 -7.295 1.00 31.42 H new ATOM 0 HG2 GLN A 76 6.605 -1.771 -9.404 1.00 3.03 H new ATOM 0 HG3 GLN A 76 6.965 -0.275 -8.565 1.00 3.03 H new ATOM 0 HE21 GLN A 76 7.995 -3.510 -7.366 1.00 43.00 H new ATOM 0 HE22 GLN A 76 9.718 -3.269 -7.674 1.00 43.00 H new ATOM 1240 N LEU A 77 3.407 -2.960 -8.551 1.00 34.14 N ATOM 1241 CA LEU A 77 2.557 -3.562 -9.593 1.00 44.44 C ATOM 1242 C LEU A 77 1.183 -2.856 -9.662 1.00 22.05 C ATOM 1243 O LEU A 77 0.626 -2.699 -10.751 1.00 50.11 O ATOM 1244 CB LEU A 77 2.389 -5.077 -9.317 1.00 3.14 C ATOM 1245 CG LEU A 77 3.660 -5.957 -9.516 1.00 63.43 C ATOM 1246 CD1 LEU A 77 3.455 -7.379 -8.952 1.00 63.23 C ATOM 1247 CD2 LEU A 77 4.067 -6.015 -11.004 1.00 15.11 C ATOM 0 H LEU A 77 3.572 -3.579 -7.757 1.00 34.14 H new ATOM 0 HA LEU A 77 3.041 -3.432 -10.561 1.00 44.44 H new ATOM 0 HB2 LEU A 77 2.043 -5.202 -8.291 1.00 3.14 H new ATOM 0 HB3 LEU A 77 1.602 -5.459 -9.968 1.00 3.14 H new ATOM 0 HG LEU A 77 4.471 -5.490 -8.958 1.00 63.43 H new ATOM 0 HD11 LEU A 77 4.360 -7.966 -9.107 1.00 63.23 H new ATOM 0 HD12 LEU A 77 3.239 -7.320 -7.885 1.00 63.23 H new ATOM 0 HD13 LEU A 77 2.620 -7.857 -9.465 1.00 63.23 H new ATOM 0 HD21 LEU A 77 4.956 -6.635 -11.114 1.00 15.11 H new ATOM 0 HD22 LEU A 77 3.252 -6.443 -11.588 1.00 15.11 H new ATOM 0 HD23 LEU A 77 4.280 -5.008 -11.362 1.00 15.11 H new ATOM 1259 N LEU A 78 0.647 -2.447 -8.481 1.00 40.44 N ATOM 1260 CA LEU A 78 -0.603 -1.652 -8.380 1.00 11.20 C ATOM 1261 C LEU A 78 -0.469 -0.330 -9.137 1.00 31.32 C ATOM 1262 O LEU A 78 -1.128 -0.130 -10.136 1.00 72.12 O ATOM 1263 CB LEU A 78 -0.993 -1.369 -6.878 1.00 35.41 C ATOM 1264 CG LEU A 78 -1.931 -2.413 -6.206 1.00 22.40 C ATOM 1265 CD1 LEU A 78 -2.088 -2.133 -4.698 1.00 25.11 C ATOM 1266 CD2 LEU A 78 -3.301 -2.416 -6.908 1.00 62.33 C ATOM 0 H LEU A 78 1.069 -2.659 -7.577 1.00 40.44 H new ATOM 0 HA LEU A 78 -1.398 -2.244 -8.833 1.00 11.20 H new ATOM 0 HB2 LEU A 78 -0.076 -1.304 -6.292 1.00 35.41 H new ATOM 0 HB3 LEU A 78 -1.474 -0.392 -6.827 1.00 35.41 H new ATOM 0 HG LEU A 78 -1.480 -3.400 -6.311 1.00 22.40 H new ATOM 0 HD11 LEU A 78 -2.749 -2.879 -4.256 1.00 25.11 H new ATOM 0 HD12 LEU A 78 -1.112 -2.182 -4.215 1.00 25.11 H new ATOM 0 HD13 LEU A 78 -2.514 -1.140 -4.555 1.00 25.11 H new ATOM 0 HD21 LEU A 78 -3.952 -3.149 -6.432 1.00 62.33 H new ATOM 0 HD22 LEU A 78 -3.752 -1.426 -6.831 1.00 62.33 H new ATOM 0 HD23 LEU A 78 -3.171 -2.674 -7.959 1.00 62.33 H new ATOM 1278 N LYS A 79 0.446 0.528 -8.674 1.00 1.33 N ATOM 1279 CA LYS A 79 0.620 1.900 -9.168 1.00 74.00 C ATOM 1280 C LYS A 79 1.097 1.908 -10.625 1.00 53.33 C ATOM 1281 O LYS A 79 0.786 2.841 -11.359 1.00 30.11 O ATOM 1282 CB LYS A 79 1.590 2.686 -8.233 1.00 62.50 C ATOM 1283 CG LYS A 79 3.067 2.212 -8.249 1.00 43.31 C ATOM 1284 CD LYS A 79 3.782 2.368 -6.879 1.00 63.00 C ATOM 1285 CE LYS A 79 3.734 3.787 -6.296 1.00 41.30 C ATOM 1286 NZ LYS A 79 4.386 3.849 -4.951 1.00 52.22 N ATOM 0 H LYS A 79 1.100 0.284 -7.930 1.00 1.33 H new ATOM 0 HA LYS A 79 -0.346 2.404 -9.151 1.00 74.00 H new ATOM 0 HB2 LYS A 79 1.562 3.739 -8.513 1.00 62.50 H new ATOM 0 HB3 LYS A 79 1.216 2.618 -7.211 1.00 62.50 H new ATOM 0 HG2 LYS A 79 3.101 1.165 -8.551 1.00 43.31 H new ATOM 0 HG3 LYS A 79 3.614 2.779 -9.002 1.00 43.31 H new ATOM 0 HD2 LYS A 79 3.328 1.680 -6.166 1.00 63.00 H new ATOM 0 HD3 LYS A 79 4.824 2.069 -6.991 1.00 63.00 H new ATOM 0 HE2 LYS A 79 4.233 4.478 -6.976 1.00 41.30 H new ATOM 0 HE3 LYS A 79 2.697 4.113 -6.214 1.00 41.30 H new ATOM 0 HZ1 LYS A 79 4.473 4.842 -4.653 1.00 52.22 H new ATOM 0 HZ2 LYS A 79 3.807 3.330 -4.260 1.00 52.22 H new ATOM 0 HZ3 LYS A 79 5.332 3.419 -5.003 1.00 52.22 H new ATOM 1300 N GLY A 80 1.836 0.847 -11.020 1.00 53.52 N ATOM 1301 CA GLY A 80 2.174 0.611 -12.420 1.00 1.34 C ATOM 1302 C GLY A 80 0.929 0.397 -13.275 1.00 31.42 C ATOM 1303 O GLY A 80 0.618 1.228 -14.123 1.00 45.31 O ATOM 0 H GLY A 80 2.205 0.145 -10.378 1.00 53.52 H new ATOM 0 HA2 GLY A 80 2.738 1.460 -12.806 1.00 1.34 H new ATOM 0 HA3 GLY A 80 2.821 -0.263 -12.495 1.00 1.34 H new ATOM 1307 N LEU A 81 0.171 -0.682 -12.971 1.00 23.53 N ATOM 1308 CA LEU A 81 -1.048 -1.070 -13.720 1.00 10.13 C ATOM 1309 C LEU A 81 -2.071 0.083 -13.740 1.00 52.34 C ATOM 1310 O LEU A 81 -2.679 0.384 -14.776 1.00 34.33 O ATOM 1311 CB LEU A 81 -1.640 -2.361 -13.064 1.00 51.05 C ATOM 1312 CG LEU A 81 -2.964 -2.982 -13.668 1.00 35.21 C ATOM 1313 CD1 LEU A 81 -3.048 -4.505 -13.390 1.00 21.34 C ATOM 1314 CD2 LEU A 81 -4.236 -2.280 -13.124 1.00 53.41 C ATOM 0 H LEU A 81 0.388 -1.310 -12.197 1.00 23.53 H new ATOM 0 HA LEU A 81 -0.797 -1.280 -14.760 1.00 10.13 H new ATOM 0 HB2 LEU A 81 -0.869 -3.131 -13.096 1.00 51.05 H new ATOM 0 HB3 LEU A 81 -1.828 -2.141 -12.013 1.00 51.05 H new ATOM 0 HG LEU A 81 -2.920 -2.820 -14.745 1.00 35.21 H new ATOM 0 HD11 LEU A 81 -3.969 -4.903 -13.817 1.00 21.34 H new ATOM 0 HD12 LEU A 81 -2.192 -5.005 -13.843 1.00 21.34 H new ATOM 0 HD13 LEU A 81 -3.042 -4.679 -12.314 1.00 21.34 H new ATOM 0 HD21 LEU A 81 -5.121 -2.738 -13.565 1.00 53.41 H new ATOM 0 HD22 LEU A 81 -4.275 -2.386 -12.040 1.00 53.41 H new ATOM 0 HD23 LEU A 81 -4.207 -1.222 -13.384 1.00 53.41 H new ATOM 1326 N LEU A 82 -2.212 0.728 -12.580 1.00 73.04 N ATOM 1327 CA LEU A 82 -3.217 1.755 -12.328 1.00 14.05 C ATOM 1328 C LEU A 82 -2.898 3.035 -13.076 1.00 3.11 C ATOM 1329 O LEU A 82 -3.797 3.592 -13.697 1.00 34.34 O ATOM 1330 CB LEU A 82 -3.371 2.000 -10.801 1.00 22.42 C ATOM 1331 CG LEU A 82 -4.183 0.897 -10.045 1.00 71.51 C ATOM 1332 CD1 LEU A 82 -3.986 0.983 -8.520 1.00 72.34 C ATOM 1333 CD2 LEU A 82 -5.676 1.004 -10.405 1.00 71.32 C ATOM 0 H LEU A 82 -1.615 0.544 -11.773 1.00 73.04 H new ATOM 0 HA LEU A 82 -4.175 1.399 -12.707 1.00 14.05 H new ATOM 0 HB2 LEU A 82 -2.379 2.072 -10.356 1.00 22.42 H new ATOM 0 HB3 LEU A 82 -3.860 2.962 -10.648 1.00 22.42 H new ATOM 0 HG LEU A 82 -3.805 -0.074 -10.364 1.00 71.51 H new ATOM 0 HD11 LEU A 82 -4.567 0.200 -8.033 1.00 72.34 H new ATOM 0 HD12 LEU A 82 -2.930 0.853 -8.282 1.00 72.34 H new ATOM 0 HD13 LEU A 82 -4.321 1.957 -8.164 1.00 72.34 H new ATOM 0 HD21 LEU A 82 -6.234 0.233 -9.875 1.00 71.32 H new ATOM 0 HD22 LEU A 82 -6.050 1.986 -10.116 1.00 71.32 H new ATOM 0 HD23 LEU A 82 -5.802 0.869 -11.479 1.00 71.32 H new ATOM 1345 N GLN A 83 -1.623 3.487 -13.058 1.00 61.23 N ATOM 1346 CA GLN A 83 -1.254 4.715 -13.779 1.00 21.13 C ATOM 1347 C GLN A 83 -1.370 4.479 -15.291 1.00 14.12 C ATOM 1348 O GLN A 83 -1.859 5.342 -15.997 1.00 25.43 O ATOM 1349 CB GLN A 83 0.164 5.264 -13.431 1.00 64.33 C ATOM 1350 CG GLN A 83 1.365 4.480 -14.030 1.00 14.40 C ATOM 1351 CD GLN A 83 2.587 5.352 -14.286 1.00 64.51 C ATOM 1352 OE1 GLN A 83 3.474 5.476 -13.437 1.00 33.32 O ATOM 1353 NE2 GLN A 83 2.624 5.978 -15.461 1.00 12.41 N ATOM 0 H GLN A 83 -0.855 3.031 -12.565 1.00 61.23 H new ATOM 0 HA GLN A 83 -1.956 5.482 -13.451 1.00 21.13 H new ATOM 0 HB2 GLN A 83 0.225 6.298 -13.771 1.00 64.33 H new ATOM 0 HB3 GLN A 83 0.270 5.278 -12.346 1.00 64.33 H new ATOM 0 HG2 GLN A 83 1.639 3.674 -13.350 1.00 14.40 H new ATOM 0 HG3 GLN A 83 1.056 4.016 -14.967 1.00 14.40 H new ATOM 0 HE21 GLN A 83 1.868 5.846 -16.133 1.00 12.41 H new ATOM 0 HE22 GLN A 83 3.408 6.589 -15.689 1.00 12.41 H new ATOM 1362 N GLN A 84 -0.957 3.266 -15.751 1.00 4.20 N ATOM 1363 CA GLN A 84 -1.006 2.878 -17.179 1.00 0.22 C ATOM 1364 C GLN A 84 -2.444 2.949 -17.704 1.00 42.24 C ATOM 1365 O GLN A 84 -2.713 3.495 -18.784 1.00 23.20 O ATOM 1366 CB GLN A 84 -0.446 1.439 -17.392 1.00 21.23 C ATOM 1367 CG GLN A 84 1.069 1.264 -17.127 1.00 74.34 C ATOM 1368 CD GLN A 84 1.997 1.871 -18.189 1.00 24.15 C ATOM 1369 OE1 GLN A 84 1.673 2.846 -18.862 1.00 65.02 O ATOM 1370 NE2 GLN A 84 3.185 1.301 -18.326 1.00 42.40 N ATOM 0 H GLN A 84 -0.584 2.537 -15.142 1.00 4.20 H new ATOM 0 HA GLN A 84 -0.383 3.580 -17.733 1.00 0.22 H new ATOM 0 HB2 GLN A 84 -0.992 0.756 -16.741 1.00 21.23 H new ATOM 0 HB3 GLN A 84 -0.654 1.136 -18.418 1.00 21.23 H new ATOM 0 HG2 GLN A 84 1.306 1.713 -16.162 1.00 74.34 H new ATOM 0 HG3 GLN A 84 1.286 0.199 -17.045 1.00 74.34 H new ATOM 0 HE21 GLN A 84 3.431 0.492 -17.756 1.00 42.40 H new ATOM 0 HE22 GLN A 84 3.853 1.671 -19.002 1.00 42.40 H new ATOM 1379 N ARG A 85 -3.369 2.408 -16.901 1.00 31.30 N ATOM 1380 CA ARG A 85 -4.784 2.386 -17.251 1.00 2.23 C ATOM 1381 C ARG A 85 -5.380 3.791 -17.138 1.00 51.53 C ATOM 1382 O ARG A 85 -6.218 4.157 -17.933 1.00 54.40 O ATOM 1383 CB ARG A 85 -5.582 1.405 -16.366 1.00 61.44 C ATOM 1384 CG ARG A 85 -7.041 1.234 -16.839 1.00 63.02 C ATOM 1385 CD ARG A 85 -7.880 0.361 -15.916 1.00 43.00 C ATOM 1386 NE ARG A 85 -9.255 0.186 -16.421 1.00 62.33 N ATOM 1387 CZ ARG A 85 -10.371 0.686 -15.868 1.00 31.11 C ATOM 1388 NH1 ARG A 85 -10.319 1.411 -14.755 1.00 44.51 N ATOM 1389 NH2 ARG A 85 -11.547 0.438 -16.431 1.00 12.20 N ATOM 0 H ARG A 85 -3.155 1.979 -16.001 1.00 31.30 H new ATOM 0 HA ARG A 85 -4.859 2.040 -18.282 1.00 2.23 H new ATOM 0 HB2 ARG A 85 -5.087 0.434 -16.368 1.00 61.44 H new ATOM 0 HB3 ARG A 85 -5.577 1.763 -15.337 1.00 61.44 H new ATOM 0 HG2 ARG A 85 -7.506 2.216 -16.919 1.00 63.02 H new ATOM 0 HG3 ARG A 85 -7.042 0.799 -17.838 1.00 63.02 H new ATOM 0 HD2 ARG A 85 -7.406 -0.615 -15.810 1.00 43.00 H new ATOM 0 HD3 ARG A 85 -7.913 0.810 -14.923 1.00 43.00 H new ATOM 0 HE ARG A 85 -9.368 -0.367 -17.270 1.00 62.33 H new ATOM 0 HH11 ARG A 85 -9.421 1.595 -14.308 1.00 44.51 H new ATOM 0 HH12 ARG A 85 -11.177 1.783 -14.348 1.00 44.51 H new ATOM 0 HH21 ARG A 85 -11.598 -0.129 -17.277 1.00 12.20 H new ATOM 0 HH22 ARG A 85 -12.400 0.814 -16.017 1.00 12.20 H new ATOM 1403 N LEU A 86 -4.922 4.578 -16.151 1.00 11.21 N ATOM 1404 CA LEU A 86 -5.354 5.977 -15.990 1.00 44.53 C ATOM 1405 C LEU A 86 -4.797 6.846 -17.131 1.00 74.14 C ATOM 1406 O LEU A 86 -5.391 7.855 -17.451 1.00 3.33 O ATOM 1407 CB LEU A 86 -4.943 6.560 -14.605 1.00 11.32 C ATOM 1408 CG LEU A 86 -5.717 5.999 -13.367 1.00 32.35 C ATOM 1409 CD1 LEU A 86 -5.165 6.598 -12.057 1.00 23.15 C ATOM 1410 CD2 LEU A 86 -7.241 6.231 -13.494 1.00 1.10 C ATOM 0 H LEU A 86 -4.250 4.268 -15.449 1.00 11.21 H new ATOM 0 HA LEU A 86 -6.443 5.990 -16.035 1.00 44.53 H new ATOM 0 HB2 LEU A 86 -3.879 6.376 -14.457 1.00 11.32 H new ATOM 0 HB3 LEU A 86 -5.078 7.641 -14.634 1.00 11.32 H new ATOM 0 HG LEU A 86 -5.558 4.921 -13.338 1.00 32.35 H new ATOM 0 HD11 LEU A 86 -5.719 6.193 -11.210 1.00 23.15 H new ATOM 0 HD12 LEU A 86 -4.110 6.343 -11.956 1.00 23.15 H new ATOM 0 HD13 LEU A 86 -5.275 7.682 -12.078 1.00 23.15 H new ATOM 0 HD21 LEU A 86 -7.745 5.828 -12.615 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -7.441 7.300 -13.569 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -7.612 5.729 -14.387 1.00 1.10 H new ATOM 1422 N ASP A 87 -3.666 6.417 -17.735 1.00 63.31 N ATOM 1423 CA ASP A 87 -3.090 7.053 -18.936 1.00 61.11 C ATOM 1424 C ASP A 87 -4.021 6.804 -20.128 1.00 44.00 C ATOM 1425 O ASP A 87 -4.305 7.720 -20.913 1.00 24.23 O ATOM 1426 CB ASP A 87 -1.666 6.499 -19.268 1.00 51.45 C ATOM 1427 CG ASP A 87 -0.562 6.957 -18.303 1.00 34.12 C ATOM 1428 OD1 ASP A 87 0.276 6.121 -17.879 1.00 54.43 O ATOM 1429 OD2 ASP A 87 -0.491 8.167 -18.013 1.00 21.33 O ATOM 0 H ASP A 87 -3.128 5.618 -17.401 1.00 63.31 H new ATOM 0 HA ASP A 87 -2.992 8.120 -18.737 1.00 61.11 H new ATOM 0 HB2 ASP A 87 -1.704 5.410 -19.265 1.00 51.45 H new ATOM 0 HB3 ASP A 87 -1.397 6.806 -20.279 1.00 51.45 H new ATOM 1434 N GLU A 88 -4.494 5.538 -20.233 1.00 62.50 N ATOM 1435 CA GLU A 88 -5.471 5.125 -21.251 1.00 13.31 C ATOM 1436 C GLU A 88 -6.760 5.947 -21.108 1.00 63.11 C ATOM 1437 O GLU A 88 -7.104 6.705 -22.001 1.00 14.54 O ATOM 1438 CB GLU A 88 -5.779 3.610 -21.128 1.00 60.21 C ATOM 1439 CG GLU A 88 -4.571 2.698 -21.397 1.00 33.02 C ATOM 1440 CD GLU A 88 -3.994 2.841 -22.817 1.00 74.41 C ATOM 1441 OE1 GLU A 88 -2.887 3.409 -22.979 1.00 13.23 O ATOM 1442 OE2 GLU A 88 -4.648 2.389 -23.778 1.00 33.30 O ATOM 0 H GLU A 88 -4.205 4.782 -19.612 1.00 62.50 H new ATOM 0 HA GLU A 88 -5.045 5.308 -22.237 1.00 13.31 H new ATOM 0 HB2 GLU A 88 -6.157 3.408 -20.126 1.00 60.21 H new ATOM 0 HB3 GLU A 88 -6.576 3.355 -21.827 1.00 60.21 H new ATOM 0 HG2 GLU A 88 -3.789 2.922 -20.672 1.00 33.02 H new ATOM 0 HG3 GLU A 88 -4.867 1.661 -21.237 1.00 33.02 H new ATOM 1449 N LEU A 89 -7.400 5.827 -19.929 1.00 51.31 N ATOM 1450 CA LEU A 89 -8.686 6.463 -19.592 1.00 41.12 C ATOM 1451 C LEU A 89 -8.633 7.993 -19.770 1.00 2.12 C ATOM 1452 O LEU A 89 -9.574 8.583 -20.293 1.00 74.40 O ATOM 1453 CB LEU A 89 -9.112 6.097 -18.135 1.00 3.25 C ATOM 1454 CG LEU A 89 -9.294 4.571 -17.829 1.00 51.31 C ATOM 1455 CD1 LEU A 89 -9.606 4.338 -16.335 1.00 74.13 C ATOM 1456 CD2 LEU A 89 -10.371 3.928 -18.731 1.00 10.41 C ATOM 0 H LEU A 89 -7.024 5.268 -19.163 1.00 51.31 H new ATOM 0 HA LEU A 89 -9.433 6.078 -20.286 1.00 41.12 H new ATOM 0 HB2 LEU A 89 -8.365 6.497 -17.449 1.00 3.25 H new ATOM 0 HB3 LEU A 89 -10.051 6.605 -17.915 1.00 3.25 H new ATOM 0 HG LEU A 89 -8.348 4.080 -18.057 1.00 51.31 H new ATOM 0 HD11 LEU A 89 -9.727 3.271 -16.151 1.00 74.13 H new ATOM 0 HD12 LEU A 89 -8.785 4.720 -15.728 1.00 74.13 H new ATOM 0 HD13 LEU A 89 -10.526 4.859 -16.070 1.00 74.13 H new ATOM 0 HD21 LEU A 89 -10.466 2.870 -18.487 1.00 10.41 H new ATOM 0 HD22 LEU A 89 -11.327 4.425 -18.567 1.00 10.41 H new ATOM 0 HD23 LEU A 89 -10.081 4.034 -19.776 1.00 10.41 H new ATOM 1468 N SER A 90 -7.513 8.620 -19.370 1.00 61.32 N ATOM 1469 CA SER A 90 -7.334 10.078 -19.493 1.00 52.34 C ATOM 1470 C SER A 90 -7.133 10.485 -20.970 1.00 12.04 C ATOM 1471 O SER A 90 -7.509 11.590 -21.360 1.00 51.05 O ATOM 1472 CB SER A 90 -6.147 10.545 -18.628 1.00 21.24 C ATOM 1473 OG SER A 90 -4.926 9.977 -19.069 1.00 55.01 O ATOM 0 H SER A 90 -6.715 8.138 -18.957 1.00 61.32 H new ATOM 0 HA SER A 90 -8.238 10.569 -19.132 1.00 52.34 H new ATOM 0 HB2 SER A 90 -6.077 11.632 -18.662 1.00 21.24 H new ATOM 0 HB3 SER A 90 -6.323 10.269 -17.588 1.00 21.24 H new ATOM 0 HG SER A 90 -4.809 9.094 -18.660 1.00 55.01 H new ATOM 1479 N SER A 91 -6.537 9.582 -21.777 1.00 3.21 N ATOM 1480 CA SER A 91 -6.436 9.761 -23.240 1.00 61.43 C ATOM 1481 C SER A 91 -7.791 9.486 -23.937 1.00 51.44 C ATOM 1482 O SER A 91 -8.046 10.013 -25.019 1.00 64.22 O ATOM 1483 CB SER A 91 -5.339 8.835 -23.806 1.00 50.02 C ATOM 1484 OG SER A 91 -5.192 8.975 -25.209 1.00 5.14 O ATOM 0 H SER A 91 -6.116 8.717 -21.437 1.00 3.21 H new ATOM 0 HA SER A 91 -6.168 