USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 673 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 156:sc= -3.45 (180deg=-4.51!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -132:sc= -0.312 (180deg=-1.24) USER MOD Single : A 15 THR OG1 : rot -39:sc= -0.997 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 65:sc= 0.743 USER MOD Single : A 33 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -138:sc= -0.0234 (180deg=-1.26) USER MOD Single : A 39 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.5!) USER MOD Single : A 41 LYS NZ :NH3+ -127:sc= 0.834 (180deg=0.0715) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -6.86! C(o=-6.9!,f=-6.5!) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00933) USER MOD Single : A 57 GLN : amide:sc= -1.88 X(o=-1.9,f=-2) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.29) USER MOD Single : A 70 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= -1.23 (180deg=-1.4) USER MOD Single : A 73 SER OG : rot 180:sc= 0.331 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -3.9 X(o=-3.9,f=-4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.16) USER MOD Single : A 97 HIS : no HD1:sc=-0.000614 X(o=-0.00061,f=-0.00061) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.384 19.283 -4.519 1.00 13.00 N ATOM 2 CA GLY A 1 -16.280 18.605 -3.867 1.00 45.03 C ATOM 3 C GLY A 1 -15.072 18.460 -4.772 1.00 53.03 C ATOM 4 O GLY A 1 -14.978 17.506 -5.544 1.00 43.11 O ATOM 0 H1 GLY A 1 -18.184 19.357 -3.859 1.00 13.00 H new ATOM 0 H2 GLY A 1 -17.084 20.236 -4.808 1.00 13.00 H new ATOM 0 H3 GLY A 1 -17.676 18.743 -5.358 1.00 13.00 H new ATOM 0 HA2 GLY A 1 -15.995 19.159 -2.972 1.00 45.03 H new ATOM 0 HA3 GLY A 1 -16.606 17.617 -3.541 1.00 45.03 H new ATOM 8 N SER A 2 -14.147 19.410 -4.679 1.00 71.32 N ATOM 9 CA SER A 2 -12.942 19.387 -5.499 1.00 52.24 C ATOM 10 C SER A 2 -11.815 20.171 -4.833 1.00 35.25 C ATOM 11 O SER A 2 -12.020 21.287 -4.351 1.00 12.30 O ATOM 12 CB SER A 2 -13.233 19.967 -6.885 1.00 45.30 C ATOM 13 OG SER A 2 -12.031 20.294 -7.563 1.00 34.42 O ATOM 0 H SER A 2 -14.209 20.205 -4.044 1.00 71.32 H new ATOM 0 HA SER A 2 -12.624 18.350 -5.606 1.00 52.24 H new ATOM 0 HB2 SER A 2 -13.801 19.246 -7.473 1.00 45.30 H new ATOM 0 HB3 SER A 2 -13.853 20.858 -6.787 1.00 45.30 H new ATOM 0 HG SER A 2 -12.243 20.661 -8.446 1.00 34.42 H new ATOM 18 N LEU A 3 -10.626 19.581 -4.809 1.00 54.13 N ATOM 19 CA LEU A 3 -9.466 20.222 -4.201 1.00 3.15 C ATOM 20 C LEU A 3 -8.249 20.125 -5.117 1.00 72.21 C ATOM 21 O LEU A 3 -8.188 19.266 -5.997 1.00 63.20 O ATOM 22 CB LEU A 3 -9.152 19.581 -2.849 1.00 54.13 C ATOM 23 CG LEU A 3 -9.353 18.068 -2.761 1.00 55.32 C ATOM 24 CD1 LEU A 3 -10.836 17.726 -2.731 1.00 43.31 C ATOM 25 CD2 LEU A 3 -8.667 17.369 -3.927 1.00 22.31 C ATOM 0 H LEU A 3 -10.440 18.659 -5.204 1.00 54.13 H new ATOM 0 HA LEU A 3 -9.703 21.275 -4.049 1.00 3.15 H new ATOM 0 HB2 LEU A 3 -8.116 19.805 -2.595 1.00 54.13 H new ATOM 0 HB3 LEU A 3 -9.776 20.055 -2.091 1.00 54.13 H new ATOM 0 HG LEU A 3 -8.901 17.715 -1.834 1.00 55.32 H new ATOM 0 HD11 LEU A 3 -10.959 16.645 -2.668 1.00 43.31 H new ATOM 0 HD12 LEU A 3 -11.300 18.195 -1.863 1.00 43.31 H new ATOM 0 HD13 LEU A 3 -11.313 18.093 -3.640 1.00 43.31 H new ATOM 0 HD21 LEU A 3 -8.821 16.293 -3.848 1.00 22.31 H new ATOM 0 HD22 LEU A 3 -9.089 17.728 -4.866 1.00 22.31 H new ATOM 0 HD23 LEU A 3 -7.599 17.586 -3.904 1.00 22.31 H new ATOM 36 N VAL A 4 -7.281 21.011 -4.901 1.00 4.44 N ATOM 37 CA VAL A 4 -6.064 21.023 -5.705 1.00 71.21 C ATOM 38 C VAL A 4 -4.921 20.318 -4.982 1.00 34.12 C ATOM 39 O VAL A 4 -4.668 20.545 -3.799 1.00 1.44 O ATOM 40 CB VAL A 4 -5.632 22.462 -6.045 1.00 45.24 C ATOM 41 CG1 VAL A 4 -4.372 22.453 -6.899 1.00 73.33 C ATOM 42 CG2 VAL A 4 -6.757 23.203 -6.750 1.00 4.14 C ATOM 0 H VAL A 4 -7.316 21.729 -4.177 1.00 4.44 H new ATOM 0 HA VAL A 4 -6.289 20.490 -6.629 1.00 71.21 H new ATOM 0 HB VAL A 4 -5.409 22.986 -5.115 1.00 45.24 H new ATOM 0 HG11 VAL A 4 -4.081 23.478 -7.130 1.00 73.33 H new ATOM 0 HG12 VAL A 4 -3.566 21.961 -6.354 1.00 73.33 H new ATOM 0 HG13 VAL A 4 -4.565 21.913 -7.826 1.00 73.33 H new ATOM 0 HG21 VAL A 4 -6.434 24.218 -6.983 1.00 4.14 H new ATOM 0 HG22 VAL A 4 -7.013 22.683 -7.673 1.00 4.14 H new ATOM 0 HG23 VAL A 4 -7.631 23.240 -6.100 1.00 4.14 H new ATOM 52 N PRO A 5 -4.215 19.441 -5.710 1.00 65.43 N ATOM 53 CA PRO A 5 -3.086 18.684 -5.158 1.00 3.45 C ATOM 54 C PRO A 5 -1.878 19.571 -4.873 1.00 31.43 C ATOM 55 O PRO A 5 -1.861 20.747 -5.234 1.00 32.24 O ATOM 56 CB PRO A 5 -2.760 17.678 -6.265 1.00 51.13 C ATOM 57 CG PRO A 5 -3.250 18.318 -7.516 1.00 2.25 C ATOM 58 CD PRO A 5 -4.461 19.120 -7.125 1.00 20.10 C ATOM 0 HA PRO A 5 -3.333 18.223 -4.202 1.00 3.45 H new ATOM 0 HB2 PRO A 5 -1.690 17.479 -6.316 1.00 51.13 H new ATOM 0 HB3 PRO A 5 -3.254 16.723 -6.089 1.00 51.13 H new ATOM 0 HG2 PRO A 5 -2.483 18.957 -7.953 1.00 2.25 H new ATOM 0 HG3 PRO A 5 -3.504 17.567 -8.265 1.00 2.25 H new ATOM 0 HD2 PRO A 5 -4.559 20.021 -7.730 1.00 20.10 H new ATOM 0 HD3 PRO A 5 -5.380 18.548 -7.253 1.00 20.10 H new ATOM 63 N ARG A 6 -0.870 18.999 -4.222 1.00 13.21 N ATOM 64 CA ARG A 6 0.341 19.738 -3.887 1.00 15.32 C ATOM 65 C ARG A 6 1.525 19.244 -4.714 1.00 24.01 C ATOM 66 O ARG A 6 2.278 20.039 -5.274 1.00 11.31 O ATOM 67 CB ARG A 6 0.653 19.599 -2.396 1.00 3.35 C ATOM 68 CG ARG A 6 2.012 20.154 -2.004 1.00 1.13 C ATOM 69 CD ARG A 6 2.013 20.670 -0.574 1.00 34.42 C ATOM 70 NE ARG A 6 1.085 21.784 -0.395 1.00 70.33 N ATOM 71 CZ ARG A 6 1.338 23.023 -0.798 1.00 32.22 C ATOM 72 NH1 ARG A 6 2.484 23.307 -1.402 1.00 13.31 N ATOM 73 NH2 ARG A 6 0.444 23.984 -0.599 1.00 41.02 N ATOM 0 H ARG A 6 -0.868 18.026 -3.916 1.00 13.21 H new ATOM 0 HA ARG A 6 0.171 20.789 -4.119 1.00 15.32 H new ATOM 0 HB2 ARG A 6 -0.119 20.112 -1.823 1.00 3.35 H new ATOM 0 HB3 ARG A 6 0.607 18.545 -2.121 1.00 3.35 H new ATOM 0 HG2 ARG A 6 2.768 19.376 -2.112 1.00 1.13 H new ATOM 0 HG3 ARG A 6 2.286 20.961 -2.683 1.00 1.13 H new ATOM 0 HD2 ARG A 6 1.743 19.860 0.104 1.00 34.42 H new ATOM 0 HD3 ARG A 6 3.020 20.989 -0.304 1.00 34.42 H new ATOM 0 HE ARG A 6 0.194 21.599 0.065 1.00 70.33 H new ATOM 0 HH11 ARG A 6 3.174 22.572 -1.558 1.00 13.31 H new ATOM 0 HH12 ARG A 6 2.675 24.260 -1.711 1.00 13.31 H new ATOM 0 HH21 ARG A 6 -0.439 23.771 -0.136 1.00 41.02 H new ATOM 0 HH22 ARG A 6 0.640 24.936 -0.909 1.00 41.02 H new ATOM 84 N GLY A 7 1.683 17.925 -4.784 1.00 24.44 N ATOM 85 CA GLY A 7 2.777 17.349 -5.542 1.00 42.25 C ATOM 86 C GLY A 7 2.450 17.207 -7.015 1.00 11.33 C ATOM 87 O GLY A 7 3.287 16.771 -7.805 1.00 50.34 O ATOM 0 H GLY A 7 1.073 17.246 -4.329 1.00 24.44 H new ATOM 0 HA2 GLY A 7 3.663 17.974 -5.428 1.00 42.25 H new ATOM 0 HA3 GLY A 7 3.023 16.370 -5.132 1.00 42.25 H new ATOM 91 N SER A 8 1.228 17.575 -7.387 1.00 55.42 N ATOM 92 CA SER A 8 0.789 17.481 -8.775 1.00 60.33 C ATOM 93 C SER A 8 0.780 16.030 -9.245 1.00 64.01 C ATOM 94 O SER A 8 0.943 15.751 -10.433 1.00 74.24 O ATOM 95 CB SER A 8 1.701 18.316 -9.676 1.00 10.25 C ATOM 96 OG SER A 8 0.954 18.981 -10.681 1.00 71.22 O ATOM 0 H SER A 8 0.524 17.941 -6.746 1.00 55.42 H new ATOM 0 HA SER A 8 -0.227 17.870 -8.837 1.00 60.33 H new ATOM 0 HB2 SER A 8 2.240 19.048 -9.075 1.00 10.25 H new ATOM 0 HB3 SER A 8 2.448 17.672 -10.140 1.00 10.25 H new ATOM 0 HG SER A 8 1.559 19.509 -11.243 1.00 71.22 H new ATOM 101 N MET A 9 0.591 15.111 -8.304 1.00 14.11 N ATOM 102 CA MET A 9 0.560 13.688 -8.622 1.00 14.30 C ATOM 103 C MET A 9 -0.871 13.160 -8.613 1.00 74.11 C ATOM 104 O MET A 9 -1.635 13.429 -7.686 1.00 32.41 O ATOM 105 CB MET A 9 1.412 12.902 -7.623 1.00 30.14 C ATOM 106 CG MET A 9 2.733 13.575 -7.291 1.00 62.42 C ATOM 107 SD MET A 9 4.022 13.210 -8.498 1.00 51.03 S ATOM 108 CE MET A 9 3.529 14.273 -9.852 1.00 71.11 C ATOM 0 H MET A 9 0.457 15.326 -7.316 1.00 14.11 H new ATOM 0 HA MET A 9 0.971 