10.798 -23.440 1.00 61.43 H new ATOM 0 HB2 SER A 91 -4.390 9.059 -23.319 1.00 50.02 H new ATOM 0 HB3 SER A 91 -5.582 7.799 -23.569 1.00 50.02 H new ATOM 0 HG SER A 91 -4.487 8.373 -25.526 1.00 5.14 H new ATOM 1490 N LEU A 92 -8.651 8.651 -23.315 1.00 31.11 N ATOM 1491 CA LEU A 92 -9.979 8.302 -23.876 1.00 4.31 C ATOM 1492 C LEU A 92 -10.995 9.434 -23.639 1.00 22.40 C ATOM 1493 O LEU A 92 -11.784 9.769 -24.529 1.00 53.40 O ATOM 1494 CB LEU A 92 -10.523 6.968 -23.274 1.00 65.51 C ATOM 1495 CG LEU A 92 -9.622 5.699 -23.441 1.00 51.04 C ATOM 1496 CD1 LEU A 92 -10.309 4.436 -22.885 1.00 33.01 C ATOM 1497 CD2 LEU A 92 -9.166 5.505 -24.901 1.00 51.43 C ATOM 0 H LEU A 92 -8.450 8.203 -22.421 1.00 31.11 H new ATOM 0 HA LEU A 92 -9.847 8.166 -24.949 1.00 4.31 H new ATOM 0 HB2 LEU A 92 -10.698 7.122 -22.209 1.00 65.51 H new ATOM 0 HB3 LEU A 92 -11.491 6.760 -23.730 1.00 65.51 H new ATOM 0 HG LEU A 92 -8.723 5.865 -22.847 1.00 51.04 H new ATOM 0 HD11 LEU A 92 -9.653 3.576 -23.019 1.00 33.01 H new ATOM 0 HD12 LEU A 92 -10.517 4.572 -21.824 1.00 33.01 H new ATOM 0 HD13 LEU A 92 -11.244 4.266 -23.419 1.00 33.01 H new ATOM 0 HD21 LEU A 92 -8.543 4.613 -24.972 1.00 51.43 H new ATOM 0 HD22 LEU A 92 -10.039 5.390 -25.543 1.00 51.43 H new ATOM 0 HD23 LEU A 92 -8.593 6.375 -25.222 1.00 51.43 H new ATOM 1509 N ILE A 93 -10.962 10.007 -22.427 1.00 61.53 N ATOM 1510 CA ILE A 93 -11.880 11.079 -22.000 1.00 12.14 C ATOM 1511 C ILE A 93 -11.358 12.438 -22.505 1.00 52.13 C ATOM 1512 O ILE A 93 -12.127 13.267 -23.003 1.00 42.03 O ATOM 1513 CB ILE A 93 -12.021 11.102 -20.426 1.00 51.44 C ATOM 1514 CG1 ILE A 93 -12.502 9.713 -19.894 1.00 21.33 C ATOM 1515 CG2 ILE A 93 -12.985 12.221 -19.961 1.00 61.13 C ATOM 1516 CD1 ILE A 93 -12.487 9.570 -18.381 1.00 53.15 C ATOM 0 H ILE A 93 -10.292 9.738 -21.707 1.00 61.53 H new ATOM 0 HA ILE A 93 -12.864 10.888 -22.427 1.00 12.14 H new ATOM 0 HB ILE A 93 -11.036 11.313 -20.010 1.00 51.44 H new ATOM 0 HG12 ILE A 93 -13.516 9.534 -20.252 1.00 21.33 H new ATOM 0 HG13 ILE A 93 -11.870 8.936 -20.325 1.00 21.33 H new ATOM 0 HG21 ILE A 93 -13.059 12.209 -18.874 1.00 61.13 H new ATOM 0 HG22 ILE A 93 -12.604 13.189 -20.288 1.00 61.13 H new ATOM 0 HG23 ILE A 93 -13.971 12.055 -20.394 1.00 61.13 H new ATOM 0 HD11 ILE A 93 -12.836 8.575 -18.106 1.00 53.15 H new ATOM 0 HD12 ILE A 93 -11.471 9.713 -18.012 1.00 53.15 H new ATOM 0 HD13 ILE A 93 -13.143 10.320 -17.938 1.00 53.15 H new ATOM 1528 N GLY A 94 -10.030 12.635 -22.386 1.00 14.14 N ATOM 1529 CA GLY A 94 -9.374 13.889 -22.772 1.00 72.34 C ATOM 1530 C GLY A 94 -8.141 13.641 -23.636 1.00 42.34 C ATOM 1531 O GLY A 94 -8.175 12.790 -24.527 1.00 1.12 O ATOM 0 H GLY A 94 -9.389 11.930 -22.021 1.00 14.14 H new ATOM 0 HA2 GLY A 94 -10.080 14.516 -23.317 1.00 72.34 H new ATOM 0 HA3 GLY A 94 -9.086 14.439 -21.876 1.00 72.34 H new ATOM 1535 N GLN A 95 -7.054 14.400 -23.385 1.00 2.33 N ATOM 1536 CA GLN A 95 -5.759 14.243 -24.085 1.00 14.03 C ATOM 1537 C GLN A 95 -4.635 14.336 -23.044 1.00 64.22 C ATOM 1538 O GLN A 95 -4.590 15.302 -22.281 1.00 63.43 O ATOM 1539 CB GLN A 95 -5.562 15.353 -25.166 1.00 33.35 C ATOM 1540 CG GLN A 95 -6.570 15.323 -26.331 1.00 42.41 C ATOM 1541 CD GLN A 95 -6.378 16.467 -27.329 1.00 41.21 C ATOM 1542 OE1 GLN A 95 -5.630 16.346 -28.301 1.00 5.24 O ATOM 1543 NE2 GLN A 95 -7.039 17.593 -27.092 1.00 52.52 N ATOM 0 H GLN A 95 -7.049 15.144 -22.687 1.00 2.33 H new ATOM 0 HA GLN A 95 -5.741 13.277 -24.590 1.00 14.03 H new ATOM 0 HB2 GLN A 95 -5.623 16.326 -24.679 1.00 33.35 H new ATOM 0 HB3 GLN A 95 -4.556 15.264 -25.575 1.00 33.35 H new ATOM 0 HG2 GLN A 95 -6.478 14.373 -26.857 1.00 42.41 H new ATOM 0 HG3 GLN A 95 -7.582 15.368 -25.928 1.00 42.41 H new ATOM 0 HE21 GLN A 95 -7.651 17.664 -26.279 1.00 52.52 H new ATOM 0 HE22 GLN A 95 -6.935 18.388 -27.723 1.00 52.52 H new ATOM 1552 N VAL A 96 -3.756 13.320 -22.999 1.00 63.32 N ATOM 1553 CA VAL A 96 -2.581 13.307 -22.109 1.00 5.03 C ATOM 1554 C VAL A 96 -1.534 14.310 -22.622 1.00 32.51 C ATOM 1555 O VAL A 96 -1.035 14.165 -23.740 1.00 65.44 O ATOM 1556 CB VAL A 96 -1.952 11.861 -22.015 1.00 50.34 C ATOM 1557 CG1 VAL A 96 -0.672 11.838 -21.142 1.00 74.14 C ATOM 1558 CG2 VAL A 96 -3.002 10.861 -21.486 1.00 31.01 C ATOM 0 H VAL A 96 -3.840 12.485 -23.578 1.00 63.32 H new ATOM 0 HA VAL A 96 -2.902 13.597 -21.109 1.00 5.03 H new ATOM 0 HB VAL A 96 -1.653 11.561 -23.019 1.00 50.34 H new ATOM 0 HG11 VAL A 96 -0.274 10.824 -21.106 1.00 74.14 H new ATOM 0 HG12 VAL A 96 0.074 12.505 -21.573 1.00 74.14 H new ATOM 0 HG13 VAL A 96 -0.914 12.169 -20.132 1.00 74.14 H new ATOM 0 HG21 VAL A 96 -2.559 9.867 -21.425 1.00 31.01 H new ATOM 0 HG22 VAL A 96 -3.334 11.172 -20.496 1.00 31.01 H new ATOM 0 HG23 VAL A 96 -3.855 10.837 -22.164 1.00 31.01 H new ATOM 1568 N LEU A 97 -1.232 15.333 -21.804 1.00 12.22 N ATOM 1569 CA LEU A 97 -0.260 16.392 -22.157 1.00 62.21 C ATOM 1570 C LEU A 97 1.196 15.874 -22.065 1.00 43.11 C ATOM 1571 O LEU A 97 2.027 16.169 -22.933 1.00 31.32 O ATOM 1572 CB LEU A 97 -0.451 17.651 -21.251 1.00 61.41 C ATOM 1573 CG LEU A 97 -1.712 18.551 -21.518 1.00 0.30 C ATOM 1574 CD1 LEU A 97 -3.034 17.831 -21.188 1.00 52.33 C ATOM 1575 CD2 LEU A 97 -1.605 19.874 -20.735 1.00 2.32 C ATOM 0 H LEU A 97 -1.651 15.452 -20.882 1.00 12.22 H new ATOM 0 HA LEU A 97 -0.450 16.680 -23.191 1.00 62.21 H new ATOM 0 HB2 LEU A 97 -0.489 17.317 -20.214 1.00 61.41 H new ATOM 0 HB3 LEU A 97 0.436 18.276 -21.352 1.00 61.41 H new ATOM 0 HG LEU A 97 -1.728 18.768 -22.586 1.00 0.30 H new ATOM 0 HD11 LEU A 97 -3.872 18.498 -21.391 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -3.125 16.937 -21.804 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.042 17.549 -20.135 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -2.486 20.485 -20.931 1.00 2.32 H new ATOM 0 HD22 LEU A 97 -1.541 19.661 -19.668 1.00 2.32 H new ATOM 0 HD23 LEU A 97 -0.712 20.413 -21.051 1.00 2.32 H new ATOM 1587 N PHE A 98 1.475 15.094 -21.008 1.00 3.34 N ATOM 1588 CA PHE A 98 2.821 14.572 -20.700 1.00 2.14 C ATOM 1589 C PHE A 98 2.709 13.310 -19.819 1.00 41.22 C ATOM 1590 O PHE A 98 3.401 12.315 -20.040 1.00 11.32 O ATOM 1591 CB PHE A 98 3.708 15.670 -20.026 1.00 24.40 C ATOM 1592 CG PHE A 98 3.096 16.359 -18.787 1.00 32.30 C ATOM 1593 CD1 PHE A 98 3.346 15.895 -17.491 1.00 72.55 C ATOM 1594 CD2 PHE A 98 2.267 17.477 -18.924 1.00 64.14 C ATOM 1595 CE1 PHE A 98 2.786 16.520 -16.384 1.00 31.33 C ATOM 1596 CE2 PHE A 98 1.709 18.101 -17.816 1.00 44.03 C ATOM 1597 CZ PHE A 98 1.972 17.621 -16.550 1.00 12.34 C ATOM 0 H PHE A 98 0.766 14.804 -20.335 1.00 3.34 H new ATOM 0 HA PHE A 98 3.312 14.292 -21.632 1.00 2.14 H new ATOM 0 HB2 PHE A 98 4.656 15.217 -19.736 1.00 24.40 H new ATOM 0 HB3 PHE A 98 3.934 16.435 -20.769 1.00 24.40 H new ATOM 0 HD1 PHE A 98 3.985 15.036 -17.349 1.00 72.55 H new ATOM 0 HD2 PHE A 98 2.057 17.863 -19.911 1.00 64.14 H new ATOM 0 HE1 PHE A 98 2.988 16.143 -15.392 1.00 31.33 H new ATOM 0 HE2 PHE A 98 1.069 18.962 -17.946 1.00 44.03 H new ATOM 0 HZ PHE A 98 1.540 18.108 -15.688 1.00 12.34 H new ATOM 1607 N GLN A 99 1.809 13.370 -18.828 1.00 12.44 N ATOM 1608 CA GLN A 99 1.524 12.262 -17.896 1.00 44.24 C ATOM 1609 C