13.556 -9.623 1.00 14.30 H new ATOM 0 HB2 MET A 9 0.843 12.762 -6.704 1.00 30.14 H new ATOM 0 HB3 MET A 9 1.611 11.910 -8.029 1.00 30.14 H new ATOM 0 HG2 MET A 9 2.584 14.654 -7.240 1.00 62.42 H new ATOM 0 HG3 MET A 9 3.063 13.251 -6.304 1.00 62.42 H new ATOM 0 HE1 MET A 9 4.396 14.497 -10.473 1.00 71.11 H new ATOM 0 HE2 MET A 9 2.772 13.769 -10.453 1.00 71.11 H new ATOM 0 HE3 MET A 9 3.118 15.201 -9.455 1.00 71.11 H new ATOM 116 N GLN A 10 -1.227 12.409 -9.650 1.00 73.44 N ATOM 117 CA GLN A 10 -2.567 11.845 -9.760 1.00 61.21 C ATOM 118 C GLN A 10 -2.506 10.359 -10.096 1.00 71.14 C ATOM 119 O GLN A 10 -1.659 9.923 -10.877 1.00 32.51 O ATOM 120 CB GLN A 10 -3.369 12.589 -10.829 1.00 35.20 C ATOM 121 CG GLN A 10 -3.407 14.094 -10.624 1.00 3.00 C ATOM 122 CD GLN A 10 -2.934 14.861 -11.843 1.00 60.11 C ATOM 123 OE1 GLN A 10 -3.740 15.348 -12.636 1.00 14.35 O ATOM 124 NE2 GLN A 10 -1.620 14.974 -11.999 1.00 10.44 N ATOM 0 H GLN A 10 -0.607 12.177 -10.426 1.00 73.44 H new ATOM 0 HA GLN A 10 -3.063 11.961 -8.797 1.00 61.21 H new ATOM 0 HB2 GLN A 10 -2.940 12.375 -11.808 1.00 35.20 H new ATOM 0 HB3 GLN A 10 -4.389 12.206 -10.838 1.00 35.20 H new ATOM 0 HG2 GLN A 10 -4.425 14.398 -10.381 1.00 3.00 H new ATOM 0 HG3 GLN A 10 -2.783 14.356 -9.770 1.00 3.00 H new ATOM 0 HE21 GLN A 10 -0.988 14.555 -11.317 1.00 10.44 H new ATOM 0 HE22 GLN A 10 -1.243 15.480 -12.800 1.00 10.44 H new ATOM 131 N ILE A 11 -3.408 9.585 -9.501 1.00 72.41 N ATOM 132 CA ILE A 11 -3.457 8.147 -9.738 1.00 24.02 C ATOM 133 C ILE A 11 -4.885 7.623 -9.642 1.00 32.11 C ATOM 134 O ILE A 11 -5.804 8.356 -9.275 1.00 41.21 O ATOM 135 CB ILE A 11 -2.573 7.382 -8.737 1.00 64.41 C ATOM 136 CG1 ILE A 11 -1.852 6.229 -9.438 1.00 62.45 C ATOM 137 CG2 ILE A 11 -3.411 6.863 -7.578 1.00 32.43 C ATOM 138 CD1 ILE A 11 -1.605 5.036 -8.540 1.00 2.33 C ATOM 0 H ILE A 11 -4.115 9.930 -8.851 1.00 72.41 H new ATOM 0 HA ILE A 11 -3.078 7.980 -10.746 1.00 24.02 H new ATOM 0 HB ILE A 11 -1.824 8.067 -8.340 1.00 64.41 H new ATOM 0 HG12 ILE A 11 -2.442 5.911 -10.297 1.00 62.45 H new ATOM 0 HG13 ILE A 11 -0.897 6.588 -9.822 1.00 62.45 H new ATOM 0 HG21 ILE A 11 -2.771 6.324 -6.879 1.00 32.43 H new ATOM 0 HG22 ILE A 11 -3.883 7.702 -7.066 1.00 32.43 H new ATOM 0 HG23 ILE A 11 -4.180 6.191 -7.958 1.00 32.43 H new ATOM 0 HD11 ILE A 11 -1.091 4.257 -9.103 1.00 2.33 H new ATOM 0 HD12 ILE A 11 -0.989 5.339 -7.694 1.00 2.33 H new ATOM 0 HD13 ILE A 11 -2.558 4.651 -8.176 1.00 2.33 H new ATOM 149 N PHE A 12 -5.065 6.348 -9.973 1.00 22.23 N ATOM 150 CA PHE A 12 -6.383 5.724 -9.924 1.00 64.21 C ATOM 151 C PHE A 12 -6.494 4.785 -8.726 1.00 32.12 C ATOM 152 O PHE A 12 -5.712 3.846 -8.584 1.00 41.02 O ATOM 153 CB PHE A 12 -6.653 4.953 -11.218 1.00 32.15 C ATOM 154 CG PHE A 12 -7.591 5.663 -12.153 1.00 51.22 C ATOM 155 CD1 PHE A 12 -8.840 6.076 -11.720 1.00 34.12 C ATOM 156 CD2 PHE A 12 -7.223 5.915 -13.465 1.00 72.32 C ATOM 157 CE1 PHE A 12 -9.705 6.729 -12.578 1.00 73.41 C ATOM 158 CE2 PHE A 12 -8.083 6.568 -14.326 1.00 14.45 C ATOM 159 CZ PHE A 12 -9.326 6.974 -13.883 1.00 15.42 C ATOM 0 H PHE A 12 -4.315 5.727 -10.278 1.00 22.23 H new ATOM 0 HA PHE A 12 -7.128 6.512 -9.817 1.00 64.21 H new ATOM 0 HB2 PHE A 12 -5.707 4.775 -11.730 1.00 32.15 H new ATOM 0 HB3 PHE A 12 -7.069 3.977 -10.970 1.00 32.15 H new ATOM 0 HD1 PHE A 12 -9.142 5.886 -10.701 1.00 34.12 H new ATOM 0 HD2 PHE A 12 -6.253 5.597 -13.818 1.00 72.32 H new ATOM 0 HE1 PHE A 12 -10.676 7.047 -12.228 1.00 73.41 H new ATOM 0 HE2 PHE A 12 -7.783 6.761 -15.345 1.00 14.45 H new ATOM 0 HZ PHE A 12 -10.001 7.482 -14.556 1.00 15.42 H new ATOM 168 N VAL A 13 -7.474 5.048 -7.867 1.00 71.04 N ATOM 169 CA VAL A 13 -7.690 4.226 -6.681 1.00 24.51 C ATOM 170 C VAL A 13 -9.162 3.861 -6.527 1.00 21.51 C ATOM 171 O VAL A 13 -10.040 4.720 -6.620 1.00 74.34 O ATOM 172 CB VAL A 13 -7.215 4.947 -5.405 1.00 24.44 C ATOM 173 CG1 VAL A 13 -7.257 4.004 -4.212 1.00 23.55 C ATOM 174 CG2 VAL A 13 -5.815 5.511 -5.602 1.00 54.44 C ATOM 0 H VAL A 13 -8.130 5.822 -7.970 1.00 71.04 H new ATOM 0 HA VAL A 13 -7.105 3.316 -6.815 1.00 24.51 H new ATOM 0 HB VAL A 13 -7.891 5.778 -5.204 1.00 24.44 H new ATOM 0 HG11 VAL A 13 -6.918 4.531 -3.320 1.00 23.55 H new ATOM 0 HG12 VAL A 13 -8.278 3.654 -4.061 1.00 23.55 H new ATOM 0 HG13 VAL A 13 -6.605 3.151 -4.399 1.00 23.55 H new ATOM 0 HG21 VAL A 13 -5.495 6.017 -4.691 1.00 54.44 H new ATOM 0 HG22 VAL A 13 -5.124 4.699 -5.828 1.00 54.44 H new ATOM 0 HG23 VAL A 13 -5.822 6.222 -6.428 1.00 54.44 H new ATOM 184 N LYS A 14 -9.426 2.581 -6.290 1.00 30.41 N ATOM 185 CA LYS A 14 -10.792 2.099 -6.121 1.00 31.51 C ATOM 186 C LYS A 14 -10.979 1.466 -4.745 1.00 20.42 C ATOM 187 O LYS A 14 -10.241 0.558 -4.363 1.00 71.52 O ATOM 188 CB LYS A 14 -11.137 1.084 -7.212 1.00 62.04 C ATOM 189 CG LYS A 14 -10.998 1.635 -8.621 1.00 30.12 C ATOM 190 CD LYS A 14 -12.262 2.353 -9.065 1.00 14.30 C ATOM 191 CE LYS A 14 -12.016 3.197 -10.306 1.00 14.13 C ATOM 192 NZ LYS A 14 -10.941 4.204 -10.088 1.00 21.13 N ATOM 0 H LYS A 14 -8.711 1.858 -6.210 1.00 30.41 H new ATOM 0 HA LYS A 14 -11.464 2.953 -6.204 1.00 31.51 H new ATOM 0 HB2 LYS A 14 -10.489 0.214 -7.105 1.00 62.04 H new ATOM 0 HB3 LYS A 14 -12.160 0.739 -7.065 1.00 62.04 H new ATOM 0 HG2 LYS A 14 -10.154 2.323 -8.662 1.00 30.12 H new ATOM 0 HG3 LYS A 14 -10.779 0.820 -9.312 1.00 30.12 H new ATOM 0 HD2 LYS A 14 -13.044 1.622 -9.270 1.00 14.30 H new ATOM 0 HD3 LYS A 14 -12.624 2.989 -8.257 1.00 14.30 H new ATOM 0 HE2 LYS A 14 -11.742 2.548 -11.138 1.00 14.13 H new ATOM 0 HE3 LYS A 14 -12.938 3.705 -10.588 1.00 14.13 H new ATOM 0 HZ1 LYS A 14 -11.263 5.134 -10.424 1.00 21.13 H new ATOM 0 HZ2 LYS A 14 -10.718 4.260 -9.074 1.00 21.13 H new ATOM 0 HZ3 LYS A 14 -10.089 3.922 -10.614 1.00 21.13 H new ATOM 202 N THR A 15 -11.973 1.951 -4.005 1.00 5.13 N ATOM 203 CA THR A 15 -12.256 1.433 -2.674 1.00 54.20 C ATOM 204 C THR A 15 -13.107 0.170 -2.745 1.00 21.30 C ATOM 205 O THR A 15 -13.413 -0.325 -3.831 1.00 21.44 O ATOM 206 CB THR A 15 -12.983 2.479 -1.807 1.00 0.01 C ATOM 207 OG1 THR A 15 -14.328 2.650 -2.270 1.00 65.44 O ATOM 208 CG2 THR A 15 -12.254 3.814 -1.846 1.00 60.51 C ATOM 0 H THR A 15 -12.594 2.702 -4.307 1.00 5.13 H new ATOM 0 HA THR A 15 -11.295 1.196 -2.216 1.00 54.20 H new ATOM 0 HB THR A 15 -12.997 2.120 -0.778 1.00 0.01 H new ATOM 0 HG1 THR A 15 -14.343 2.624 -3.250 1.00 65.44 H new ATOM 0 HG21 THR A 15 -12.785 4.537 -1.227 1.00 60.51 H new ATOM 0 HG22 THR A 15 -11.240 3.686 -1.466 1.00 60.51 H new ATOM 0 HG23 THR A 15 -12.213 4.176 -2.873 1.00 60.51 H new ATOM 216 N LEU A 16 -13.488 -0.348 -1.582 1.00 45.32 N ATOM 217 CA LEU A 16 -14.304 -1.555 -1.513 1.00 35.52 C ATOM 218 C LEU A 16 -15.762 -1.246 -1.844 1.00 25.54 C ATOM 219 O LEU A 16 -16.468 -2.073 -2.422 1.00 72.34 O ATOM 220 CB LEU A 16 -14.209 -2.180 -0.121 1.00 44.15 C ATOM 221 CG LEU A 16 -12.814 -2.212 0.506 1.00 45.10 C ATOM 222 CD1 LEU A 16 -12.701 -1.175 1.612 1.00 0.11 C ATOM 223 CD2 LEU A 16 -12.501 -3.602 1.041 1.00 12.11 C ATOM 0 H LEU A 16 -13.245 0.049 -0.674 1.00 45.32 H new ATOM 0 HA LEU A 16 -13.924 -2.263 -2.250 1.00 35.52 H new ATOM 0 HB2 LEU A 16 -14.874 -1.633 0.547 1.00 44.15 H new ATOM 0 HB3 LEU A 16 -14.584 -3.202 -0.177 1.00 44.15 H new ATOM 0 HG LEU A 16 -12.084 -1.969 -0.267 1.00 45.10 H new ATOM 0 HD11 LEU A 16 -11.702 -1.213 2.046 1.00 0.11 H new ATOM 0 HD12 LEU A 16 -12.880 -0.182 1.199 1.00 0.11 H new ATOM 0 HD13 LEU A 16 -13.440 -1.385 2.385 1.00 0.11 H new ATOM 0 HD21 LEU A 16 -11.505 -3.606 1.483 1.00 12.11 H new ATOM 0 HD22 LEU A 16 -13.236 -3.874 1.799 1.00 12.11 H new ATOM 0 HD23 LEU A 16 -12.538 -4.323 0.224 1.00 12.11 H new ATOM 234 N THR A 17 -16.205 -0.047 -1.477 1.00 73.13 N ATOM 235 CA THR A 17 -17.577 0.372 -1.736 1.00 31.34 C ATOM 236 C THR A 17 -17.730 0.908 -3.155 1.00 52.14 C ATOM 237 O THR A 17 -18.782 0.758 -3.775 1.00 33.41 O ATOM 238 CB THR A 17 -18.031 1.455 -0.739 1.00 44.11 C ATOM 239 OG1 THR A 17 -19.443 1.663 -0.851 1.00 74.21 O ATOM 240 CG2 THR A 17 -17.298 2.764 -0.993 1.00 34.42 C ATOM 0 H THR A 17 -15.634 0.650 -1.000 1.00 73.13 H new ATOM 0 HA THR A 17 -18.205 -0.510 -1.614 1.00 31.34 H new ATOM 0 HB THR A 17 -17.794 1.113 0.269 1.00 44.11 H new ATOM 0 HG1 THR A 17 -19.724 2.352 -0.213 1.00 74.21 H new ATOM 0 HG21 THR A 17 -17.634 3.514 -0.277 1.00 34.42 H new ATOM 0 HG22 THR A 17 -16.225 2.608 -0.878 1.00 34.42 H new ATOM 0 HG23 THR A 17 -17.508 3.108 -2.006 1.00 34.42 H new ATOM 248 N GLY A 18 -16.672 1.531 -3.665 1.00 70.13 N ATOM 249 CA GLY A 18 -16.710 2.079 -5.008 1.00 63.15 C ATOM 250 C GLY A 18 -16.154 3.487 -5.076 1.00 51.32 C ATOM 251 O GLY A 18 -15.935 4.024 -6.161 1.00 5.34 O ATOM 0 H GLY A 18 -15.789 1.666 -3.172 1.00 70.13 H new ATOM 0 HA2 GLY A 18 -16.140 1.434 -5.676 1.00 63.15 H new ATOM 0 HA3 GLY A 18 -17.739 2.080 -5.367 1.00 63.15 H new ATOM 255 N LYS A 19 -15.929 4.089 -3.913 1.00 64.02 N ATOM 256 CA LYS A 19 -15.395 5.444 -3.844 1.00 73.42 C ATOM 257 C LYS A 19 -14.013 5.519 -4.482 1.00 5.53 C ATOM 258 O LYS A 19 -13.250 4.552 -4.455 1.00 72.41 O ATOM 259 CB LYS A 19 -15.321 5.911 -2.387 1.00 54.40 C ATOM 260 CG LYS A 19 -16.051 7.218 -2.130 1.00 3.13 C ATOM 261 CD LYS A 19 -17.538 7.094 -2.418 1.00 72.12 C ATOM 262 CE LYS A 19 -18.360 7.161 -1.140 1.00 64.14 C ATOM 263 NZ LYS A 19 -19.817 7.271 -1.422 1.00 1.35 N ATOM 0 H LYS A 19 -16.108 3.660 -3.005 1.00 64.02 H new ATOM 0 HA LYS A 19 -16.067 6.100 -4.397 1.00 73.42 H new ATOM 0 HB2 LYS A 19 -15.741 5.137 -1.744 1.00 54.40 H new ATOM 0 HB3 LYS A 19 -14.275 6.027 -2.104 1.00 54.40 H new ATOM 0 HG2 LYS A 19 -15.905 7.519 -1.093 1.00 3.13 H new ATOM 0 HG3 LYS A 19 -15.623 8.003 -2.753 1.00 3.13 H new ATOM 0 HD2 LYS A 19 -17.847 7.892 -3.093 1.00 72.12 H new ATOM 0 HD3 LYS A 19 -17.734 6.151 -2.929 1.00 72.12 H new ATOM 0 HE2 LYS A 19 -18.173 6.270 -0.541 1.00 64.14 H new ATOM 0 HE3 LYS A 19 -18.039 8.017 -0.547 1.00 64.14 H new ATOM 0 HZ1 LYS A 19 -20.342 7.314 -0.525 1.00 1.35 H new ATOM 0 HZ2 LYS A 19 -20.000 8.134 -1.972 1.00 1.35 H new ATOM 0 HZ3 LYS A 19 -20.129 6.441 -1.966 1.00 1.35 H new ATOM 273 N THR A 20 -13.694 6.675 -5.059 1.00 42.14 N ATOM 274 CA THR A 20 -12.403 6.876 -5.704 1.00 44.42 C ATOM 275 C THR A 20 -11.637 8.023 -5.056 1.00 2.40 C ATOM 276 O THR A 20 -12.207 9.073 -4.761 1.00 21.15 O ATOM 277 CB THR A 20 -12.566 7.167 -7.209 1.00 72.41 C ATOM 278 OG1 THR A 20 -13.560 6.302 -7.769 1.00 44.40 O ATOM 279 CG2 THR A 20 -11.248 6.976 -7.943 1.00 21.44 C ATOM 0 H THR A 20 -14.313 7.485 -5.092 1.00 42.14 H new ATOM 0 HA THR A 20 -11.840 5.951 -5.579 1.00 44.42 H new ATOM 0 HB THR A 20 -12.880 8.204 -7.325 1.00 72.41 H new ATOM 0 HG1 THR A 20 -13.659 6.494 -8.725 1.00 44.40 H new ATOM 0 HG21 THR A 20 -11.388 7.187 -9.003 1.00 21.44 H new ATOM 0 HG22 THR A 20 -10.501 7.656 -7.533 1.00 21.44 H new ATOM 0 HG23 THR A 20 -10.908 5.948 -7.820 1.00 21.44 H new ATOM 287 N ILE A 21 -10.342 7.816 -4.839 1.00 1.44 N ATOM 288 CA ILE A 21 -9.499 8.835 -4.228 1.00 45.20 C ATOM 289 C ILE A 21 -8.198 9.011 -5.005 1.00 1.34 C ATOM 290 O ILE A 21 -7.562 8.035 -5.404 1.00 12.34 O ATOM 291 CB ILE A 21 -9.164 8.486 -2.765 1.00 12.13 C ATOM 292 CG1 ILE A 21 -8.739 7.021 -2.652 1.00 72.45 C ATOM 293 CG2 ILE A 21 -10.360 8.768 -1.868 1.00 51.14 C ATOM 294 CD1 ILE A 21 -9.901 6.065 -2.497 1.00 74.32 C ATOM 0 H ILE A 21 -9.855 6.952 -5.077 1.00 1.44 H new ATOM 0 HA ILE A 21 -10.064 9.767 -4.252 1.00 45.20 H new ATOM 0 HB ILE A 21 -8.333 9.111 -2.438 1.00 12.13 H new ATOM 0 HG12 ILE A 21 -8.169 6.747 -3.540 1.00 72.45 H new ATOM 0 HG13 ILE A 21 -8.071 6.910 -1.798 1.00 72.45 H new ATOM 0 HG21 ILE A 21 -10.109 8.517 -0.837 1.00 51.14 H new ATOM 0 HG22 ILE A 21 -10.621 9.824 -1.931 1.00 51.14 H new ATOM 0 HG23 ILE A 21 -11.208 8.165 -2.192 1.00 51.14 H new ATOM 0 HD11 ILE A 21 -9.525 5.045 -2.423 1.00 74.32 H new ATOM 0 HD12 ILE A 21 -10.458 6.313 -1.594 1.00 74.32 H new ATOM 0 HD13 ILE A 21 -10.558 6.148 -3.363 1.00 74.32 H new ATOM 305 N THR A 22 -7.807 10.264 -5.217 1.00 14.05 N ATOM 306 CA THR A 22 -6.583 10.570 -5.947 1.00 72.42 C ATOM 307 C THR A 22 -5.355 10.386 -5.062 1.00 1.10 C ATOM 308 O THR A 22 -5.301 10.898 -3.942 1.00 13.44 O ATOM 309 CB THR A 22 -6.598 12.010 -6.491 1.00 31.34 C ATOM 310 OG1 THR A 22 -7.947 12.442 -6.698 1.00 14.33 O ATOM 311 CG2 THR A 22 -5.824 12.104 -7.797 1.00 53.11 C ATOM 0 H THR A 22 -8.321 11.084 -4.893 1.00 14.05 H new ATOM 0 HA THR A 22 -6.532 9.874 -6.784 1.00 72.42 H new ATOM 0 HB THR A 22 -6.119 12.657 -5.756 1.00 31.34 H new ATOM 0 HG1 THR A 22 -7.947 13.359 -7.042 1.00 14.33 H new ATOM 0 HG21 THR A 22 -5.849 13.131 -8.162 1.00 53.11 H new ATOM 0 HG22 THR A 22 -4.790 11.803 -7.629 1.00 53.11 H new ATOM 0 HG23 THR A 22 -6.278 11.445 -8.537 1.00 53.11 H new ATOM 319 N LEU A 23 -4.370 9.652 -5.569 1.00 32.04 N ATOM 320 CA LEU A 23 -3.141 9.402 -4.825 1.00 51.23 C ATOM 321 C LEU A 23 -1.917 9.789 -5.648 1.00 4.20 C ATOM 322 O LEU A 23 -1.984 9.875 -6.873 1.00 11.40 O ATOM 323 CB LEU A 23 -3.055 7.928 -4.425 1.00 13.14 C ATOM 324 CG LEU A 23 -3.434 7.601 -2.980 1.00 44.22 C ATOM 325 CD1 LEU A 23 -4.937 7.411 -2.851 1.00 44.10 C ATOM 326 CD2 LEU A 23 -2.694 6.359 -2.503 1.00 33.01 C ATOM 0 H LEU A 23 -4.399 9.220 -6.492 1.00 32.04 H new ATOM 0 HA LEU A 23 -3.159 10.017 -3.925 1.00 51.23 H new ATOM 0 HB2 LEU A 23 -3.702 7.354 -5.088 1.00 13.14 H new ATOM 0 HB3 LEU A 23 -2.035 7.584 -4.599 1.00 13.14 H new ATOM 0 HG LEU A 23 -3.140 8.440 -2.349 1.00 44.22 H new ATOM 0 HD11 LEU A 23 -5.187 7.179 -1.816 1.00 44.10 H new ATOM 0 HD12 LEU A 23 -5.447 8.327 -3.151 1.00 44.10 H new ATOM 0 HD13 LEU A 23 -5.257 6.591 -3.494 1.00 44.10 H new ATOM 0 HD21 LEU A 23 -2.976 6.141 -1.473 1.00 33.01 H new ATOM 0 HD22 LEU A 23 -2.957 5.513 -3.138 1.00 33.01 H new ATOM 0 HD23 LEU A 23 -1.619 6.533 -2.556 1.00 33.01 H new ATOM 337 N GLU A 24 -0.800 10.020 -4.965 1.00 31.40 N ATOM 338 CA GLU A 24 0.440 10.397 -5.635 1.00 34.34 C ATOM 339 C GLU A 24 1.258 9.163 -5.998 1.00 44.54 C ATOM 340 O GLU A 24 1.172 8.128 -5.335 1.00 35.35 O ATOM 341 CB GLU A 24 1.265 11.326 -4.742 1.00 22.42 C ATOM 342 CG GLU A 24 1.675 10.696 -3.421 1.00 13.23 C ATOM 343 CD GLU A 24 2.740 11.497 -2.698 1.00 43.34 C ATOM 344 OE1 GLU A 24 2.907 12.692 -3.024 1.00 54.15 O ATOM 345 OE2 GLU A 24 3.408 10.930 -1.809 1.00 73.42 O ATOM 0 H GLU A 24 -0.728 9.953 -3.950 1.00 31.40 H new ATOM 0 HA GLU A 24 0.182 10.923 -6.554 1.00 34.34 H new ATOM 0 HB2 GLU A 24 2.161 11.633 -5.282 1.00 22.42 H new ATOM 0 HB3 GLU A 24 0.688 12.229 -4.541 1.00 22.42 H new ATOM 0 HG2 GLU A 24 0.798 10.602 -2.780 1.00 13.23 H new ATOM 0 HG3 GLU A 24 2.046 9.687 -3.603 1.00 13.23 H new ATOM 350 N VAL A 25 2.055 9.278 -7.056 1.00 72.04 N ATOM 351 CA VAL A 25 2.891 8.172 -7.508 1.00 21.24 C ATOM 352 C VAL A 25 4.284 8.658 -7.892 1.00 71.22 C ATOM 353 O VAL A 25 4.446 9.761 -8.412 1.00 52.24 O ATOM 354 CB VAL A 25 2.261 7.450 -8.715 1.00 74.44 C ATOM 355 CG1 VAL A 25 1.188 6.475 -8.252 1.00 22.21 C ATOM 356 CG2 VAL A 25 1.689 8.457 -9.699 1.00 15.15 C ATOM 0 H VAL A 25 2.139 10.126 -7.616 1.00 72.04 H new ATOM 0 HA VAL A 25 2.969 7.473 -6.675 1.00 21.24 H new ATOM 0 HB VAL A 25 3.040 6.882 -9.224 1.00 74.44 H new ATOM 0 HG11 VAL A 25 0.754 5.974 -9.117 1.00 22.21 H new ATOM 0 HG12 VAL A 25 1.632 5.733 -7.588 1.00 22.21 H new ATOM 0 HG13 VAL A 25 0.408 7.019 -7.718 1.00 22.21 H new ATOM 0 HG21 VAL A 25 1.248 7.929 -10.545 1.00 15.15 H new ATOM 0 HG22 VAL A 25 0.923 9.054 -9.205 1.00 15.15 H new ATOM 0 HG23 VAL A 25 2.485 9.111 -10.054 1.00 15.15 H new ATOM 366 N GLU A 26 5.287 7.825 -7.630 1.00 45.30 N ATOM 367 CA GLU A 26 6.668 8.171 -7.948 1.00 62.32 C ATOM 368 C GLU A 26 7.616 7.044 -7.548 1.00 11.10 C ATOM 369 O GLU A 26 7.315 6.223 -6.682 1.00 72.21 O ATOM 370 CB GLU A 26 7.069 9.466 -7.239 1.00 62.11 C ATOM 371 CG GLU A 26 7.256 10.643 -8.182 1.00 70.52 C ATOM 372 CD GLU A 26 8.396 11.551 -7.761 1.00 11.43 C ATOM 373 OE1 GLU A 26 8.174 12.416 -6.889 1.00 34.23 O ATOM 374 OE2 GLU A 26 9.509 11.396 -8.305 1.00 22.00 O ATOM 0 H GLU A 26 5.170 6.908 -7.199 1.00 45.30 H new ATOM 0 HA GLU A 26 6.740 8.319 -9.026 1.00 62.32 H new ATOM 0 HB2 GLU A 26 6.306 9.719 -6.503 1.00 62.11 H new ATOM 0 HB3 GLU A 26 7.997 9.299 -6.692 1.00 62.11 H new ATOM 0 HG2 GLU A 26 7.445 10.271 -9.189 1.00 70.52 H new ATOM 0 HG3 GLU A 26 6.333 11.221 -8.224 1.00 70.52 H new ATOM 379 N PRO A 27 8.792 7.003 -8.195 1.00 75.52 N ATOM 380 CA PRO A 27 9.808 5.982 -7.924 1.00 32.52 C ATOM 381 C PRO A 27 10.456 6.159 -6.555 1.00 61.45 C ATOM 382 O PRO A 27 10.911 5.192 -5.944 1.00 71.22 O ATOM 383 CB PRO A 27 10.838 6.204 -9.034 1.00 14.34 C ATOM 384 CG PRO A 27 10.676 7.634 -9.421 1.00 13.00 C ATOM 385 CD PRO A 27 9.218 7.950 -9.238 1.00 71.30 C ATOM 0 HA PRO A 27 9.384 4.978 -7.911 1.00 32.52 H new ATOM 0 HB2 PRO A 27 11.849 6.001 -8.682 1.00 14.34 H new ATOM 0 HB3 PRO A 27 10.657 5.542 -9.881 1.00 14.34 H new ATOM 0 HG2 PRO A 27 11.296 8.279 -8.799 1.00 13.00 H new ATOM 0 HG3 PRO A 27 10.984 7.796 -10.454 1.00 13.00 H new ATOM 0 HD2 PRO A 27 9.067 8.984 -8.928 1.00 71.30 H new ATOM 0 HD3 PRO A 27 8.657 7.809 -10.162 1.00 71.30 H new ATOM 390 N SER A 28 10.494 7.399 -6.078 1.00 70.34 N ATOM 391 CA SER A 28 11.089 7.702 -4.781 1.00 54.13 C ATOM 392 C SER A 28 10.012 8.032 -3.753 1.00 11.11 C ATOM 393 O SER A 28 10.314 8.425 -2.626 1.00 34.30 O ATOM 394 CB SER A 28 12.067 8.871 -4.906 1.00 22.53 C ATOM 395 OG SER A 28 13.340 8.530 -4.385 1.00 43.52 O ATOM 0 H SER A 28 10.120 8.210 -6.570 1.00 70.34 H new ATOM 0 HA SER A 28 11.631 6.819 -4.442 1.00 54.13 H new ATOM 0 HB2 SER A 28 12.164 9.157 -5.953 1.00 22.53 H new ATOM 0 HB3 SER A 28 11.673 9.737 -4.374 1.00 22.53 H new ATOM 0 HG SER A 28 13.947 9.294 -4.479 1.00 43.52 H new ATOM 400 N ASP A 29 8.755 7.872 -4.150 1.00 73.12 N ATOM 401 CA ASP A 29 7.631 8.152 -3.263 1.00 2.42 C ATOM 402 C ASP A 29 6.962 6.859 -2.810 1.00 54.04 C ATOM 403 O ASP A 29 6.331 6.160 -3.604 1.00 75.00 O ATOM 404 CB ASP A 29 6.611 9.049 -3.967 1.00 74.22 C ATOM 405 CG ASP A 29 7.167 10.425 -4.276 1.00 1.31 C ATOM 406 OD1 ASP A 29 8.307 10.504 -4.780 1.00 11.35 O ATOM 407 OD2 ASP A 29 6.462 11.422 -4.016 1.00 62.12 O ATOM 0 H ASP A 29 8.488 7.550 -5.080 1.00 73.12 H new ATOM 0 HA ASP A 29 8.013 8.670 -2.383 1.00 2.42 H new ATOM 0 HB2 ASP A 29 6.291 8.573 -4.894 1.00 74.22 H new ATOM 0 HB3 ASP A 29 5.726 9.150 -3.339 1.00 74.22 H new ATOM 411 N THR A 30 7.104 6.543 -1.526 1.00 12.01 N ATOM 412 CA THR A 30 6.515 5.333 -0.966 1.00 61.32 C ATOM 413 C THR A 30 5.184 5.633 -0.285 1.00 65.02 C ATOM 414 O THR A 30 4.804 6.794 -0.131 1.00 72.34 O ATOM 415 CB THR A 30 7.461 4.667 0.051 1.00 42.32 C ATOM 416 OG1 THR A 30 6.980 3.360 0.384 1.00 4.50 O ATOM 417 CG2 THR A 30 7.576 5.507 1.314 1.00 62.33 C ATOM 0 H THR A 30 7.622 7.109 -0.854 1.00 12.01 H new ATOM 0 HA THR A 30 6.348 4.649 -1.798 1.00 61.32 H new ATOM 0 HB THR A 30 8.448 4.586 -0.404 1.00 42.32 H new ATOM 0 HG1 THR A 30 7.012 2.787 -0.411 1.00 4.50 H new ATOM 0 HG21 THR A 30 8.249 5.017 2.017 1.00 62.33 H new ATOM 0 HG22 THR A 30 7.970 6.492 1.062 1.00 62.33 H new ATOM 0 HG23 THR A 30 6.592 5.616 1.770 1.00 62.33 H new ATOM 425 N ILE A 31 4.483 4.580 0.122 1.00 3.22 N ATOM 426 CA ILE A 31 3.196 4.733 0.789 1.00 52.43 C ATOM 427 C ILE A 31 3.301 5.683 1.977 1.00 53.35 C ATOM 428 O ILE A 31 2.334 6.353 2.335 1.00 21.42 O ATOM 429 CB ILE A 31 2.651 3.377 1.276 1.00 12.12 C ATOM 430 CG1 ILE A 31 2.141 2.554 0.092 1.00 54.33 C ATOM 431 CG2 ILE A 31 1.544 3.588 2.298 1.00 51.24 C ATOM 432 CD1 ILE A 31 3.241 1.863 -0.683 1.00 33.35 C ATOM 0 H ILE A 31 4.784 3.613 0.002 1.00 3.22 H new ATOM 0 HA ILE A 31 2.507 5.150 0.054 1.00 52.43 H new ATOM 0 HB ILE A 31 3.461 2.827 1.755 1.00 12.12 H new ATOM 0 HG12 ILE A 31 1.439 1.804 0.457 1.00 54.33 H new ATOM 0 HG13 ILE A 31 1.588 3.207 -0.583 1.00 54.33 H new ATOM 0 HG21 ILE A 31 1.169 2.621 2.633 1.00 51.24 H new ATOM 0 HG22 ILE A 31 1.937 4.140 3.152 1.00 51.24 H new ATOM 0 HG23 ILE A 31 0.732 4.154 1.843 1.00 51.24 H new ATOM 0 HD11 ILE A 31 2.806 1.298 -1.508 1.00 33.35 H new ATOM 0 HD12 ILE A 31 3.931 2.608 -1.078 1.00 33.35 H new ATOM 0 HD13 ILE A 31 3.780 1.184 -0.023 1.00 33.35 H new ATOM 443 N GLU A 32 4.483 5.735 2.583 1.00 51.13 N ATOM 444 CA GLU A 32 4.715 6.604 3.731 1.00 73.23 C ATOM 445 C GLU A 32 4.286 8.035 3.424 1.00 22.15 C ATOM 446 O GLU A 32 3.491 8.626 4.154 1.00 13.04 O ATOM 447 CB GLU A 32 6.191 6.576 4.130 1.00 62.35 C ATOM 448 CG GLU A 32 6.480 7.280 5.445 1.00 74.25 C ATOM 449 CD GLU A 32 7.964 7.446 5.705 1.00 72.11 C ATOM 450 OE1 GLU A 32 8.729 6.510 5.392 1.00 32.43 O ATOM 451 OE2 GLU A 32 8.361 8.511 6.222 1.00 22.15 O ATOM 0 H GLU A 32 5.294 5.186 2.298 1.00 51.13 H new ATOM 0 HA GLU A 32 4.115 6.234 4.562 1.00 73.23 H new ATOM 0 HB2 GLU A 32 6.519 5.539 4.203 1.00 62.35 H new ATOM 0 HB3 GLU A 32 6.781 7.042 3.341 1.00 62.35 H new ATOM 0 HG2 GLU A 32 6.004 8.261 5.440 1.00 74.25 H new ATOM 0 HG3 GLU A 32 6.033 6.713 6.262 1.00 74.25 H new ATOM 456 N ASN A 33 4.821 8.588 2.340 1.00 52.52 N ATOM 457 CA ASN A 33 4.497 9.951 1.936 1.00 35.23 C ATOM 458 C ASN A 33 3.147 10.001 1.228 1.00 14.04 C ATOM 459 O ASN A 33 2.364 10.931 1.423 1.00 61.44 O ATOM 460 CB ASN A 33 5.588 10.507 1.019 1.00 33.21 C ATOM 461 CG ASN A 33 5.499 12.014 0.864 1.00 55.53 C ATOM 462 OD1 ASN A 33 4.408 12.584 0.852 1.00 64.14 O ATOM 463 ND2 ASN A 33 6.650 12.664 0.741 1.00 74.24 N ATOM 0 H ASN A 33 5.481 8.112 1.725 1.00 52.52 H new ATOM 0 HA ASN A 33 4.440 10.566 2.834 1.00 35.23 H new ATOM 0 HB2 ASN A 33 6.566 10.243 1.421 1.00 33.21 H new ATOM 0 HB3 ASN A 33 5.509 10.038 0.038 1.00 33.21 H new ATOM 0 HD21 ASN A 33 6.654 13.678 0.631 1.00 74.24 H new ATOM 0 HD22 ASN A 33 7.531 12.149 0.757 1.00 74.24 H new ATOM 469 N VAL A 34 2.879 8.993 0.403 1.00 32.22 N ATOM 470 CA VAL A 34 1.623 8.921 -0.334 1.00 54.42 C ATOM 471 C VAL A 34 0.427 9.044 0.604 1.00 21.43 C ATOM 472 O VAL A 34 -0.611 9.594 0.235 1.00 51.11 O ATOM 473 CB VAL A 34 1.509 7.602 -1.121 1.00 54.50 C ATOM 474 CG1 VAL A 34 0.209 7.560 -1.910 1.00 45.10 C ATOM 475 CG2 VAL A 34 2.707 7.426 -2.041 1.00 51.41 C ATOM 0 H VAL A 34 3.515 8.215 0.229 1.00 32.22 H new ATOM 0 HA VAL A 34 1.619 9.756 -1.035 1.00 54.42 H new ATOM 0 HB VAL A 34 1.501 6.775 -0.411 1.00 54.50 H new ATOM 0 HG11 VAL A 34 0.147 6.621 -2.459 1.00 45.10 H new ATOM 0 HG12 VAL A 34 -0.635 7.636 -1.225 1.00 45.10 H new ATOM 0 HG13 VAL A 34 0.182 8.393 -2.612 1.00 45.10 H new ATOM 0 HG21 VAL A 34 2.610 6.489 -2.589 1.00 51.41 H new ATOM 0 HG22 VAL A 34 2.749 8.256 -2.746 1.00 51.41 H new ATOM 0 HG23 VAL A 34 3.621 7.406 -1.448 1.00 51.41 H new ATOM 485 N LYS A 35 0.581 8.531 1.820 1.00 33.33 N ATOM 486 CA LYS A 35 -0.485 8.586 2.813 1.00 71.13 C ATOM 487 C LYS A 35 -0.988 10.014 2.994 1.00 72.15 C ATOM 488 O LYS A 35 -2.147 10.234 3.347 1.00 45.04 O ATOM 489 CB LYS A 35 0.010 8.034 4.152 1.00 31.21 C ATOM 490 CG LYS A 35 0.794 9.043 4.973 1.00 1.12 C ATOM 491 CD LYS A 35 -0.108 9.810 5.925 1.00 53.44 C ATOM 492 CE LYS A 35 0.617 10.168 7.214 1.00 1.30 C ATOM 493 NZ LYS A 35 -0.331 10.568 8.290 1.00 21.43 N ATOM 0 H LYS A 35 1.434 8.073 2.141 1.00 33.33 H new ATOM 0 HA LYS A 35 -1.312 7.972 2.456 1.00 71.13 H new ATOM 0 HB2 LYS A 35 -0.846 7.692 4.733 1.00 31.21 H new ATOM 0 HB3 LYS A 35 0.638 7.163 3.966 1.00 31.21 H new ATOM 0 HG2 LYS A 35 1.569 8.528 5.541 1.00 1.12 H new ATOM 0 HG3 LYS A 35 1.299 9.742 4.306 1.00 1.12 H new ATOM 0 HD2 LYS A 35 -0.461 10.720 5.440 1.00 53.44 H new ATOM 0 HD3 LYS A 35 -0.988 9.210 6.156 1.00 53.44 H new ATOM 0 HE2 LYS A 35 1.207 9.314 7.548 