GLN A 99 0.027 12.312 -17.582 1.00 41.25 C ATOM 1610 O GLN A 99 -0.456 13.380 -17.221 1.00 23.23 O ATOM 1611 CB GLN A 99 2.357 12.444 -16.593 1.00 24.01 C ATOM 1612 CG GLN A 99 2.122 11.390 -15.486 1.00 11.32 C ATOM 1613 CD GLN A 99 2.489 9.967 -15.893 1.00 41.41 C ATOM 1614 OE1 GLN A 99 1.662 9.214 -16.387 1.00 3.12 O ATOM 1615 NE2 GLN A 99 3.746 9.599 -15.698 1.00 14.45 N ATOM 0 H GLN A 99 1.248 14.202 -18.646 1.00 12.44 H new ATOM 0 HA GLN A 99 1.791 11.300 -18.334 1.00 44.24 H new ATOM 0 HB2 GLN A 99 3.414 12.435 -16.857 1.00 24.01 H new ATOM 0 HB3 GLN A 99 2.140 13.429 -16.181 1.00 24.01 H new ATOM 0 HG2 GLN A 99 2.704 11.666 -14.607 1.00 11.32 H new ATOM 0 HG3 GLN A 99 1.072 11.414 -15.194 1.00 11.32 H new ATOM 0 HE21 GLN A 99 4.410 10.253 -15.283 1.00 14.45 H new ATOM 0 HE22 GLN A 99 4.050 8.662 -15.963 1.00 14.45 H new ATOM 1624 N GLY A 100 -0.690 11.178 -17.740 1.00 21.20 N ATOM 1625 CA GLY A 100 -2.151 11.124 -17.545 1.00 32.02 C ATOM 1626 C GLY A 100 -2.614 11.625 -16.171 1.00 4.34 C ATOM 1627 O GLY A 100 -3.343 12.629 -16.105 1.00 14.33 O ATOM 0 H GLY A 100 -0.275 10.284 -18.004 1.00 21.20 H new ATOM 0 HA2 GLY A 100 -2.633 11.720 -18.320 1.00 32.02 H new ATOM 0 HA3 GLY A 100 -2.488 10.096 -17.678 1.00 32.02 H new ATOM 1631 N PRO A 101 -2.217 10.930 -15.048 1.00 10.22 N ATOM 1632 CA PRO A 101 -2.515 11.376 -13.655 1.00 10.11 C ATOM 1633 C PRO A 101 -2.074 12.831 -13.334 1.00 34.42 C ATOM 1634 O PRO A 101 -2.808 13.582 -12.671 1.00 63.12 O ATOM 1635 CB PRO A 101 -1.723 10.357 -12.783 1.00 21.20 C ATOM 1636 CG PRO A 101 -1.664 9.113 -13.619 1.00 63.52 C ATOM 1637 CD PRO A 101 -1.516 9.601 -15.049 1.00 71.31 C ATOM 0 HA PRO A 101 -3.590 11.394 -13.474 1.00 10.11 H new ATOM 0 HB2 PRO A 101 -0.724 10.726 -12.550 1.00 21.20 H new ATOM 0 HB3 PRO A 101 -2.225 10.173 -11.833 1.00 21.20 H new ATOM 0 HG2 PRO A 101 -0.823 8.483 -13.329 1.00 63.52 H new ATOM 0 HG3 PRO A 101 -2.567 8.514 -13.499 1.00 63.52 H new ATOM 0 HD2 PRO A 101 -0.468 9.702 -15.331 1.00 71.31 H new ATOM 0 HD3 PRO A 101 -1.972 8.909 -15.757 1.00 71.31 H new ATOM 1645 N SER A 102 -0.876 13.214 -13.821 1.00 3.24 N ATOM 1646 CA SER A 102 -0.226 14.502 -13.458 1.00 74.12 C ATOM 1647 C SER A 102 -0.634 15.670 -14.386 1.00 40.45 C ATOM 1648 O SER A 102 -0.275 16.821 -14.113 1.00 65.25 O ATOM 1649 CB SER A 102 1.312 14.335 -13.462 1.00 21.10 C ATOM 1650 OG SER A 102 1.704 13.239 -12.649 1.00 14.23 O ATOM 0 H SER A 102 -0.331 12.649 -14.472 1.00 3.24 H new ATOM 0 HA SER A 102 -0.573 14.760 -12.457 1.00 74.12 H new ATOM 0 HB2 SER A 102 1.662 14.180 -14.482 1.00 21.10 H new ATOM 0 HB3 SER A 102 1.782 15.249 -13.099 1.00 21.10 H new ATOM 0 HG SER A 102 2.680 13.151 -12.667 1.00 14.23 H new ATOM 1656 N ALA A 103 -1.383 15.380 -15.466 1.00 30.44 N ATOM 1657 CA ALA A 103 -1.879 16.426 -16.397 1.00 24.22 C ATOM 1658 C ALA A 103 -3.005 17.244 -15.740 1.00 60.12 C ATOM 1659 O ALA A 103 -3.167 18.438 -16.021 1.00 35.51 O ATOM 1660 CB ALA A 103 -2.363 15.789 -17.718 1.00 75.24 C ATOM 0 H ALA A 103 -1.661 14.432 -15.721 1.00 30.44 H new ATOM 0 HA ALA A 103 -1.056 17.103 -16.626 1.00 24.22 H new ATOM 0 HB1 ALA A 103 -2.723 16.570 -18.388 1.00 75.24 H new ATOM 0 HB2 ALA A 103 -1.536 15.258 -18.190 1.00 75.24 H new ATOM 0 HB3 ALA A 103 -3.172 15.089 -17.509 1.00 75.24 H new ATOM 1666 N GLY A 104 -3.758 16.576 -14.840 1.00 43.21 N ATOM 1667 CA GLY A 104 -4.919 17.176 -14.188 1.00 12.43 C ATOM 1668 C GLY A 104 -6.080 17.328 -15.157 1.00 11.43 C ATOM 1669 O GLY A 104 -6.608 18.427 -15.344 1.00 53.15 O ATOM 0 H GLY A 104 -3.572 15.615 -14.554 1.00 43.21 H new ATOM 0 HA2 GLY A 104 -5.225 16.557 -13.345 1.00 12.43 H new ATOM 0 HA3 GLY A 104 -4.648 18.152 -13.785 1.00 12.43 H new ATOM 1673 N LEU A 105 -6.448 16.210 -15.802 1.00 41.02 N ATOM 1674 CA LEU A 105 -7.570 16.152 -16.761 1.00 32.22 C ATOM 1675 C LEU A 105 -8.918 15.996 -16.023 1.00 2.42 C ATOM 1676 O LEU A 105 -8.964 16.112 -14.793 1.00 74.44 O ATOM 1677 CB LEU A 105 -7.317 15.002 -17.777 1.00 2.25 C ATOM 1678 CG LEU A 105 -6.033 15.155 -18.657 1.00 61.33 C ATOM 1679 CD1 LEU A 105 -5.881 13.982 -19.636 1.00 65.50 C ATOM 1680 CD2 LEU A 105 -6.022 16.500 -19.413 1.00 75.34 C ATOM 0 H LEU A 105 -5.976 15.315 -15.675 1.00 41.02 H new ATOM 0 HA LEU A 105 -7.628 17.089 -17.315 1.00 32.22 H new ATOM 0 HB2 LEU A 105 -7.251 14.063 -17.228 1.00 2.25 H new ATOM 0 HB3 LEU A 105 -8.182 14.926 -18.436 1.00 2.25 H new ATOM 0 HG LEU A 105 -5.178 15.143 -17.981 1.00 61.33 H new ATOM 0 HD11 LEU A 105 -4.979 14.120 -20.232 1.00 65.50 H new ATOM 0 HD12 LEU A 105 -5.808 13.049 -19.077 1.00 65.50 H new ATOM 0 HD13 LEU A 105 -6.749 13.943 -20.295 1.00 65.50 H new ATOM 0 HD21 LEU A 105 -5.116 16.572 -20.014 1.00 75.34 H new ATOM 0 HD22 LEU A 105 -6.895 16.559 -20.064 1.00 75.34 H new ATOM 0 HD23 LEU A 105 -6.048 17.321 -18.696 1.00 75.34 H new ATOM 1692 N VAL A 106 -9.995 15.739 -16.808 1.00 61.03 N ATOM 1693 CA VAL A 106 -11.416 15.733 -16.361 1.00 14.14 C ATOM 1694 C VAL A 106 -11.774 16.981 -15.486 1.00 30.51 C ATOM 1695 O VAL A 106 -12.085 16.859 -14.290 1.00 53.05 O ATOM 1696 CB VAL A 106 -11.890 14.336 -15.720 1.00 71.14 C ATOM 1697 CG1 VAL A 106 -11.709 13.178 -16.730 1.00 14.51 C ATOM 1698 CG2 VAL A 106 -11.191 13.980 -14.382 1.00 14.23 C ATOM 0 H VAL A 106 -9.898 15.523 -17.800 1.00 61.03 H new ATOM 0 HA VAL A 106 -12.011 15.826 -17.269 1.00 14.14 H new ATOM 0 HB VAL A 106 -12.947 14.470 -15.489 1.00 71.14 H new ATOM 0 HG11 VAL A 106 -12.036 12.243 -16.274 1.00 14.51 H new ATOM 0 HG12 VAL A 106 -12.305 13.376 -17.621 1.00 14.51 H new ATOM 0 HG13 VAL A 106 -10.658 13.098 -17.007 1.00 14.51 H new ATOM 0 HG21 VAL A 106 -11.567 13.024 -14.018 1.00 14.23 H new ATOM 0 HG22 VAL A 106 -10.115 13.909 -14.541 1.00 14.23 H new ATOM 0 HG23 VAL A 106 -11.399 14.756 -13.645 1.00 14.23 H new ATOM 1708 N PRO A 107 -11.711 18.232 -16.092 1.00 52.44 N ATOM 1709 CA PRO A 107 -11.960 19.506 -15.356 1.00 72.13 C ATOM 1710 C PRO A 107 -13.403 19.588 -14.822 1.00 35.31 C ATOM 1711 O PRO A 107 -13.631 20.004 -13.688 1.00 54.51 O ATOM 1712 CB PRO A 107 -11.665 20.609 -16.415 1.00 53.54 C ATOM 1713 CG PRO A 107 -11.852 19.931 -17.739 1.00 22.44 C ATOM 1714 CD PRO A 107 -11.404 18.499 -17.534 1.00 42.41 C ATOM 0 HA PRO A 107 -11.336 19.605 -14.468 1.00 72.13 H new ATOM 0 HB2 PRO A 107 -12.344 21.455 -16.305 1.00 53.54 H new ATOM 0 HB3 PRO A 107 -10.652 20.998 -16.309 1.00 53.54 H new ATOM 0 HG2 PRO A 107 -12.894 19.973 -18.057 1.00 22.44 H new ATOM 0 HG3 PRO A 107 -11.262 20.418 -18.515 1.00 22.44 H new ATOM 0 HD2 PRO A 107 -11.940 17.814 -18.191 1.00 42.41 H new ATOM 0 HD3 PRO A 107 -10.342 18.378 -17.746 1.00 42.41 H new ATOM 1722 N ARG A 108 -14.364 19.180 -15.662 1.00 51.20 N ATOM 1723 CA ARG A 108 -15.775 19.098 -15.284 1.00 23.14 C ATOM 1724 C ARG A 108 -16.032 17.727 -14.636 1.00 34.15 C ATOM 1725 O ARG A 108 -15.894 16.689 -15.298 1.00 54.30 O ATOM 1726 CB ARG A 108 -16.669 19.314 -16.531 1.00 72.33 C ATOM 1727 CG ARG A 108 -16.486 20.691 -17.211 1.00 22.35 C ATOM 1728 CD ARG A 108 -17.431 20.897 -18.405 1.00 4.23 C ATOM 1729 NE ARG A 108 -18.851 20.913 -18.002 1.00 60.22 N ATOM 1730 CZ ARG A 108 -19.894 20.747 -18.831 1.00 