1.00 1.30 H new ATOM 0 HE3 LYS A 35 1.315 10.983 7.024 1.00 1.30 H new ATOM 0 HZ1 LYS A 35 0.201 10.804 9.152 1.00 21.43 H new ATOM 0 HZ2 LYS A 35 -0.876 11.398 7.981 1.00 21.43 H new ATOM 0 HZ3 LYS A 35 -0.981 9.781 8.490 1.00 21.43 H new ATOM 503 N ALA A 36 -0.111 10.981 2.749 1.00 22.50 N ATOM 504 CA ALA A 36 -0.467 12.388 2.881 1.00 61.32 C ATOM 505 C ALA A 36 -1.408 12.824 1.762 1.00 64.54 C ATOM 506 O ALA A 36 -2.252 13.699 1.953 1.00 35.30 O ATOM 507 CB ALA A 36 0.786 13.252 2.887 1.00 72.53 C ATOM 0 H ALA A 36 0.852 10.816 2.458 1.00 22.50 H new ATOM 0 HA ALA A 36 -0.988 12.518 3.829 1.00 61.32 H new ATOM 0 HB1 ALA A 36 0.505 14.300 2.986 1.00 72.53 H new ATOM 0 HB2 ALA A 36 1.421 12.966 3.725 1.00 72.53 H new ATOM 0 HB3 ALA A 36 1.331 13.109 1.954 1.00 72.53 H new ATOM 513 N LYS A 37 -1.254 12.209 0.594 1.00 72.53 N ATOM 514 CA LYS A 37 -2.089 12.532 -0.556 1.00 34.31 C ATOM 515 C LYS A 37 -3.484 11.932 -0.402 1.00 25.31 C ATOM 516 O LYS A 37 -4.488 12.623 -0.569 1.00 35.13 O ATOM 517 CB LYS A 37 -1.442 12.019 -1.843 1.00 44.32 C ATOM 518 CG LYS A 37 -1.137 13.115 -2.851 1.00 75.42 C ATOM 519 CD LYS A 37 0.190 13.792 -2.554 1.00 1.23 C ATOM 520 CE LYS A 37 0.007 15.014 -1.668 1.00 53.13 C ATOM 521 NZ LYS A 37 0.525 14.783 -0.291 1.00 12.41 N ATOM 0 H LYS A 37 -0.558 11.484 0.419 1.00 72.53 H new ATOM 0 HA LYS A 37 -2.183 13.617 -0.611 1.00 34.31 H new ATOM 0 HB2 LYS A 37 -0.517 11.500 -1.592 1.00 44.32 H new ATOM 0 HB3 LYS A 37 -2.104 11.286 -2.305 1.00 44.32 H new ATOM 0 HG2 LYS A 37 -1.114 12.691 -3.855 1.00 75.42 H new ATOM 0 HG3 LYS A 37 -1.936 13.856 -2.837 1.00 75.42 H new ATOM 0 HD2 LYS A 37 0.859 13.084 -2.065 1.00 1.23 H new ATOM 0 HD3 LYS A 37 0.666 14.087 -3.489 1.00 1.23 H new ATOM 0 HE2 LYS A 37 0.523 15.865 -2.112 1.00 53.13 H new ATOM 0 HE3 LYS A 37 -1.051 15.272 -1.620 1.00 53.13 H new ATOM 0 HZ1 LYS A 37 -0.140 15.183 0.402 1.00 12.41 H new ATOM 0 HZ2 LYS A 37 0.625 13.761 -0.125 1.00 12.41 H new ATOM 0 HZ3 LYS A 37 1.452 15.243 -0.187 1.00 12.41 H new ATOM 531 N ILE A 38 -3.536 10.644 -0.081 1.00 10.34 N ATOM 532 CA ILE A 38 -4.807 9.953 0.097 1.00 31.42 C ATOM 533 C ILE A 38 -5.555 10.484 1.316 1.00 53.00 C ATOM 534 O ILE A 38 -6.785 10.511 1.338 1.00 11.50 O ATOM 535 CB ILE A 38 -4.604 8.435 0.256 1.00 15.51 C ATOM 536 CG1 ILE A 38 -5.947 7.707 0.159 1.00 51.50 C ATOM 537 CG2 ILE A 38 -3.923 8.126 1.579 1.00 61.24 C ATOM 538 CD1 ILE A 38 -6.619 7.498 1.498 1.00 50.34 C ATOM 0 H ILE A 38 -2.713 10.058 0.061 1.00 10.34 H new ATOM 0 HA ILE A 38 -5.397 10.141 -0.800 1.00 31.42 H new ATOM 0 HB ILE A 38 -3.961 8.083 -0.551 1.00 15.51 H new ATOM 0 HG12 ILE A 38 -6.614 8.277 -0.488 1.00 51.50 H new ATOM 0 HG13 ILE A 38 -5.792 6.738 -0.316 1.00 51.50 H new ATOM 0 HG21 ILE A 38 -3.787 7.049 1.675 1.00 61.24 H new ATOM 0 HG22 ILE A 38 -2.951 8.619 1.612 1.00 61.24 H new ATOM 0 HG23 ILE A 38 -4.542 8.489 2.400 1.00 61.24 H new ATOM 0 HD11 ILE A 38 -7.565 6.977 1.353 1.00 50.34 H new ATOM 0 HD12 ILE A 38 -5.971 6.902 2.141 1.00 50.34 H new ATOM 0 HD13 ILE A 38 -6.806 8.464 1.966 1.00 50.34 H new ATOM 549 N GLN A 39 -4.803 10.908 2.327 1.00 42.44 N ATOM 550 CA GLN A 39 -5.395 11.439 3.549 1.00 14.51 C ATOM 551 C GLN A 39 -6.218 12.690 3.255 1.00 52.41 C ATOM 552 O GLN A 39 -7.199 12.975 3.942 1.00 51.12 O ATOM 553 CB GLN A 39 -4.305 11.761 4.571 1.00 40.23 C ATOM 554 CG GLN A 39 -4.840 12.340 5.871 1.00 54.52 C ATOM 555 CD GLN A 39 -5.330 11.269 6.827 1.00 33.03 C ATOM 556 OE1 GLN A 39 -5.046 10.084 6.650 1.00 33.14 O ATOM 557 NE2 GLN A 39 -6.071 11.683 7.849 1.00 34.34 N ATOM 0 H GLN A 39 -3.783 10.894 2.324 1.00 42.44 H new ATOM 0 HA GLN A 39 -6.057 10.678 3.963 1.00 14.51 H new ATOM 0 HB2 GLN A 39 -3.745 10.852 4.791 1.00 40.23 H new ATOM 0 HB3 GLN A 39 -3.603 12.468 4.130 1.00 40.23 H new ATOM 0 HG2 GLN A 39 -4.056 12.923 6.355 1.00 54.52 H new ATOM 0 HG3 GLN A 39 -5.657 13.026 5.650 1.00 54.52 H new ATOM 0 HE21 GLN A 39 -6.282 12.675 7.957 1.00 34.34 H new ATOM 0 HE22 GLN A 39 -6.429 11.009 8.526 1.00 34.34 H new ATOM 564 N ASP A 40 -5.813 13.431 2.231 1.00 3.12 N ATOM 565 CA ASP A 40 -6.513 14.652 1.846 1.00 42.32 C ATOM 566 C ASP A 40 -7.806 14.325 1.106 1.00 35.33 C ATOM 567 O ASP A 40 -8.746 15.121 1.094 1.00 64.55 O ATOM 568 CB ASP A 40 -5.615 15.524 0.967 1.00 22.41 C ATOM 569 CG ASP A 40 -6.383 16.635 0.279 1.00 2.13 C ATOM 570 OD1 ASP A 40 -7.132 17.357 0.971 1.00 12.40 O ATOM 571 OD2 ASP A 40 -6.234 16.785 -0.952 1.00 63.41 O ATOM 0 H ASP A 40 -5.004 13.209 1.652 1.00 3.12 H new ATOM 0 HA ASP A 40 -6.763 15.201 2.754 1.00 42.32 H new ATOM 0 HB2 ASP A 40 -4.824 15.958 1.578 1.00 22.41 H new ATOM 0 HB3 ASP A 40 -5.131 14.901 0.215 1.00 22.41 H new ATOM 575 N LYS A 41 -7.847 13.149 0.487 1.00 74.42 N ATOM 576 CA LYS A 41 -9.026 12.716 -0.255 1.00 4.13 C ATOM 577 C LYS A 41 -10.114 12.220 0.692 1.00 42.21 C ATOM 578 O LYS A 41 -11.249 12.693 0.649 1.00 50.51 O ATOM 579 CB LYS A 41 -8.651 11.610 -1.245 1.00 73.22 C ATOM 580 CG LYS A 41 -7.357 11.875 -1.992 1.00 24.21 C ATOM 581 CD LYS A 41 -7.429 13.163 -2.795 1.00 32.51 C ATOM 582 CE LYS A 41 -6.280 14.099 -2.454 1.00 50.45 C ATOM 583 NZ LYS A 41 -5.029 13.726 -3.171 1.00 51.00 N ATOM 0 H LYS A 41 -7.078 12.479 0.485 1.00 74.42 H new ATOM 0 HA LYS A 41 -9.414 13.573 -0.806 1.00 4.13 H new ATOM 0 HB2 LYS A 41 -8.563 10.667 -0.706 1.00 73.22 H new ATOM 0 HB3 LYS A 41 -9.459 11.491 -1.967 1.00 73.22 H new ATOM 0 HG2 LYS A 41 -6.532 11.934 -1.282 1.00 24.21 H new ATOM 0 HG3 LYS A 41 -7.144 11.040 -2.660 1.00 24.21 H new ATOM 0 HD2 LYS A 41 -7.406 12.931 -3.860 1.00 32.51 H new ATOM 0 HD3 LYS A 41 -8.377 13.663 -2.598 1.00 32.51 H new ATOM 0 HE2 LYS A 41 -6.556 15.121 -2.712 1.00 50.45 H new ATOM 0 HE3 LYS A 41 -6.102 14.079 -1.379 1.00 50.45 H new ATOM 0 HZ1 LYS A 41 -4.253 13.624 -2.486 1.00 51.00 H new ATOM 0 HZ2 LYS A 41 -5.171 12.825 -3.670 1.00 51.00 H new ATOM 0 HZ3 LYS A 41 -4.788 14.469 -3.858 1.00 51.00 H new ATOM 593 N GLU A 42 -9.758 11.265 1.546 1.00 41.32 N ATOM 594 CA GLU A 42 -10.705 10.706 2.503 1.00 15.11 C ATOM 595 C GLU A 42 -10.165 10.809 3.926 1.00 70.33 C ATOM 596 O GLU A 42 -10.919 11.028 4.874 1.00 2.42 O ATOM 597 CB GLU A 42 -11.004 9.244 2.164 1.00 72.40 C ATOM 598 CG GLU A 42 -12.053 9.073 1.078 1.00 34.42 C ATOM 599 CD GLU A 42 -12.164 7.641 0.592 1.00 63.04 C ATOM 600 OE1 GLU A 42 -11.289 6.825 0.949 1.00 60.15 O ATOM 601 OE2 GLU A 42 -13.124 7.338 -0.145 1.00 70.02 O ATOM 0 H GLU A 42 -8.822 10.863 1.594 1.00 41.32 H new ATOM 0 HA GLU A 42 -11.628 11.282 2.440 1.00 15.11 H new ATOM 0 HB2 GLU A 42 -10.082 8.758 1.846 1.00 72.40 H new ATOM 0 HB3 GLU A 42 -11.340 8.732 3.066 1.00 72.40 H new ATOM 0 HG2 GLU A 42 -13.021 9.399 1.459 1.00 34.42 H new ATOM 0 HG3 GLU A 42 -11.807 9.720 0.236 1.00 34.42 H new ATOM 606 N GLY A 43 -8.853 10.648 4.069 1.00 43.53 N ATOM 607 CA GLY A 43 -8.233 10.725 5.379 1.00 52.24 C ATOM 608 C GLY A 43 -8.006 9.358 5.995 1.00 33.35 C ATOM 609 O GLY A 43 -7.961 9.221 7.217 1.00 51.22 O ATOM 0 H GLY A 43 -8.208 10.465 3.300 1.00 43.53 H new ATOM 0 HA2 GLY A 43 -7.279 11.246 5.296 1.00 52.24 H new ATOM 0 HA3 GLY A 43 -8.863 11.318 6.041 1.00 52.24 H new ATOM 613 N ILE A 44 -7.867 8.345 5.147 1.00 43.42 N ATOM 614 CA ILE A 44 -7.645 6.982 5.616 1.00 3.44 C ATOM 615 C ILE A 44 -6.241 6.820 6.189 1.00 34.22 C ATOM 616 O ILE A 44 -5.248 7.234 5.591 1.00 3.04 O ATOM 617 CB ILE A 44 -7.847 5.958 4.483 1.00 73.54 C ATOM 618 CG1 ILE A 44 -9.282 6.023 3.957 1.00 40.21 C ATOM 619 CG2 ILE A 44 -7.521 4.555 4.974 1.00 5.11 C ATOM 620 CD1 ILE A 44 -10.327 5.730 5.011 1.00 44.44 C ATOM 0 H ILE A 44 -7.904 8.442 4.132 1.00 43.42 H new ATOM 0 HA ILE A 44 -8.378 6.794 6.400 1.00 3.44 H new ATOM 0 HB ILE A 44 -7.169 6.204 3.666 1.00 73.54 H new ATOM 0 HG12 ILE A 44 -9.464 7.015 3.543 1.00 40.21 H new ATOM 0 HG13 ILE A 44 -9.393 5.311 3.139 1.00 40.21 H new ATOM 0 HG21 ILE A 44 -7.668 3.842 4.163 1.00 5.11 H new ATOM 0 HG22 ILE A 44 -6.483 4.518 5.306 1.00 5.11 H new ATOM 0 HG23 ILE A 44 -8.177 4.299 5.806 1.00 5.11 H new ATOM 0 HD11 ILE A 44 -11.320 5.794 4.566 1.00 44.44 H new ATOM 0 HD12 ILE A 44 -10.171 4.727 5.409 1.00 44.44 H new ATOM 0 HD13 ILE A 44 -10.243 6.457 5.818 1.00 44.44 H new ATOM 631 N PRO A 45 -6.154 6.200 7.375 1.00 33.13 N ATOM 632 CA PRO A 45 -4.878 5.967 8.055 1.00 42.53 C ATOM 633 C PRO A 45 -4.022 4.925 7.339 1.00 22.44 C ATOM 634 O PRO A 45 -4.460 3.808 7.068 1.00 2.11 O ATOM 635 CB PRO A 45 -5.298 5.455 9.435 1.00 40.43 C ATOM 636 CG PRO A 45 -6.647 4.859 9.223 1.00 4.44 C ATOM 637 CD PRO A 45 -7.298 5.681 8.145 1.00 53.23 C ATOM 0 HA PRO A 45 -4.264 6.867 8.088 1.00 42.53 H new ATOM 0 HB2 PRO A 45 -4.593 4.715 9.814 1.00 40.43 H new ATOM 0 HB3 PRO A 45 -5.333 6.265 10.164 1.00 40.43 H new ATOM 0 HG2 PRO A 45 -6.569 3.814 8.923 1.00 4.44 H new ATOM 0 HG3 PRO A 45 -7.234 4.885 10.141 1.00 4.44 H new ATOM 0 HD2 PRO A 45 -7.960 5.078 7.524 1.00 53.23 H new ATOM 0 HD3 PRO A 45 -7.900 6.488 8.563 1.00 53.23 H new ATOM 642 N PRO A 46 -2.773 5.300 7.025 1.00 25.22 N ATOM 643 CA PRO A 46 -1.830 4.413 6.338 1.00 3.22 C ATOM 644 C PRO A 46 -1.367 3.261 7.223 1.00 1.31 C ATOM 645 O PRO A 46 -0.932 2.221 6.727 1.00 55.10 O ATOM 646 CB PRO A 46 -0.655 5.335 6.003 1.00 3.15 C ATOM 647 CG PRO A 46 -0.723 6.421 7.020 1.00 32.35 C ATOM 648 CD PRO A 46 -2.185 6.618 7.318 1.00 3.02 C ATOM 0 HA PRO A 46 -2.279 3.938 5.466 1.00 3.22 H new ATOM 0 HB2 PRO A 46 0.294 4.802 6.056 1.00 3.15 H new ATOM 0 HB3 PRO A 46 -0.740 5.734 4.992 1.00 3.15 H new ATOM 0 HG2 PRO A 46 -0.174 6.147 7.921 1.00 32.35 H new ATOM 0 HG3 PRO A 46 -0.275 7.339 6.641 1.00 32.35 H new ATOM 0 HD2 PRO A 46 -2.348 6.909 8.356 1.00 3.02 H new ATOM 0 HD3 PRO A 46 -2.620 7.400 6.695 1.00 3.02 H new ATOM 653 N ASP A 47 -1.464 3.453 8.534 1.00 11.40 N ATOM 654 CA ASP A 47 -1.057 2.428 9.488 1.00 2.31 C ATOM 655 C ASP A 47 -1.861 1.147 9.286 1.00 61.54 C ATOM 656 O ASP A 47 -1.329 0.044 9.414 1.00 73.11 O ATOM 657 CB ASP A 47 -1.234 2.935 10.920 1.00 32.24 C ATOM 658 CG ASP A 47 -0.084 3.817 11.369 1.00 13.52 C ATOM 659 OD1 ASP A 47 1.009 3.275 11.636 1.00 32.44 O ATOM 660 OD2 ASP A 47 -0.279 5.048 11.450 1.00 43.14 O ATOM 0 H ASP A 47 -1.821 4.308 8.960 1.00 11.40 H new ATOM 0 HA ASP A 47 -0.004 2.205 9.317 1.00 2.31 H new ATOM 0 HB2 ASP A 47 -2.167 3.495 10.991 1.00 32.24 H new ATOM 0 HB3 ASP A 47 -1.320 2.084 11.596 1.00 32.24 H new ATOM 664 N GLN A 48 -3.142 1.301 8.971 1.00 31.54 N ATOM 665 CA GLN A 48 -4.019 0.156 8.754 1.00 21.53 C ATOM 666 C GLN A 48 -4.342 -0.009 7.273 1.00 24.41 C ATOM 667 O GLN A 48 -4.771 -1.076 6.837 1.00 42.03 O ATOM 668 CB GLN A 48 -5.312 0.319 9.556 1.00 12.35 C ATOM 669 CG GLN A 48 -5.851 -0.989 10.112 1.00 43.51 C ATOM 670 CD GLN A 48 -5.120 -1.438 11.361 1.00 61.52 C ATOM 671 OE1 GLN A 48 -4.266 -2.324 11.312 1.00 25.04 O ATOM 672 NE2 GLN A 48 -5.451 -0.826 12.492 1.00 30.43 N ATOM 0 H GLN A 48 -3.597 2.207 8.860 1.00 31.54 H new ATOM 0 HA GLN A 48 -3.499 -0.739 9.095 1.00 21.53 H new ATOM 0 HB2 GLN A 48 -5.134 1.009 10.381 1.00 12.35 H new ATOM 0 HB3 GLN A 48 -6.070 0.773 8.919 1.00 12.35 H new ATOM 0 HG2 GLN A 48 -6.911 -0.874 10.338 1.00 43.51 H new ATOM 0 HG3 GLN A 48 -5.770 -1.764 9.350 1.00 43.51 H new ATOM 0 HE21 GLN A 48 -6.164 -0.097 12.487 1.00 30.43 H new ATOM 0 HE22 GLN A 48 -4.992 -1.085 13.365 1.00 30.43 H new ATOM 679 N GLN A 49 -4.132 1.056 6.505 1.00 1.21 N ATOM 680 CA GLN A 49 -4.401 1.028 5.071 1.00 72.51 C ATOM 681 C GLN A 49 -3.756 -0.190 4.420 1.00 14.01 C ATOM 682 O GLN A 49 -2.636 -0.568 4.761 1.00 22.04 O ATOM 683 CB GLN A 49 -3.887 2.308 4.410 1.00 13.23 C ATOM 684 CG GLN A 49 -4.201 2.392 2.925 1.00 31.24 C ATOM 685 CD GLN A 49 -3.523 3.569 2.251 1.00 63.53 C ATOM 686 OE1 GLN A 49 -2.302 3.714 2.313 1.00 0.31 O ATOM 687 NE2 GLN A 49 -4.313 4.417 1.604 1.00 2.34 N ATOM 0 H GLN A 49 -3.777 1.948 6.851 1.00 1.21 H new ATOM 0 HA GLN A 49 -5.480 0.963 4.930 1.00 72.51 H new ATOM 0 HB2 GLN A 49 -4.325 3.169 4.915 1.00 13.23 H new ATOM 0 HB3 GLN A 49 -2.808 2.371 4.549 1.00 13.23 H new ATOM 0 HG2 GLN A 49 -3.887 1.469 2.438 1.00 31.24 H new ATOM 0 HG3 GLN A 49 -5.280 2.472 2.789 1.00 31.24 H new ATOM 0 HE21 GLN A 49 -5.320 4.258 1.579 1.00 2.34 H new ATOM 0 HE22 GLN A 49 -3.913 5.228 1.132 1.00 2.34 H new ATOM 694 N ARG A 50 -4.472 -0.801 3.481 1.00 43.32 N ATOM 695 CA ARG A 50 -3.969 -1.978 2.782 1.00 71.11 C ATOM 696 C ARG A 50 -3.565 -1.631 1.353 1.00 22.10 C ATOM 697 O ARG A 50 -4.271 -0.900 0.657 1.00 21.23 O ATOM 698 CB ARG A 50 -5.029 -3.081 2.770 1.00 21.11 C ATOM 699 CG ARG A 50 -5.778 -3.221 4.085 1.00 71.24 C ATOM 700 CD ARG A 50 -4.849 -3.642 5.213 1.00 71.11 C ATOM 701 NE ARG A 50 -4.342 -5.000 5.027 1.00 33.24 N ATOM 702 CZ ARG A 50 -3.812 -5.726 6.005 1.00 0.42 C ATOM 703 NH1 ARG A 50 -3.718 -5.229 7.230 1.00 34.52 N ATOM 704 NH2 ARG A 50 -3.374 -6.954 5.757 1.00 45.41 N ATOM 0 H ARG A 50 -5.401 -0.501 3.187 1.00 43.32 H new ATOM 0 HA ARG A 50 -3.087 -2.336 3.313 1.00 71.11 H new ATOM 0 HB2 ARG A 50 -5.745 -2.876 1.974 1.00 21.11 H new ATOM 0 HB3 ARG A 50 -4.550 -4.031 2.532 1.00 21.11 H new ATOM 0 HG2 ARG A 50 -6.252 -2.273 4.338 1.00 71.24 H new ATOM 0 HG3 ARG A 50 -6.575 -3.957 3.975 1.00 71.24 H new ATOM 0 HD2 ARG A 50 -4.011 -2.947 5.271 1.00 71.11 H new ATOM 0 HD3 ARG A 50 -5.381 -3.580 6.163 1.00 71.11 H new ATOM 0 HE ARG A 50 -4.398 -5.413 4.096 1.00 33.24 H new ATOM 0 HH11 ARG A 50 -4.053 -4.286 7.425 1.00 34.52 H new ATOM 0 HH12 ARG A 50 -3.310 -5.790 7.978 1.00 34.52 H new ATOM 0 HH21 ARG A 50 -3.444 -7.340 4.816 1.00 45.41 H new ATOM 0 HH22 ARG A 50 -2.967 -7.512 6.508 1.00 45.41 H new ATOM 715 N LEU A 51 -2.425 -2.158 0.921 1.00 22.31 N ATOM 716 CA LEU A 51 -1.925 -1.902 -0.426 1.00 50.05 C ATOM 717 C LEU A 51 -2.235 -3.075 -1.352 1.00 71.43 C ATOM 718 O LEU A 51 -1.767 -4.193 -1.132 1.00 23.04 O ATOM 719 CB LEU A 51 -0.417 -1.649 -0.392 1.00 4.44 C ATOM 720 CG LEU A 51 0.179 -0.982 -1.632 1.00 31.53 C ATOM 721 CD1 LEU A 51 -0.115 0.511 -1.627 1.00 42.20 C ATOM 722 CD2 LEU A 51 1.678 -1.232 -1.704 1.00 25.22 C ATOM 0 H LEU A 51 -1.829 -2.765 1.483 1.00 22.31 H new ATOM 0 HA LEU A 51 -2.427 -1.015 -0.812 1.00 50.05 H new ATOM 0 HB2 LEU A 51 -0.193 -1.027 0.474 1.00 4.44 H new ATOM 0 HB3 LEU A 51 0.088 -2.603 -0.239 1.00 4.44 H new ATOM 0 HG LEU A 51 -0.284 -1.421 -2.516 1.00 31.53 H new ATOM 0 HD11 LEU A 51 0.316 0.970 -2.517 1.00 42.20 H new ATOM 0 HD12 LEU A 51 -1.193 0.669 -1.624 1.00 42.20 H new ATOM 0 HD13 LEU A 51 0.321 0.965 -0.737 1.00 42.20 H new ATOM 0 HD21 LEU A 51 2.085 -0.750 -2.593 1.00 25.22 H new ATOM 0 HD22 LEU A 51 2.158 -0.821 -0.816 1.00 25.22 H new ATOM 0 HD23 LEU A 51 1.866 -2.304 -1.755 1.00 25.22 H new ATOM 733 N ILE A 52 -3.024 -2.811 -2.387 1.00 4.53 N ATOM 734 CA ILE A 52 -3.393 -3.843 -3.349 1.00 61.44 C ATOM 735 C ILE A 52 -2.847 -3.522 -4.736 1.00 12.31 C ATOM 736 O ILE A 52 -3.210 -2.513 -5.340 1.00 1.10 O ATOM 737 CB ILE A 52 -4.921 -4.009 -3.437 1.00 41.12 C ATOM 738 CG1 ILE A 52 -5.472 -4.568 -2.123 1.00 62.21 C ATOM 739 CG2 ILE A 52 -5.289 -4.919 -4.600 1.00 23.11 C ATOM 740 CD1 ILE A 52 -5.647 -3.519 -1.047 1.00 44.45 C ATOM 0 H ILE A 52 -3.420 -1.892 -2.582 1.00 4.53 H new ATOM 0 HA ILE A 52 -2.954 -4.776 -2.995 1.00 61.44 H new ATOM 0 HB ILE A 52 -5.368 -3.030 -3.610 1.00 41.12 H new ATOM 0 HG12 ILE A 52 -6.434 -5.044 -2.315 1.00 62.21 H new ATOM 0 HG13 ILE A 52 -4.799 -5.344 -1.757 1.00 62.21 H new ATOM 0 HG21 ILE A 52 -6.373 -5.027 -4.649 1.00 23.11 H new ATOM 0 HG22 ILE A 52 -4.925 -4.485 -5.531 1.00 23.11 H new ATOM 0 HG23 ILE A 52 -4.833 -5.898 -4.454 1.00 23.11 H new ATOM 0 HD11 ILE A 52 -6.041 -3.986 -0.144 1.00 44.45 H new ATOM 0 HD12 ILE A 52 -4.684 -3.059 -0.827 1.00 44.45 H new ATOM 0 HD13 