32.44 C ATOM 1731 NH1 ARG A 108 -19.707 20.539 -20.129 1.00 51.45 N ATOM 1732 NH2 ARG A 108 -21.134 20.803 -18.358 1.00 63.35 N ATOM 0 H ARG A 108 -14.181 18.897 -16.625 1.00 51.20 H new ATOM 0 HA ARG A 108 -16.022 19.878 -14.564 1.00 23.14 H new ATOM 0 HB2 ARG A 108 -16.454 18.531 -17.258 1.00 72.33 H new ATOM 0 HB3 ARG A 108 -17.713 19.201 -16.240 1.00 72.33 H new ATOM 0 HG2 ARG A 108 -16.658 21.479 -16.478 1.00 22.35 H new ATOM 0 HG3 ARG A 108 -15.454 20.790 -17.549 1.00 22.35 H new ATOM 0 HD2 ARG A 108 -17.186 21.836 -18.901 1.00 4.23 H new ATOM 0 HD3 ARG A 108 -17.272 20.101 -19.133 1.00 4.23 H new ATOM 0 HE ARG A 108 -19.056 21.062 -17.014 1.00 60.22 H new ATOM 0 HH11 ARG A 108 -18.761 20.504 -20.509 1.00 51.45 H new ATOM 0 HH12 ARG A 108 -20.509 20.415 -20.746 1.00 51.45 H new ATOM 0 HH21 ARG A 108 -21.294 20.972 -17.365 1.00 63.35 H new ATOM 0 HH22 ARG A 108 -21.926 20.677 -18.988 1.00 63.35 H new ATOM 1746 N GLY A 109 -16.373 17.747 -13.338 1.00 2.44 N ATOM 1747 CA GLY A 109 -16.548 16.541 -12.536 1.00 42.54 C ATOM 1748 C GLY A 109 -17.807 15.751 -12.878 1.00 53.13 C ATOM 1749 O GLY A 109 -18.847 15.928 -12.236 1.00 1.22 O ATOM 0 H GLY A 109 -16.535 18.610 -12.818 1.00 2.44 H new ATOM 0 HA2 GLY A 109 -15.679 15.897 -12.671 1.00 42.54 H new ATOM 0 HA3 GLY A 109 -16.579 16.818 -11.482 1.00 42.54 H new ATOM 1753 N SER A 110 -17.709 14.873 -13.890 1.00 44.34 N ATOM 1754 CA SER A 110 -18.832 14.039 -14.352 1.00 4.05 C ATOM 1755 C SER A 110 -18.907 12.727 -13.522 1.00 25.41 C ATOM 1756 O SER A 110 -18.442 11.671 -13.961 1.00 72.44 O ATOM 1757 CB SER A 110 -18.679 13.764 -15.875 1.00 61.21 C ATOM 1758 OG SER A 110 -19.790 13.046 -16.399 1.00 72.20 O ATOM 0 H SER A 110 -16.846 14.721 -14.413 1.00 44.34 H new ATOM 0 HA SER A 110 -19.774 14.566 -14.199 1.00 4.05 H new ATOM 0 HB2 SER A 110 -18.575 14.710 -16.406 1.00 61.21 H new ATOM 0 HB3 SER A 110 -17.765 13.197 -16.052 1.00 61.21 H new ATOM 0 HG SER A 110 -19.658 12.894 -17.358 1.00 72.20 H new ATOM 1764 N GLY A 111 -19.386 12.875 -12.267 1.00 53.21 N ATOM 1765 CA GLY A 111 -19.787 11.770 -11.374 1.00 34.22 C ATOM 1766 C GLY A 111 -18.791 10.616 -11.232 1.00 72.23 C ATOM 1767 O GLY A 111 -17.812 10.725 -10.481 1.00 55.32 O ATOM 0 H GLY A 111 -19.507 13.792 -11.837 1.00 53.21 H new ATOM 0 HA2 GLY A 111 -19.976 12.183 -10.383 1.00 34.22 H new ATOM 0 HA3 GLY A 111 -20.732 11.364 -11.735 1.00 34.22 H new ATOM 1771 N GLY A 112 -19.053 9.522 -11.987 1.00 54.52 N ATOM 1772 CA GLY A 112 -18.304 8.262 -11.885 1.00 64.33 C ATOM 1773 C GLY A 112 -16.849 8.370 -12.322 1.00 1.34 C ATOM 1774 O GLY A 112 -15.951 7.909 -11.604 1.00 1.12 O ATOM 0 H GLY A 112 -19.796 9.497 -12.686 1.00 54.52 H new ATOM 0 HA2 GLY A 112 -18.338 7.914 -10.853 1.00 64.33 H new ATOM 0 HA3 GLY A 112 -18.800 7.506 -12.493 1.00 64.33 H new ATOM 1778 N ILE A 113 -16.605 8.991 -13.502 1.00 70.14 N ATOM 1779 CA ILE A 113 -15.237 9.139 -14.041 1.00 44.03 C ATOM 1780 C ILE A 113 -14.410 10.107 -13.174 1.00 40.21 C ATOM 1781 O ILE A 113 -13.197 9.935 -13.040 1.00 51.00 O ATOM 1782 CB ILE A 113 -15.206 9.611 -15.548 1.00 45.24 C ATOM 1783 CG1 ILE A 113 -15.787 11.053 -15.715 1.00 43.33 C ATOM 1784 CG2 ILE A 113 -15.955 8.598 -16.453 1.00 33.42 C ATOM 1785 CD1 ILE A 113 -15.615 11.659 -17.097 1.00 10.53 C ATOM 0 H ILE A 113 -17.333 9.393 -14.092 1.00 70.14 H new ATOM 0 HA ILE A 113 -14.793 8.144 -14.009 1.00 44.03 H new ATOM 0 HB ILE A 113 -14.163 9.646 -15.863 1.00 45.24 H new ATOM 0 HG12 ILE A 113 -16.850 11.030 -15.475 1.00 43.33 H new ATOM 0 HG13 ILE A 113 -15.309 11.707 -14.986 1.00 43.33 H new ATOM 0 HG21 ILE A 113 -15.923 8.941 -17.487 1.00 33.42 H new ATOM 0 HG22 ILE A 113 -15.477 7.621 -16.379 1.00 33.42 H new ATOM 0 HG23 ILE A 113 -16.993 8.519 -16.129 1.00 33.42 H new ATOM 0 HD11 ILE A 113 -16.050 12.659 -17.113 1.00 10.53 H new ATOM 0 HD12 ILE A 113 -14.554 11.721 -17.338 1.00 10.53 H new ATOM 0 HD13 ILE A 113 -16.118 11.033 -17.834 1.00 10.53 H new ATOM 1797 N GLU A 114 -15.094 11.107 -12.577 1.00 2.33 N ATOM 1798 CA GLU A 114 -14.468 12.077 -11.677 1.00 34.44 C ATOM 1799 C GLU A 114 -13.919 11.347 -10.457 1.00 22.45 C ATOM 1800 O GLU A 114 -12.716 11.384 -10.212 1.00 23.25 O ATOM 1801 CB GLU A 114 -15.492 13.176 -11.280 1.00 43.23 C ATOM 1802 CG GLU A 114 -14.976 14.276 -10.294 1.00 21.32 C ATOM 1803 CD GLU A 114 -15.052 13.922 -8.791 1.00 44.04 C ATOM 1804 OE1 GLU A 114 -14.012 13.953 -8.091 1.00 61.13 O ATOM 1805 OE2 GLU A 114 -16.167 13.611 -8.310 1.00 73.24 O ATOM 0 H GLU A 114 -16.094 11.257 -12.711 1.00 2.33 H new ATOM 0 HA GLU A 114 -13.638 12.573 -12.181 1.00 34.44 H new ATOM 0 HB2 GLU A 114 -15.838 13.666 -12.190 1.00 43.23 H new ATOM 0 HB3 GLU A 114 -16.358 12.691 -10.830 1.00 43.23 H new ATOM 0 HG2 GLU A 114 -13.939 14.502 -10.543 1.00 21.32 H new ATOM 0 HG3 GLU A 114 -15.550 15.187 -10.463 1.00 21.32 H new ATOM 1812 N GLY A 115 -14.824 10.653 -9.731 1.00 32.11 N ATOM 1813 CA GLY A 115 -14.464 9.878 -8.543 1.00 43.21 C ATOM 1814 C GLY A 115 -13.337 8.888 -8.808 1.00 22.01 C ATOM 1815 O GLY A 115 -12.351 8.865 -8.082 1.00 73.24 O ATOM 0 H GLY A 115 -15.818 10.620 -9.958 1.00 32.11 H new ATOM 0 HA2 GLY A 115 -14.164 10.559 -7.747 1.00 43.21 H new ATOM 0 HA3 GLY A 115 -15.341 9.338 -8.187 1.00 43.21 H new ATOM 1819 N MET A1001 -13.476 8.114 -9.902 1.00 50.13 N ATOM 1820 CA MET A1001 -12.477 7.114 -10.331 1.00 4.04 C ATOM 1821 C MET A1001 -11.070 7.747 -10.465 1.00 52.44 C ATOM 1822 O MET A1001 -10.130 7.346 -9.759 1.00 24.51 O ATOM 1823 CB MET A1001 -12.918 6.480 -11.681 1.00 34.40 C ATOM 1824 CG MET A1001 -11.930 5.464 -12.279 1.00 73.41 C ATOM 1825 SD MET A1001 -12.437 4.869 -13.911 1.00 50.22 S ATOM 1826 CE MET A1001 -12.516 6.386 -14.873 1.00 43.52 C ATOM 0 H MET A1001 -14.289 8.165 -10.517 1.00 50.13 H new ATOM 0 HA MET A1001 -12.418 6.336 -9.569 1.00 4.04 H new ATOM 0 HB2 MET A1001 -13.879 5.987 -11.536 1.00 34.40 H new ATOM 0 HB3 MET A1001 -13.076 7.279 -12.405 1.00 34.40 H new ATOM 0 HG2 MET A1001 -10.945 5.924 -12.355 1.00 73.41 H new ATOM 0 HG3 MET A1001 -11.834 4.615 -11.602 1.00 73.41 H new ATOM 0 HE1 MET A1001 -12.084 6.215 -15.859 1.00 43.52 H new ATOM 0 HE2 MET A1001 -13.556 6.694 -14.981 1.00 43.52 H new ATOM 0 HE3 MET A1001 -11.956 7.170 -14.363 1.00 43.52 H new ATOM 1836 N THR A1002 -10.958 8.775 -11.330 1.00 50.23 N ATOM 1837 CA THR A1002 -9.661 9.396 -11.651 1.00 22.33 C ATOM 1838 C THR A1002 -9.063 10.112 -10.428 1.00 51.11 C ATOM 1839 O THR A1002 -7.946 9.810 -10.037 1.00 53.32 O ATOM 1840 CB THR A1002 -9.761 10.399 -12.844 1.00 4.34 C ATOM 1841 OG1 THR A1002 -10.734 11.409 -12.555 1.00 65.22 O ATOM 1842 CG2 THR A1002 -10.117 9.696 -14.162 1.00 41.55 C ATOM 0 H THR A1002 -11.751 9.191 -11.818 1.00 50.23 H new ATOM 0 HA THR A1002 -9.001 8.581 -11.947 1.00 22.33 H new ATOM 0 HB THR A1002 -8.779 10.856 -12.968 1.00 4.34 H new ATOM 0 HG1 THR A1002 -11.634 11.042 -12.682 1.00 65.22 H new ATOM 0 HG21 THR A1002 -10.176 10.433 -14.963 1.00 41.55 H new ATOM 0 HG22 THR A1002 -9.349 8.960 -14.401 1.00 41.55 H new ATOM 0 HG23 THR A1002 -11.080 9.195 -14.059 1.00 41.55 H new ATOM 1850 N THR A1003 -9.836 11.026 -9.811 1.00 4.20 N ATOM 1851 CA THR A1003 -9.347 11.885 -8.719 1.00 43.22 C ATOM 1852 C THR A1003 -8.894 11.057 -7.496 1.00 4.53 C ATOM 1853 O THR A1003 -7.824 11.324 -6.927 1.00 42.41 O ATOM 1854 CB THR A1003 -10.428 12.921 -8.280 1.00 5.14 C ATOM 1855 OG1 THR A1003 -11.609 12.233 -7.832 1.00 41.10 O ATOM 1856 CG2 THR A1003 -10.785 13.888 -9.429 1.00 71.33 C ATOM 0 H THR A1003 -10.813 11.188 -10.055 1.00 4.20 H new ATOM 0 HA THR A1003 -8.483 12.422 -9.111 1.00 43.22 H new ATOM 0 HB THR A1003 -10.016 13.512 -7.462 1.00 5.14 H new ATOM 0 HG1 THR A1003 -12.096 11.881 -8.606 1.00 41.10 H new ATOM 0 HG21 THR A1003 -11.541 14.595 -9.088 1.00 71.33 H new ATOM 0 HG22 THR A1003 -9.892 14.432 -9.738 1.00 71.33 H new ATOM 0 HG23 THR A1003 -11.175 13.321 -10.274 1.00 71.33 H new ATOM 1864 N ARG A1004 -9.698 10.035 -7.126 1.00 42.33 N ATOM 1865 CA ARG A1004 -9.401 9.184 -5.959 1.00 51.13 C ATOM 1866 C ARG A1004 -8.193 8.282 -6.229 1.00 13.13 C ATOM 1867 O ARG A1004 -7.310 8.189 -5.382 1.00 61.04 O ATOM 1868 CB ARG A1004 -10.644 8.360 -5.532 1.00 54.22 C ATOM 1869 CG ARG A1004 -11.824 9.249 -5.077 1.00 44.13 C ATOM 1870 CD ARG A1004 -13.111 8.462 -4.792 1.00 65.42 C ATOM 1871 NE ARG A1004 -14.264 9.367 -4.616 1.00 71.50 N ATOM 1872 CZ ARG A1004 -15.554 9.002 -4.645 1.00 22.34 C ATOM 1873 NH1 ARG A1004 -15.915 7.732 -4.843 1.00 23.15 N ATOM 1874 NH2 ARG A1004 -16.491 9.927 -4.470 1.00 0.43 N ATOM 0 H ARG A1004 -10.554 9.783 -7.619 1.00 42.33 H new ATOM 0 HA ARG A1004 -9.143 9.838 -5.126 1.00 51.13 H new ATOM 0 HB2 ARG A1004 -10.965 7.737 -6.366 1.00 54.22 H new ATOM 0 HB3 ARG A1004 -10.367 7.688 -4.720 1.00 54.22 H new ATOM 0 HG2 ARG A1004 -11.533 9.792 -4.178 1.00 44.13 H new ATOM 0 HG3 ARG A1004 -12.026 9.993 -5.848 1.00 44.13 H new ATOM 0 HD2 ARG A1004 -13.308 7.773 -5.613 1.00 65.42 H new ATOM 0 HD3 ARG A1004 -12.979 7.858 -3.894 1.00 65.42 H new ATOM 0 HE ARG A1004 -14.062 10.354 -4.459 1.00 71.50 H new ATOM 0 HH11 ARG A1004 -15.203 7.014 -4.976 1.00 23.15 H new ATOM 0 HH12 ARG A1004 -16.903 7.480 -4.861 1.00 23.15 H new ATOM 0 HH21 ARG A1004 -16.225 10.900 -4.316 1.00 0.43 H new ATOM 0 HH22 ARG A1004 -17.477 9.665 -4.489 1.00 0.43 H new ATOM 1888 N LEU A1005 -8.136 7.662 -7.435 1.00 14.25 N ATOM 1889 CA LEU A1005 -7.003 6.793 -7.812 1.00 23.32 C ATOM 1890 C LEU A1005 -5.689 7.594 -7.944 1.00 54.30 C ATOM 1891 O LEU A1005 -4.647 7.115 -7.526 1.00 71.14 O ATOM 1892 CB LEU A1005 -7.287 5.991 -9.116 1.00 63.35 C ATOM 1893 CG LEU A1005 -8.240 4.759 -8.981 1.00 71.21 C ATOM 1894 CD1 LEU A1005 -8.478 4.101 -10.360 1.00 44.24 C ATOM 1895 CD2 LEU A1005 -7.680 3.733 -7.965 1.00 42.41 C ATOM 0 H LEU A1005 -8.855 7.749 -8.153 1.00 14.25 H new ATOM 0 HA LEU A1005 -6.883 6.074 -7.001 1.00 23.32 H new ATOM 0 HB2 LEU A1005 -7.713 6.674 -9.851 1.00 63.35 H new ATOM 0 HB3 LEU A1005 -6.335 5.644 -9.518 1.00 63.35 H new ATOM 0 HG LEU A1005 -9.200 5.111 -8.603 1.00 71.21 H new ATOM 0 HD11 LEU A1005 -9.144 3.246 -10.245 1.00 44.24 H new ATOM 0 HD12 LEU A1005 -8.932 4.826 -11.036 1.00 44.24 H new ATOM 0 HD13 LEU A1005 -7.526 3.767 -10.773 1.00 44.24 H new ATOM 0 HD21 LEU A1005 -8.362 2.886 -7.890 1.00 42.41 H new ATOM 0 HD22 LEU A1005 -6.704 3.384 -8.301 1.00 42.41 H new ATOM 0 HD23 LEU A1005 -7.580 4.206 -6.988 1.00 42.41 H new ATOM 1907 N THR A1006 -5.745 8.821 -8.503 1.00 24.12 N ATOM 1908 CA THR A1006 -4.541 9.671 -8.674 1.00 73.41 C ATOM 1909 C THR A1006 -4.019 10.166 -7.308 1.00 41.15 C ATOM 1910 O THR A1006 -2.805 10.213 -7.084 1.00 13.25 O ATOM 1911 CB THR A1006 -4.792 10.885 -9.633 1.00 3.41 C ATOM 1912 OG1 THR A1006 -5.881 11.683 -9.147 1.00 41.12 O ATOM 1913 CG2 THR A1006 -5.094 10.428 -11.072 1.00 51.13 C ATOM 0 H THR A1006 -6.607 9.247 -8.844 1.00 24.12 H new ATOM 0 HA THR A1006 -3.781 9.044 -9.140 1.00 73.41 H new ATOM 0 HB THR A1006 -3.877 11.478 -9.651 1.00 3.41 H new ATOM 0 HG1 THR A1006 -6.728 11.226 -9.329 1.00 41.12 H new ATOM 0 HG21 THR A1006 -5.262 11.301 -11.703 1.00 51.13 H new ATOM 0 HG22 THR A1006 -4.249 9.858 -11.458 1.00 51.13 H new ATOM 0 HG23 THR A1006 -5.986 9.801 -11.075 1.00 51.13 H new ATOM 1921 N ARG A1007 -4.956 10.505 -6.395 1.00 14.55 N ATOM 1922 CA ARG A1007 -4.637 10.863 -4.994 1.00 45.02 C ATOM 1923 C ARG A1007 -4.062 9.640 -4.243 1.00 0.40 C ATOM 1924 O ARG A1007 -3.183 9.767 -3.384 1.00 4.13 O ATOM 1925 CB ARG A1007 -5.913 11.384 -4.271 1.00 25.41 C ATOM 1926 CG ARG A1007 -5.725 11.744 -2.773 1.00 20.32 C ATOM 1927 CD ARG A1007 -4.688 12.864 -2.551 1.00 4.43 C ATOM 1928 NE ARG A1007 -4.360 13.048 -1.126 1.00 2.01 N ATOM 1929 CZ ARG A1007 -3.506 13.964 -0.642 1.00 72.35 C ATOM 1930 NH1 ARG A1007 -2.870 14.808 -1.458 1.00 1.21 N ATOM 1931 NH2 ARG A1007 -3.284 14.021 0.667 1.00 73.32 N ATOM 0 H ARG A1007 -5.953 10.538 -6.608 1.00 14.55 H new ATOM 0 HA ARG A1007 -3.886 11.653 -4.999 1.00 45.02 H new ATOM 0 HB2 ARG A1007 -6.274 12.267 -4.798 1.00 25.41 H new ATOM 0 HB3 ARG A1007 -6.691 10.625 -4.351 1.00 25.41 H new ATOM 0 HG2 ARG A1007 -6.683 12.055 -2.356 1.00 20.32 H new ATOM 0 HG3 ARG A1007 -5.413 10.854 -2.227 1.00 20.32 H new ATOM 0 HD2 ARG A1007 -3.778 12.629 -3.103 1.00 4.43 H new ATOM 0 HD3 ARG A1007 -5.074 13.799 -2.956 1.00 4.43 H new ATOM 0 HE ARG A1007 -4.818 12.431 -0.455 1.00 2.01 H new ATOM 0 HH11 ARG A1007 -3.030 14.762 -2.464 1.00 1.21 H new ATOM 0 HH12 ARG A1007 -2.224 15.498 -1.075 1.00 1.21 H new ATOM 0 HH21 ARG A1007 -3.761 13.373 1.294 1.00 73.32 H new ATOM 0 HH22 ARG A1007 -2.637 14.713 1.045 1.00 73.32 H new ATOM 1945 N TRP A1008 -4.588 8.465 -4.596 1.00 2.53 N ATOM 1946 CA TRP A1008 -4.135 7.173 -4.080 1.00 11.23 C ATOM 1947 C TRP A1008 -2.696 6.903 -4.552 1.00 54.02 C ATOM 1948 O TRP A1008 -1.874 6.514 -3.743 1.00 63.42 O ATOM 1949 CB TRP A1008 -5.175 6.072 -4.491 1.00 20.54 C ATOM 1950 CG TRP A1008 -4.653 4.692 -4.822 1.00 34.23 C ATOM 1951 CD1 TRP A1008 -4.202 4.275 -6.034 1.00 35.22 C ATOM 1952 CD2 TRP A1008 -4.596 3.539 -3.967 1.00 62.45 C ATOM 1953 NE1 TRP A1008 -3.819 2.972 -5.973 1.00 24.52 N ATOM 1954 CE2 TRP A1008 -4.069 2.487 -4.731 1.00 23.23 C ATOM 1955 CE3 TRP A1008 -4.930 3.293 -2.641 1.00 62.12 C ATOM 1956 CZ2 TRP A1008 -3.875 1.212 -4.225 1.00 33.35 C ATOM 1957 CZ3 TRP A1008 -4.733 2.028 -2.129 1.00 72.24 C ATOM 1958 CH2 TRP A1008 -4.213 1.000 -2.922 1.00 1.20 C ATOM 0 H TRP A1008 -5.356 8.384 -5.262 1.00 2.53 H new ATOM 0 HA TRP A1008 -4.091 7.166 -2.991 1.00 11.23 H new ATOM 0 HB2 TRP A1008 -5.894 5.971 -3.678 1.00 20.54 H new ATOM 0 HB3 TRP A1008 -5.724 6.438 -5.358 1.00 20.54 H new ATOM 0 HD1 TRP A1008 -4.155 4.891 -6.920 1.00 35.22 H new ATOM 0 HE1 TRP A1008 -3.408 2.442 -6.741 1.00 24.52 H new ATOM 0 HE3 TRP A1008 -5.337 4.079 -2.022 1.00 62.12 H new ATOM 0 HZ2 TRP A1008 -3.473 0.419 -4.838 1.00 33.35 H new ATOM 0 HZ3 TRP A1008 -4.985 1.828 -1.098 1.00 72.24 H new ATOM 0 HH2 TRP A1008 -4.077 0.018 -2.493 1.00 1.20 H new ATOM 1969 N LEU A1009 -2.383 7.225 -5.836 1.00 63.54 N ATOM 1970 CA LEU A1009 -1.041 6.984 -6.431 1.00 61.05 C ATOM 1971 C LEU A1009 -0.023 7.974 -5.828 1.00 31.12 C ATOM 1972 O LEU A1009 1.166 7.664 -5.701 1.00 21.00 O ATOM 1973 CB LEU A1009 -1.061 7.133 -7.987 1.00 11.44 C ATOM 1974 CG LEU A1009 -1.995 6.172 -8.804 1.00 33.32 C ATOM 1975 CD1 LEU A1009 -1.902 6.462 -10.320 1.00 74.05 C ATOM 1976 CD2 LEU A1009 -1.703 4.687 -8.512 1.00 65.31 C ATOM 0 H LEU A1009 -3.046 7.654 -6.481 1.00 63.54 H new ATOM 0 HA LEU A1009 -0.750 5.960 -6.198 1.00 61.05 H new ATOM 0 HB2 LEU A1009 -1.348 8.158 -8.221 1.00 11.44 H new ATOM 0 HB3 LEU A1009 -0.042 6.997 -8.349 1.00 11.44 H new ATOM 0 HG LEU A1009 -3.016 6.370 -8.477 1.00 33.32 H new ATOM 0 HD11 LEU A1009 -2.559 5.782 -10.862 1.00 74.05 H new ATOM 0 HD12 LEU A1009 -2.206 7.491 -10.513 1.00 74.05 H new ATOM 0 HD13 LEU A1009 -0.875 6.318 -10.656 1.00 74.05 H new ATOM 0 HD21 LEU A1009 -2.374 4.062 -9.101 1.00 65.31 H new ATOM 0 HD22 LEU A1009 -0.670 4.460 -8.777 1.00 65.31 H new ATOM 0 HD23 LEU A1009 -1.858 4.487 -7.452 1.00 65.31 H new ATOM 1988 N THR A1010 -0.533 9.165 -5.471 1.00 10.30 N ATOM 1989 CA THR A1010 0.212 10.205 -4.750 1.00 13.22 C ATOM 1990 C THR A1010 0.588 9.707 -3.333 1.00 50.31 C ATOM 1991 O THR A1010 1.732 9.861 -2.884 1.00 41.11 O ATOM 1992 CB THR A1010 -0.665 11.510 -4.670 1.00 53.40 C ATOM 1993 OG1 THR A1010 -0.907 12.031 -5.989 1.00 11.41 O ATOM 1994 CG2 THR A1010 -0.035 12.601 -3.799 1.00 1.54 C ATOM 0 H THR A1010 -1.494 9.435 -5.681 1.00 10.30 H new ATOM 0 HA THR A1010 1.135 10.431 -5.284 1.00 13.22 H new ATOM 0 HB THR A1010 -1.606 11.221 -4.201 1.00 53.40 H new ATOM 0 HG1 THR A1010 -1.557 11.462 -6.452 1.00 11.41 H new ATOM 0 HG21 THR A1010 -0.686 13.475 -3.783 1.00 1.54 H new ATOM 0 HG22 THR A1010 0.094 12.226 -2.784 1.00 1.54 H new ATOM 0 HG23 THR A1010 0.936 12.879 -4.210 1.00 1.54 H new ATOM 2002 N ALA A1011 -0.395 9.082 -2.655 1.00 31.35 N ATOM 2003 CA ALA A1011 -0.224 8.526 -1.301 1.00 32.30 C ATOM 2004 C ALA A1011 0.660 7.265 -1.317 1.00 20.34 C ATOM 2005 O ALA A1011 1.353 6.973 -0.334 1.00 11.33 O ATOM 2006 CB ALA A1011 -1.594 8.220 -0.687 1.00 41.02 C ATOM 0 H ALA A1011 -1.333 8.949 -3.034 1.00 31.35 H new ATOM 0 HA ALA A1011 0.283 9.271 -0.687 1.00 32.30 H new ATOM 0 HB1 ALA A1011 -1.461 7.809 0.314 1.00 41.02 H new ATOM 0 HB2 ALA A1011 -2.179 9.138 -0.628 1.00 41.02 H new ATOM 0 HB3 ALA A1011 -2.118 7.495 -1.310 1.00 41.02 H new ATOM 2012 N LEU A1012 0.627 6.533 -2.451 1.00 24.34 N ATOM 2013 CA LEU A1012 1.468 5.342 -2.664 1.00 41.30 C ATOM 2014 C LEU A1012 2.931 5.777 -2.823 1.00 10.31 C ATOM 2015 O LEU A1012 3.831 5.158 -2.284 1.00 51.30 O ATOM 2016 CB LEU A1012 1.047 4.531 -3.931 1.00 52.35 C ATOM 2017 CG LEU A1012 -0.385 3.902 -3.978 1.00 10.15 C ATOM 2018 CD1 LEU A1012 -0.500 2.894 -5.143 1.00 43.41 C ATOM 2019 CD2 LEU A1012 -0.797 3.271 -2.636 1.00 34.34 C ATOM 0 H LEU A1012 0.018 6.752 -3.240 1.00 24.34 H new ATOM 0 HA LEU A1012 1.340 4.696 -1.795 1.00 41.30 H new ATOM 0 HB2 LEU A1012 1.147 5.190 -4.794 1.00 52.35 H new ATOM 0 HB3 LEU A1012 1.767 3.723 -4.061 1.00 52.35 H new ATOM 0 HG LEU A1012 -1.089 4.714 -4.160 1.00 10.15 H new ATOM 0 HD11 LEU A1012 -1.503 2.468 -5.158 1.00 43.41 H new ATOM 0 HD12 LEU A1012 -0.309 3.405 -6.087 1.00 43.41 H new ATOM 0 HD13 LEU A1012 0.231 2.097 -5.008 1.00 43.41 H new ATOM 0 HD21 LEU A1012 -1.798 2.850 -2.724 1.00 34.34 H new ATOM 0 HD22 LEU A1012 -0.093 2.481 -2.374 1.00 34.34 H new ATOM 0 HD23 LEU A1012 -0.792 4.035 -1.858 1.00 34.34 H new ATOM 2031 N ASP A1013 3.131 6.846 -3.618 1.00 14.13 N ATOM 2032 CA ASP A1013 4.454 7.449 -3.876 1.00 71.22 C ATOM 2033 C ASP A1013 5.066 7.987 -2.568 1.00 32.32 C ATOM 2034 O ASP A1013 6.268 7.828 -2.321 1.00 32.31 O ATOM 2035 CB ASP A1013 4.318 8.586 -4.931 1.00 62.54 C ATOM 2036 CG ASP A1013 5.636 9.332 -5.221 1.00 61.51 C ATOM 2037 OD1 ASP A1013 5.785 10.505 -4.810 1.00 63.32 O ATOM 2038 OD2 ASP A1013 6.535 8.747 -5.861 1.00 73.40 O ATOM 0 H ASP A1013 2.370 7.321 -4.105 1.00 14.13 H new ATOM 0 HA ASP A1013 5.122 6.684 -4.270 1.00 71.22 H new ATOM 0 HB2 ASP A1013 3.940 8.162 -5.861 1.00 62.54 H new ATOM 0 HB3 ASP A1013 3.575 9.304 -4.583 1.00 62.54 H new ATOM 2043 N ASN A1014 4.198 8.600 -1.735 1.00 35.44 N ATOM 2044 CA ASN A1014 4.569 9.130 -0.410 1.00 12.52 C ATOM 2045 C ASN A1014 5.049 7.997 0.515 1.00 2.34 C ATOM 2046 O ASN A1014 6.136 8.086 1.106 1.00 30.12 O ATOM 2047 CB ASN A1014 3.369 9.875 0.231 1.00 14.33 C ATOM 2048 CG ASN A1014 3.670 10.474 1.614 1.00 34.14 C ATOM 2049 OD1 ASN A1014 2.812 10.466 2.498 1.00 35.14 O ATOM 2050 ND2 ASN A1014 4.867 11.025 1.805 1.00 44.01 N ATOM 0 H ASN A1014 3.215 8.741 -1.967 1.00 35.44 H new ATOM 0 HA ASN A1014 5.388 9.836 -0.543 1.00 12.52 H new ATOM 0 HB2 ASN A1014 3.052 10.675 -0.438 1.00 14.33 H new ATOM 0 HB3 ASN A1014 2.531 9.183 0.321 1.00 14.33 H new ATOM 0 HD21 ASN A1014 5.093 11.455 2.702 1.00 44.01 H new ATOM 0 HD22 ASN A1014 5.558 11.017 1.055 1.00 44.01 H new ATOM 2057 N PHE A1015 4.224 6.928 0.606 1.00 72.35 N ATOM 2058 CA PHE A1015 4.521 5.739 1.414 1.00 4.23 C ATOM 2059 C PHE A1015 5.850 5.124 0.974 1.00 23.45 C ATOM 2060 O PHE A1015 6.777 5.076 1.760 1.00 73.45 O ATOM 2061 CB PHE A1015 3.375 4.707 1.273 1.00 0.05 C ATOM 2062 CG PHE A1015 3.678 3.321 1.856 1.00 22.31 C ATOM 2063 CD1 PHE A1015 3.798 2.210 1.027 1.00 33.40 C ATOM 2064 CD2 PHE A1015 3.836 3.129 3.226 1.00 70.43 C ATOM 2065 CE1 PHE A1015 4.059 0.955 1.539 1.00 34.11 C ATOM 2066 CE2 PHE A1015 4.102 1.872 3.741 1.00 60.34 C ATOM 2067 CZ PHE A1015 4.210 0.787 2.896 1.00 65.01 C ATOM 0 H PHE A1015 3.331 6.873 0.116 1.00 72.35 H new ATOM 0 HA PHE A1015 4.603 6.030 2.461 1.00 4.23 H new ATOM 0 HB2 PHE A1015 2.486 5.104 1.762 1.00 0.05 H new ATOM 0 HB3 PHE A1015 3.134 4.596 0.216 1.00 0.05 H new ATOM 0 HD1 PHE A1015 3.684 2.332 -0.040 1.00 33.40 H new ATOM 0 HD2 PHE A1015 3.750 3.972 3.896 1.00 70.43 H new ATOM 0 HE1 PHE A1015 4.144 0.107 0.876 1.00 34.11 H new ATOM 0 HE2 PHE A1015 4.225 1.741 4.806 1.00 60.34 H new ATOM 0 HZ PHE A1015 4.413 -0.194 3.300 1.00 65.01 H new ATOM 2077 N GLU A1016 5.902 4.716 -0.309 1.00 70.30 N ATOM 2078 CA GLU A1016 7.083 4.131 -0.980 1.00 52.14 C ATOM 2079 C GLU A1016 8.379 4.867 -0.608 1.00 53.43 C ATOM 2080 O GLU A1016 9.318 4.257 -0.077 1.00 4.44 O ATOM 2081 CB GLU A1016 6.846 4.208 -2.511 1.00 4.02 C ATOM 2082 CG GLU A1016 7.980 3.663 -3.393 1.00 1.23 C ATOM 2083 CD GLU A1016 7.733 3.943 -4.882 1.00 1.22 C ATOM 2084 OE1 GLU A1016 7.125 3.101 -5.571 1.00 62.40 O ATOM 2085 OE2 GLU A1016 8.121 5.025 -5.365 1.00 13.33 O ATOM 0 H GLU A1016 5.096 4.786 -0.930 1.00 70.30 H new ATOM 0 HA GLU A1016 7.203 3.098 -0.655 1.00 52.14 H new ATOM 0 HB2 GLU A1016 5.933 3.660 -2.746 1.00 4.02 H new ATOM 0 HB3 GLU A1016 6.671 5.250 -2.780 1.00 4.02 H new ATOM 0 HG2 GLU A1016 8.924 4.115 -3.090 1.00 1.23 H new ATOM 0 HG3 GLU A1016 8.077 2.589 -3.237 1.00 1.23 H new ATOM 2092 N ALA A1017 8.370 6.193 -0.826 1.00 21.53 N ATOM 2093 CA ALA A1017 9.525 7.059 -0.571 1.00 64.11 C ATOM 2094 C ALA A1017 9.956 7.044 0.904 1.00 43.34 C ATOM 2095 O ALA A1017 11.075 6.639 1.226 1.00 63.25 O ATOM 2096 CB ALA A1017 9.203 8.489 -1.008 1.00 34.32 C ATOM 0 H ALA A1017 7.557 6.692 -1.185 1.00 21.53 H new ATOM 0 HA ALA A1017 10.360 6.670 -1.153 1.00 64.11 H new ATOM 0 HB1 ALA A1017 10.063 9.130 -0.817 1.00 34.32 H new ATOM 0 HB2 ALA A1017 8.971 8.500 -2.073 1.00 34.32 H new ATOM 0 HB3 ALA A1017 8.345 8.857 -0.446 1.00 34.32 H new ATOM 2102 N LYS A1018 9.034 7.450 1.792 1.00 51.32 N ATOM 2103 CA LYS A1018 9.334 7.695 3.217 1.00 34.24 C ATOM 2104 C LYS A1018 9.609 6.383 3.980 1.00 54.40 C ATOM 2105 O LYS A1018 10.416 6.349 4.923 1.00 74.32 O ATOM 2106 CB LYS A1018 8.164 8.486 3.865 1.00 22.43 C ATOM 2107 CG LYS A1018 7.850 9.848 3.188 1.00 3.13 C ATOM 2108 CD LYS A1018 9.030 10.864 3.202 1.00 75.04 C ATOM 2109 CE LYS A1018 9.180 11.624 4.546 1.00 23.11 C ATOM 2110 NZ LYS A1018 9.501 10.745 5.713 1.00 65.10 N ATOM 0 H LYS A1018 8.059 7.618 1.545 1.00 51.32 H new ATOM 0 HA LYS A1018 10.245 8.290 3.279 1.00 34.24 H new ATOM 0 HB2 LYS A1018 7.267 7.867 3.840 1.00 22.43 H new ATOM 0 HB3 LYS A1018 8.400 8.663 4.914 1.00 22.43 H new ATOM 0 HG2 LYS A1018 7.556 9.666 2.154 1.00 3.13 H new ATOM 0 HG3 LYS A1018 6.993 10.299 3.688 1.00 3.13 H new ATOM 0 HD2 LYS A1018 9.958 10.333 2.989 1.00 75.04 H new ATOM 0 HD3 LYS A1018 8.885 11.587 2.400 1.00 75.04 H new ATOM 0 HE2 LYS A1018 9.965 12.373 4.442 1.00 23.11 H new ATOM 0 HE3 LYS A1018 8.254 12.160 4.753 1.00 23.11 H new ATOM 0 HZ1 LYS A1018 10.048 11.285 6.414 1.00 65.10 H new ATOM 0 HZ2 LYS A1018 8.618 10.409 6.147 1.00 65.10 H new ATOM 0 HZ3 LYS A1018 10.060 9.930 5.390 1.00 65.10 H new ATOM 2124 N MET A1019 8.966 5.292 3.535 1.00 61.42 N ATOM 2125 CA MET A1019 9.113 3.979 4.171 1.00 23.52 C ATOM 2126 C MET A1019 10.413 3.303 3.692 1.00 22.32 C ATOM 2127 O MET A1019 10.993 2.488 4.414 1.00 53.04 O ATOM 2128 CB MET A1019 7.869 3.071 3.939 1.00 31.31 C ATOM 2129 CG MET A1019 7.842 2.265 2.612 1.00 63.14 C ATOM 2130 SD MET A1019 7.445 0.527 2.873 1.00 32.43 S ATOM 2131 CE MET A1019 8.663 0.094 4.107 1.00 71.15 C ATOM 0 H MET A1019 8.336 5.297 2.732 1.00 61.42 H new ATOM 0 HA MET A1019 9.180 4.131 5.248 1.00 23.52 H new ATOM 0 HB2 MET A1019 7.800 2.367 4.768 1.00 31.31 H new ATOM 0 HB3 MET A1019 6.977 3.697 3.977 1.00 31.31 H new ATOM 0 HG2 MET A1019 7.108 2.705 1.937 1.00 63.14 H new ATOM 0 HG3 MET A1019 8.813 2.344 2.122 1.00 63.14 H new ATOM 0 HE1 MET A1019 8.231 -0.618 4.810 1.00 71.15 H new ATOM 0 HE2 MET A1019 9.529 -0.355 3.621 1.00 71.15 H new ATOM 0 HE3 MET A1019 8.973 0.991 4.643 1.00 71.15 H new ATOM 2141 N ALA A1020 10.857 3.637 2.460 1.00 4.03 N ATOM 2142 CA ALA A1020 12.202 3.262 1.991 1.00 64.23 C ATOM 2143 C ALA A1020 13.261 4.029 2.809 1.00 40.14 C ATOM 2144 O ALA A1020 14.308 3.472 3.154 1.00 23.34 O ATOM 2145 CB ALA A1020 12.357 3.531 0.485 1.00 52.45 C ATOM 0 H ALA A1020 10.306 4.161 1.780 1.00 4.03 H new ATOM 0 HA ALA A1020 12.347 2.192 2.142 1.00 64.23 H new ATOM 0 HB1 ALA A1020 13.359 3.245 0.166 1.00 52.45 H new ATOM 0 HB2 ALA A1020 11.620 2.947 -0.067 1.00 52.45 H new ATOM 0 HB3 ALA A1020 12.202 4.592 0.287 1.00 52.45 H new ATOM 2151 N LEU A1021 12.943 5.302 3.141 1.00 74.24 N ATOM 2152 CA LEU A1021 13.826 6.180 3.931 1.00 2.31 C ATOM 2153 C LEU A1021 13.897 5.759 5.412 1.00 31.54 C ATOM 2154 O LEU A1021 14.855 6.143 6.086 1.00 42.13 O ATOM 2155 CB LEU A1021 13.382 7.667 3.819 1.00 54.33 C ATOM 2156 CG LEU A1021 13.490 8.315 2.405 1.00 14.30 C ATOM 2157 CD1 LEU A1021 12.983 9.774 2.423 1.00 11.54 C ATOM 2158 CD2 LEU A1021 14.932 8.220 1.857 1.00 70.22 C ATOM 0 H LEU A1021 12.066 5.746 2.867 1.00 74.24 H new ATOM 0 HA LEU A1021 14.826 6.076 3.510 1.00 2.31 H new ATOM 0 HB2 LEU A1021 12.346 7.741 4.151 1.00 54.33 H new ATOM 0 HB3 LEU A1021 13.982 8.256 4.512 1.00 54.33 H new ATOM 0 HG LEU A1021 12.847 7.753 1.728 1.00 14.30 H new ATOM 0 HD11 LEU A1021 13.070 10.202 1.424 1.00 11.54 H new ATOM 0 HD12 LEU A1021 11.939 9.793 2.736 1.00 11.54 H new ATOM 0 HD13 LEU A1021 13.582 10.359 3.121 1.00 11.54 H new ATOM 0 HD21 LEU A1021 14.977 8.680 0.870 1.00 70.22 H new ATOM 0 HD22 LEU A1021 15.612 8.740 2.531 1.00 70.22 H new ATOM 0 HD23 LEU A1021 15.225 7.173 1.783 1.00 70.22 H new ATOM 2170 N LEU A1022 12.860 5.032 5.916 1.00 24.21 N ATOM 2171 CA LEU A1022 12.889 4.399 7.269 1.00 1.43 C ATOM 2172 C LEU A1022 14.227 3.647 7.498 1.00 50.32 C ATOM 2173 O LEU A1022 14.444 2.594 6.888 1.00 63.34 O ATOM 2174 CB LEU A1022 11.706 3.396 7.463 1.00 55.43 C ATOM 2175 CG LEU A1022 10.286 4.004 7.655 1.00 74.21 C ATOM 2176 CD1 LEU A1022 9.225 2.885 7.765 1.00 31.11 C ATOM 2177 CD2 LEU A1022 10.240 4.930 8.884 1.00 72.04 C ATOM 0 H LEU A1022 11.992 4.869 5.405 1.00 24.21 H new ATOM 0 HA LEU A1022 12.790 5.205 7.996 1.00 1.43 H new ATOM 0 HB2 LEU A1022 11.677 2.735 6.597 1.00 55.43 H new ATOM 0 HB3 LEU A1022 11.928 2.774 8.330 1.00 55.43 H new ATOM 0 HG LEU A1022 10.055 4.608 6.777 1.00 74.21 H new ATOM 0 HD11 LEU A1022 8.239 3.330 7.899 1.00 31.11 H new ATOM 0 HD12 LEU A1022 9.232 2.286 6.854 1.00 31.11 H new ATOM 0 HD13 LEU A1022 9.455 2.249 8.620 1.00 31.11 H new ATOM 0 HD21 LEU A1022 9.236 5.340 8.993 1.00 72.04 H new ATOM 0 HD22 LEU A1022 10.499 4.362 9.777 1.00 72.04 H new ATOM 0 HD23 LEU A1022 10.952 5.744 8.753 1.00 72.04 H new ATOM 2189 N PRO A1023 15.150 4.179 8.368 1.00 62.41 N ATOM 2190 CA PRO A1023 16.434 3.510 8.681 1.00 20.13 C ATOM 2191 C PRO A1023 16.287 2.515 9.859 1.00 3.43 C ATOM 2192 O PRO A1023 17.280 2.044 10.407 1.00 11.45 O ATOM 2193 CB PRO A1023 17.337 4.717 9.036 1.00 42.32 C ATOM 2194 CG PRO A1023 16.420 5.695 9.715 1.00 14.43 C ATOM 2195 CD PRO A1023 15.029 5.466 9.122 1.00 24.33 C ATOM 0 HA PRO A1023 16.828 2.897 7.870 1.00 20.13 H new ATOM 0 HB2 PRO A1023 18.155 4.420 9.693 1.00 42.32 H new ATOM 0 HB3 PRO A1023 17.787 5.151 8.143 1.00 42.32 H new ATOM 0 HG2 PRO A1023 16.413 5.537 10.793 1.00 14.43 H new ATOM 0 HG3 PRO A1023 16.751 6.720 9.545 1.00 14.43 H new ATOM 0 HD2 PRO A1023 14.271 5.399 9.902 1.00 24.33 H new ATOM 0 HD3 PRO A1023 14.738 6.285 8.465 1.00 24.33 H new ATOM 2203 N ALA A1024 15.027 2.224 10.220 1.00 42.33 N ATOM 2204 CA ALA A1024 14.663 1.360 11.350 1.00 50.00 C ATOM 2205 C ALA A1024 14.525 -0.113 10.920 1.00 21.01 C ATOM 2206 O ALA A1024 14.689 -1.023 11.745 1.00 50.44 O ATOM 2207 CB ALA A1024 13.362 1.892 11.964 1.00 43.14 C ATOM 0 H ALA A1024 14.216 2.592 9.722 1.00 42.33 H new ATOM 0 HA ALA A1024 15.457 1.384 12.096 1.00 50.00 H new ATOM 0 HB1 ALA A1024 13.074 1.263 12.806 1.00 43.14 H new ATOM 0 HB2 ALA A1024 13.514 2.914 12.310 1.00 43.14 H new ATOM 0 HB3 ALA A1024 12.572 1.877 11.213 1.00 43.14 H new ATOM 2213 N VAL A1025 14.191 -0.342 9.634 1.00 3.22 N ATOM 2214 CA VAL A1025 14.116 -1.691 9.029 1.00 74.34 C ATOM 2215 C VAL A1025 14.954 -1.691 7.726 1.00 73.24 C ATOM 2216 O VAL A1025 15.936 -2.462 7.628 1.00 5.44 O ATOM 2217 CB VAL A1025 12.628 -2.143 8.716 1.00 3.23 C ATOM 2218 CG1 VAL A1025 12.582 -3.611 8.216 1.00 63.04 C ATOM 2219 CG2 VAL A1025 11.708 -1.948 9.945 1.00 4.23 C ATOM 2220 OXT VAL A1025 14.655 -0.877 6.829 1.00 37.35 O ATOM 0 H VAL A1025 13.964 0.407 8.980 1.00 3.22 H new ATOM 0 HA VAL A1025 14.512 -2.407 9.749 1.00 74.34 H new ATOM 0 HB VAL A1025 12.253 -1.504 7.917 1.00 3.23 H new ATOM 0 HG11 VAL A1025 11.550 -3.893 8.010 1.00 63.04 H new ATOM 0 HG12 VAL A1025 13.173 -3.704 7.305 1.00 63.04 H new ATOM 0 HG13 VAL A1025 12.992 -4.269 8.982 1.00 63.04 H new ATOM 0 HG21 VAL A1025 10.696 -2.267 9.696 1.00 4.23 H new ATOM 0 HG22 VAL A1025 12.082 -2.544 10.778 1.00 4.23 H new ATOM 0 HG23 VAL A1025 11.697 -0.895 10.228 1.00 4.23 H new TER 2230 VAL A1025