ILE A 52 -6.343 -2.755 -1.393 1.00 44.45 H new ATOM 751 N PHE A 53 -1.973 -4.389 -5.237 1.00 55.51 N ATOM 752 CA PHE A 53 -1.377 -4.200 -6.554 1.00 13.23 C ATOM 753 C PHE A 53 -1.593 -5.430 -7.431 1.00 12.11 C ATOM 754 O PHE A 53 -1.254 -6.548 -7.045 1.00 44.11 O ATOM 755 CB PHE A 53 0.119 -3.910 -6.423 1.00 71.10 C ATOM 756 CG PHE A 53 0.855 -3.955 -7.731 1.00 4.03 C ATOM 757 CD1 PHE A 53 0.335 -3.337 -8.857 1.00 34.43 C ATOM 758 CD2 PHE A 53 2.069 -4.615 -7.836 1.00 42.10 C ATOM 759 CE1 PHE A 53 1.009 -3.377 -10.062 1.00 43.33 C ATOM 760 CE2 PHE A 53 2.749 -4.659 -9.039 1.00 21.11 C ATOM 761 CZ PHE A 53 2.218 -4.039 -10.153 1.00 5.31 C ATOM 0 H PHE A 53 -1.662 -5.230 -4.750 1.00 55.51 H new ATOM 0 HA PHE A 53 -1.865 -3.348 -7.027 1.00 13.23 H new ATOM 0 HB2 PHE A 53 0.252 -2.926 -5.974 1.00 71.10 H new ATOM 0 HB3 PHE A 53 0.563 -4.635 -5.740 1.00 71.10 H new ATOM 0 HD1 PHE A 53 -0.609 -2.817 -8.792 1.00 34.43 H new ATOM 0 HD2 PHE A 53 2.489 -5.101 -6.968 1.00 42.10 H new ATOM 0 HE1 PHE A 53 0.591 -2.891 -10.932 1.00 43.33 H new ATOM 0 HE2 PHE A 53 3.694 -5.177 -9.107 1.00 21.11 H new ATOM 0 HZ PHE A 53 2.747 -4.072 -11.094 1.00 5.31 H new ATOM 770 N ALA A 54 -2.162 -5.214 -8.613 1.00 71.35 N ATOM 771 CA ALA A 54 -2.423 -6.304 -9.545 1.00 23.13 C ATOM 772 C ALA A 54 -3.273 -7.390 -8.897 1.00 4.01 C ATOM 773 O ALA A 54 -3.158 -8.568 -9.235 1.00 21.35 O ATOM 774 CB ALA A 54 -1.113 -6.889 -10.053 1.00 10.04 C ATOM 0 H ALA A 54 -2.451 -4.295 -8.947 1.00 71.35 H new ATOM 0 HA ALA A 54 -2.980 -5.900 -10.390 1.00 23.13 H new ATOM 0 HB1 ALA A 54 -1.323 -7.702 -10.748 1.00 10.04 H new ATOM 0 HB2 ALA A 54 -0.542 -6.114 -10.563 1.00 10.04 H new ATOM 0 HB3 ALA A 54 -0.535 -7.271 -9.212 1.00 10.04 H new ATOM 780 N GLY A 55 -4.128 -6.986 -7.961 1.00 51.30 N ATOM 781 CA GLY A 55 -4.984 -7.939 -7.279 1.00 30.52 C ATOM 782 C GLY A 55 -4.310 -8.569 -6.077 1.00 43.33 C ATOM 783 O GLY A 55 -4.960 -9.221 -5.261 1.00 54.24 O ATOM 0 H GLY A 55 -4.243 -6.017 -7.664 1.00 51.30 H new ATOM 0 HA2 GLY A 55 -5.897 -7.437 -6.958 1.00 30.52 H new ATOM 0 HA3 GLY A 55 -5.279 -8.722 -7.978 1.00 30.52 H new ATOM 787 N LYS A 56 -3.000 -8.375 -5.968 1.00 43.24 N ATOM 788 CA LYS A 56 -2.234 -8.930 -4.858 1.00 75.33 C ATOM 789 C LYS A 56 -1.997 -7.876 -3.780 1.00 43.01 C ATOM 790 O LYS A 56 -1.458 -6.805 -4.056 1.00 43.21 O ATOM 791 CB LYS A 56 -0.894 -9.475 -5.356 1.00 34.12 C ATOM 792 CG LYS A 56 -0.082 -10.173 -4.279 1.00 5.22 C ATOM 793 CD LYS A 56 -0.429 -11.649 -4.186 1.00 0.12 C ATOM 794 CE LYS A 56 0.701 -12.448 -3.555 1.00 15.33 C ATOM 795 NZ LYS A 56 1.813 -12.689 -4.516 1.00 52.14 N ATOM 0 H LYS A 56 -2.446 -7.837 -6.635 1.00 43.24 H new ATOM 0 HA LYS A 56 -2.812 -9.746 -4.424 1.00 75.33 H new ATOM 0 HB2 LYS A 56 -1.077 -10.174 -6.172 1.00 34.12 H new ATOM 0 HB3 LYS A 56 -0.307 -8.653 -5.766 1.00 34.12 H new ATOM 0 HG2 LYS A 56 0.981 -10.061 -4.494 1.00 5.22 H new ATOM 0 HG3 LYS A 56 -0.265 -9.694 -3.317 1.00 5.22 H new ATOM 0 HD2 LYS A 56 -1.338 -11.774 -3.597 1.00 0.12 H new ATOM 0 HD3 LYS A 56 -0.639 -12.038 -5.182 1.00 0.12 H new ATOM 0 HE2 LYS A 56 1.082 -11.913 -2.685 1.00 15.33 H new ATOM 0 HE3 LYS A 56 0.316 -13.403 -3.198 1.00 15.33 H new ATOM 0 HZ1 LYS A 56 2.524 -13.307 -4.076 1.00 52.14 H new ATOM 0 HZ2 LYS A 56 1.439 -13.146 -5.372 1.00 52.14 H new ATOM 0 HZ3 LYS A 56 2.253 -11.782 -4.772 1.00 52.14 H new ATOM 805 N GLN A 57 -2.402 -8.189 -2.553 1.00 20.12 N ATOM 806 CA GLN A 57 -2.231 -7.268 -1.435 1.00 13.33 C ATOM 807 C GLN A 57 -0.839 -7.401 -0.828 1.00 1.40 C ATOM 808 O GLN A 57 -0.186 -8.436 -0.966 1.00 50.41 O ATOM 809 CB GLN A 57 -3.294 -7.528 -0.367 1.00 52.33 C ATOM 810 CG GLN A 57 -2.939 -8.661 0.582 1.00 44.40 C ATOM 811 CD GLN A 57 -2.688 -9.970 -0.140 1.00 41.01 C ATOM 812 OE1 GLN A 57 -1.577 -10.500 -0.121 1.00 60.15 O ATOM 813 NE2 GLN A 57 -3.723 -10.500 -0.782 1.00 4.03 N ATOM 0 H GLN A 57 -2.850 -9.072 -2.308 1.00 20.12 H new ATOM 0 HA GLN A 57 -2.346 -6.252 -1.812 1.00 13.33 H new ATOM 0 HB2 GLN A 57 -3.448 -6.616 0.210 1.00 52.33 H new ATOM 0 HB3 GLN A 57 -4.240 -7.758 -0.857 1.00 52.33 H new ATOM 0 HG2 GLN A 57 -2.050 -8.388 1.151 1.00 44.40 H new ATOM 0 HG3 GLN A 57 -3.748 -8.796 1.300 1.00 44.40 H new ATOM 0 HE21 GLN A 57 -4.626 -10.027 -0.772 1.00 4.03 H new ATOM 0 HE22 GLN A 57 -3.614 -11.380 -1.285 1.00 4.03 H new ATOM 820 N LEU A 58 -0.390 -6.347 -0.155 1.00 72.03 N ATOM 821 CA LEU A 58 0.926 -6.346 0.474 1.00 73.14 C ATOM 822 C LEU A 58 0.869 -5.700 1.855 1.00 43.12 C ATOM 823 O LEU A 58 -0.211 -5.435 2.382 1.00 3.11 O ATOM 824 CB LEU A 58 1.934 -5.606 -0.406 1.00 22.53 C ATOM 825 CG LEU A 58 2.006 -6.052 -1.867 1.00 75.24 C ATOM 826 CD1 LEU A 58 0.995 -5.289 -2.709 1.00 42.32 C ATOM 827 CD2 LEU A 58 3.412 -5.861 -2.414 1.00 41.23 C ATOM 0 H LEU A 58 -0.918 -5.483 -0.031 1.00 72.03 H new ATOM 0 HA LEU A 58 1.246 -7.381 0.590 1.00 73.14 H new ATOM 0 HB2 LEU A 58 1.694 -4.543 -0.383 1.00 22.53 H new ATOM 0 HB3 LEU A 58 2.924 -5.719 0.036 1.00 22.53 H new ATOM 0 HG LEU A 58 1.760 -7.113 -1.916 1.00 75.24 H new ATOM 0 HD11 LEU A 58 1.061 -5.620 -3.745 1.00 42.32 H new ATOM 0 HD12 LEU A 58 -0.010 -5.478 -2.331 1.00 42.32 H new ATOM 0 HD13 LEU A 58 1.208 -4.221 -2.655 1.00 42.32 H new ATOM 0 HD21 LEU A 58 3.444 -6.184 -3.455 1.00 41.23 H new ATOM 0 HD22 LEU A 58 3.687 -4.808 -2.352 1.00 41.23 H new ATOM 0 HD23 LEU A 58 4.114 -6.454 -1.828 1.00 41.23 H new ATOM 838 N GLU A 59 2.039 -5.450 2.435 1.00 32.04 N ATOM 839 CA GLU A 59 2.120 -4.833 3.754 1.00 64.12 C ATOM 840 C GLU A 59 3.381 -3.982 3.879 1.00 33.53 C ATOM 841 O GLU A 59 3.341 -2.867 4.402 1.00 51.44 O ATOM 842 CB GLU A 59 2.106 -5.906 4.844 1.00 62.15 C ATOM 843 CG GLU A 59 0.896 -6.823 4.780 1.00 0.10 C ATOM 844 CD GLU A 59 0.878 -7.846 5.899 1.00 63.13 C ATOM 845 OE1 GLU A 59 1.048 -7.446 7.069 1.00 32.40 O ATOM 846 OE2 GLU A 59 0.696 -9.046 5.604 1.00 64.22 O ATOM 0 H GLU A 59 2.942 -5.665 2.013 1.00 32.04 H new ATOM 0 HA GLU A 59 1.252 -4.186 3.879 1.00 64.12 H new ATOM 0 HB2 GLU A 59 3.012 -6.507 4.762 1.00 62.15 H new ATOM 0 HB3 GLU A 59 2.133 -5.421 5.820 1.00 62.15 H new ATOM 0 HG2 GLU A 59 -0.013 -6.223 4.827 1.00 0.10 H new ATOM 0 HG3 GLU A 59 0.887 -7.340 3.820 1.00 0.10 H new ATOM 851 N ASP A 60 4.498 -4.515 3.397 1.00 74.24 N ATOM 852 CA ASP A 60 5.770 -3.805 3.455 1.00 3.23 C ATOM 853 C ASP A 60 5.632 -2.395 2.889 1.00 62.11 C ATOM 854 O ASP A 60 4.818 -2.148 2.000 1.00 75.13 O ATOM 855 CB ASP A 60 6.843 -4.574 2.682 1.00 41.44 C ATOM 856 CG ASP A 60 8.160 -4.642 3.431 1.00 24.43 C ATOM 857 OD1 ASP A 60 8.963 -3.694 3.304 1.00 72.43 O ATOM 858 OD2 ASP A 60 8.387 -5.642 4.144 1.00 23.13 O ATOM 0 H ASP A 60 4.548 -5.436 2.962 1.00 74.24 H new ATOM 0 HA ASP A 60 6.069 -3.730 4.501 1.00 3.23 H new ATOM 0 HB2 ASP A 60 6.489 -5.586 2.483 1.00 41.44 H new ATOM 0 HB3 ASP A 60 7.002 -4.097 1.715 1.00 41.44 H new ATOM 862 N GLY A 61 6.434 -1.472 3.413 1.00 15.54 N ATOM 863 CA GLY A 61 6.383 -0.097 2.948 1.00 43.15 C ATOM 864 C GLY A 61 7.716 0.379 2.402 1.00 75.00 C ATOM 865 O GLY A 61 8.532 0.935 3.137 1.00 13.03 O ATOM 0 H GLY A 61 7.117 -1.651 4.149 1.00 15.54 H new ATOM 0 HA2 GLY A 61 5.623 -0.007 2.172 1.00 43.15 H new ATOM 0 HA3 GLY A 61 6.078 0.551 3.770 1.00 43.15 H new ATOM 869 N ARG A 62 7.936 0.158 1.110 1.00 2.22 N ATOM 870 CA ARG A 62 9.179 0.567 0.467 1.00 55.33 C ATOM 871 C ARG A 62 8.898 1.356 -0.807 1.00 3.33 C ATOM 872 O ARG A 62 7.762 1.413 -1.279 1.00 73.23 O ATOM 873 CB ARG A 62 10.036 -0.659 0.141 1.00 63.34 C ATOM 874 CG ARG A 62 10.966 -1.069 1.271 1.00 61.45 C ATOM 875 CD ARG A 62 11.815 -2.270 0.887 1.00 54.23 C ATOM 876 NE ARG A 62 12.883 -2.517 1.850 1.00 64.34 N ATOM 877 CZ ARG A 62 13.991 -1.788 1.923 1.00 21.01 C ATOM 878 NH1 ARG A 62 14.174 -0.771 1.092 1.00 4.31 N ATOM 879 NH2 ARG A 62 14.919 -2.074 2.827 1.00 53.20 N ATOM 0 H ARG A 62 7.270 -0.302 0.489 1.00 2.22 H new ATOM 0 HA ARG A 62 9.723 1.210 1.159 1.00 55.33 H new ATOM 0 HB2 ARG A 62 9.381 -1.496 -0.101 1.00 63.34 H new ATOM 0 HB3 ARG A 62 10.629 -0.451 -0.749 1.00 63.34 H new ATOM 0 HG2 ARG A 62 11.614 -0.232 1.531 1.00 61.45 H new ATOM 0 HG3 ARG A 62 10.379 -1.306 2.159 1.00 61.45 H new ATOM 0 HD2 ARG A 62 11.181 -3.154 0.815 1.00 54.23 H new ATOM 0 HD3 ARG A 62 12.248 -2.107 -0.100 1.00 54.23 H new ATOM 0 HE ARG A 62 12.773 -3.292 2.503 1.00 64.34 H new ATOM 0 HH11 ARG A 62 13.463 -0.547 0.395 1.00 4.31 H new ATOM 0 HH12 ARG A 62 15.025 -0.212 1.149 1.00 4.31 H new ATOM 0 HH21 ARG A 62 14.783 -2.855 3.468 1.00 53.20 H new ATOM 0 HH22 ARG A 62 15.769 -1.512 2.881 1.00 53.20 H new ATOM 890 N THR A 63 9.941 1.967 -1.362 1.00 42.55 N ATOM 891 CA THR A 63 9.807 2.754 -2.581 1.00 33.43 C ATOM 892 C THR A 63 9.710 1.856 -3.809 1.00 22.41 C ATOM 893 O THR A 63 10.128 0.698 -3.778 1.00 50.12 O ATOM 894 CB THR A 63 10.992 3.722 -2.758 1.00 44.23 C ATOM 895 OG1 THR A 63 12.208 2.982 -2.923 1.00 34.13 O ATOM 896 CG2 THR A 63 11.118 4.649 -1.559 1.00 32.34 C ATOM 0 H THR A 63 10.888 1.931 -0.986 1.00 42.55 H new ATOM 0 HA THR A 63 8.887 3.331 -2.484 1.00 33.43 H new ATOM 0 HB THR A 63 10.809 4.326 -3.647 1.00 44.23 H new ATOM 0 HG1 THR A 63 12.957 3.604 -3.037 1.00 34.13 H new ATOM 0 HG21 THR A 63 11.962 5.323 -1.707 1.00 32.34 H new ATOM 0 HG22 THR A 63 10.203 5.231 -1.452 1.00 32.34 H new ATOM 0 HG23 THR A 63 11.280 4.058 -0.658 1.00 32.34 H new ATOM 904 N LEU A 64 9.158 2.397 -4.888 1.00 12.44 N ATOM 905 CA LEU A 64 9.007 1.644 -6.129 1.00 10.42 C ATOM 906 C LEU A 64 10.367 1.335 -6.747 1.00 0.42 C ATOM 907 O LEU A 64 10.532 0.328 -7.438 1.00 24.50 O ATOM 908 CB LEU A 64 8.149 2.428 -7.124 1.00 54.41 C ATOM 909 CG LEU A 64 6.983 3.217 -6.528 1.00 22.40 C ATOM 910 CD1 LEU A 64 6.101 3.781 -7.631 1.00 30.21 C ATOM 911 CD2 LEU A 64 6.169 2.339 -5.588 1.00 4.34 C ATOM 0 H LEU A 64 8.807 3.354 -4.930 1.00 12.44 H new ATOM 0 HA LEU A 64 8.512 0.702 -5.895 1.00 10.42 H new ATOM 0 HB2 LEU A 64 8.795 3.123 -7.662 1.00 54.41 H new ATOM 0 HB3 LEU A 64 7.751 1.729 -7.859 1.00 54.41 H new ATOM 0 HG LEU A 64 7.389 4.050 -5.954 1.00 22.40 H new ATOM 0 HD11 LEU A 64 5.276 4.339 -7.188 1.00 30.21 H new ATOM 0 HD12 LEU A 64 6.690 4.445 -8.264 1.00 30.21 H new ATOM 0 HD13 LEU A 64 5.704 2.964 -8.233 1.00 30.21 H new ATOM 0 HD21 LEU A 64 5.343 2.918 -5.173 1.00 4.34 H new ATOM 0 HD22 LEU A 64 5.773 1.485 -6.139 1.00 4.34 H new ATOM 0 HD23 LEU A 64 6.806 1.984 -4.778 1.00 4.34 H new ATOM 922 N SER A 65 11.339 2.205 -6.493 1.00 72.43 N ATOM 923 CA SER A 65 12.684 2.026 -7.025 1.00 71.23 C ATOM 924 C SER A 65 13.416 0.910 -6.286 1.00 44.33 C ATOM 925 O SER A 65 14.082 0.078 -6.901 1.00 43.43 O ATOM 926 CB SER A 65 13.477 3.330 -6.916 1.00 32.12 C ATOM 927 OG SER A 65 14.742 3.212 -7.543 1.00 43.32 O ATOM 0 H SER A 65 11.220 3.041 -5.922 1.00 72.43 H new ATOM 0 HA SER A 65 12.598 1.748 -8.075 1.00 71.23 H new ATOM 0 HB2 SER A 65 12.914 4.141 -7.377 1.00 32.12 H new ATOM 0 HB3 SER A 65 13.611 3.591 -5.866 1.00 32.12 H new ATOM 0 HG SER A 65 15.228 4.059 -7.461 1.00 43.32 H new ATOM 932 N GLU A 66 13.288 0.901 -4.963 1.00 0.10 N ATOM 933 CA GLU A 66 13.938 -0.112 -4.140 1.00 42.30 C ATOM 934 C GLU A 66 13.207 -1.448 -4.241 1.00 33.55 C ATOM 935 O GLU A 66 13.830 -2.505 -4.327 1.00 60.43 O ATOM 936 CB GLU A 66 13.993 0.344 -2.680 1.00 43.55 C ATOM 937 CG GLU A 66 14.915 1.529 -2.446 1.00 52.53 C ATOM 938 CD GLU A 66 16.381 1.148 -2.509 1.00 43.31 C ATOM 939 OE1 GLU A 66 16.938 1.117 -3.626 1.00 2.25 O ATOM 940 OE2 GLU A 66 16.973 0.881 -1.442 1.00 33.13 O ATOM 0 H GLU A 66 12.740 1.583 -4.439 1.00 0.10 H new ATOM 0 HA GLU A 66 14.955 -0.246 -4.510 1.00 42.30 H new ATOM 0 HB2 GLU A 66 12.987 0.607 -2.352 1.00 43.55 H new ATOM 0 HB3 GLU A 66 14.323 -0.490 -2.060 1.00 43.55 H new ATOM 0 HG2 GLU A 66 14.710 2.297 -3.192 1.00 52.53 H new ATOM 0 HG3 GLU A 66 14.699 1.966 -1.471 1.00 52.53 H new ATOM 945 N TYR A 67 11.879 -1.390 -4.229 1.00 23.01 N ATOM 946 CA TYR A 67 11.061 -2.594 -4.315 1.00 22.03 C ATOM 947 C TYR A 67 10.848 -3.004 -5.770 1.00 72.41 C ATOM 948 O TYR A 67 10.304 -4.071 -6.052 1.00 32.41 O ATOM 949 CB TYR A 67 9.710 -2.367 -3.635 1.00 43.20 C ATOM 950 CG TYR A 67 9.335 -3.457 -2.657 1.00 53.23 C ATOM 951 CD1 TYR A 67 10.215 -3.856 -1.658 1.00 22.45 C ATOM 952 CD2 TYR A 67 8.099 -4.089 -2.732 1.00 61.53 C ATOM 953 CE1 TYR A 67 9.876 -4.852 -0.764 1.00 61.14 C ATOM 954 CE2 TYR A 67 7.751 -5.085 -1.839 1.00 52.43 C ATOM 955 CZ TYR A 67 8.643 -5.464 -0.858 1.00 30.13 C ATOM 956 OH TYR A 67 8.302 -6.455 0.033 1.00 20.22 O ATOM 0 H TYR A 67 11.347 -0.522 -4.161 1.00 23.01 H new ATOM 0 HA TYR A 67 11.588 -3.399 -3.802 1.00 22.03 H new ATOM 0 HB2 TYR A 67 9.732 -1.412 -3.111 1.00 43.20 H new ATOM 0 HB3 TYR A 67 8.936 -2.293 -4.399 1.00 43.20 H new ATOM 0 HD1 TYR A 67 11.181 -3.379 -1.580 1.00 22.45 H new ATOM 0 HD2 TYR A 67 7.399 -3.797 -3.501 1.00 61.53 H new ATOM 0 HE1 TYR A 67 10.573 -5.151 0.005 1.00 61.14 H new ATOM 0 HE2 TYR A 67 6.786 -5.564 -1.909 1.00 52.43 H new ATOM 0 HH TYR A 67 7.400 -6.781 -0.170 1.00 20.22 H new ATOM 965 N ASN A 68 11.283 -2.148 -6.688 1.00 2.33 N ATOM 966 CA ASN A 68 11.141 -2.420 -8.114 1.00 72.01 C ATOM 967 C ASN A 68 9.718 -2.860 -8.445 1.00 61.10 C ATOM 968 O ASN A 68 9.510 -3.814 -9.195 1.00 61.33 O ATOM 969 CB ASN A 68 12.133 -3.500 -8.550 1.00 62.14 C ATOM 970 CG ASN A 68 13.548 -2.968 -8.676 1.00 45.32 C ATOM 971 OD1 ASN A 68 14.173 -2.594 -7.683 1.00 41.30 O ATOM 972 ND2 ASN A 68 14.060 -2.931 -9.901 1.00 34.22 N ATOM 0 H ASN A 68 11.737 -1.261 -6.471 1.00 2.33 H new ATOM 0 HA ASN A 68 11.354 -1.499 -8.656 1.00 72.01 H new ATOM 0 HB2 ASN A 68 12.118 -4.317 -7.828 1.00 62.14 H new ATOM 0 HB3 ASN A 68 11.817 -3.915 -9.507 1.00 62.14 H new ATOM 0 HD21 ASN A 68 15.007 -2.582 -10.047 1.00 34.22 H new ATOM 0 HD22 ASN A 68 13.506 -3.251 -10.695 1.00 34.22 H new ATOM 978 N ILE A 69 8.742 -2.155 -7.883 1.00 54.03 N ATOM 979 CA ILE A 69 7.338 -2.471 -8.119 1.00 31.11 C ATOM 980 C ILE A 69 6.679 -1.418 -9.003 1.00 64.22 C ATOM 981 O ILE A 69 7.175 -0.298 -9.125 1.00 42.54 O ATOM 982 CB ILE A 69 6.555 -2.580 -6.797 1.00 12.31 C ATOM 983 CG1 ILE A 69 6.801 -1.344 -5.930 1.00 65.32 C ATOM 984 CG2 ILE A 69 6.950 -3.845 -6.050 1.00 54.22 C ATOM 985 CD1 ILE A 69 6.046 -1.364 -4.620 1.00 3.12 C ATOM 0 H ILE A 69 8.897 -1.361 -7.261 1.00 54.03 H new ATOM 0 HA ILE A 69 7.312 -3.435 -8.626 1.00 31.11 H new ATOM 0 HB ILE A 69 5.491 -2.634 -7.026 1.00 12.31 H new ATOM 0 HG12 ILE A 69 7.868 -1.262 -5.724 1.00 65.32 H new ATOM 0 HG13 ILE A 69 6.515 -0.454 -6.491 1.00 65.32 H new ATOM 0 HG21 ILE A 69 6.388 -3.908 -5.118 1.00 54.22 H new ATOM 0 HG22 ILE A 69 6.728 -4.716 -6.667 1.00 54.22 H new ATOM 0 HG23 ILE A 69 8.017 -3.819 -5.829 1.00 54.22 H new ATOM 0 HD11 ILE A 69 6.269 -0.457 -4.058 1.00 3.12 H new ATOM 0 HD12 ILE A 69 4.975 -1.415 -4.818 1.00 3.12 H new ATOM 0 HD13 ILE A 69 6.349 -2.235 -4.039 1.00 3.12 H new ATOM 996 N GLN A 70 5.557 -1.784 -9.614 1.00 44.01 N ATOM 997 CA GLN A 70 4.829 -0.869 -10.486 1.00 51.33 C ATOM 998 C GLN A 70 3.622 -0.278 -9.767 1.00 74.40 C ATOM 999 O GLN A 70 2.540 -0.868 -9.758 1.00 23.32 O ATOM 1000 CB GLN A 70 4.378 -1.592 -11.756 1.00 61.14 C ATOM 1001 CG GLN A 70 5.477 -1.738 -12.796 1.00 73.21 C ATOM 1002 CD GLN A 70 6.513 -2.776 -12.409 1.00 71.50 C ATOM 1003 OE1 GLN A 70 6.226 -3.702 -11.650 1.00 43.31 O ATOM 1004 NE2 GLN A 70 7.726 -2.625 -12.929 1.00 33.14 N ATOM 0 H GLN A 70 5.132 -2.707 -9.522 1.00 44.01 H new ATOM 0 HA GLN A 70 5.501 -0.055 -10.759 1.00 51.33 H new ATOM 0 HB2 GLN A 70 4.008 -2.582 -11.489 1.00 61.14 H new ATOM 0 HB3 GLN A 70 3.542 -1.048 -12.196 1.00 61.14 H new ATOM 0 HG2 GLN A 70 5.033 -2.013 -13.753 1.00 73.21 H new ATOM 0 HG3 GLN A 70 5.968 -0.775 -12.938 1.00 73.21 H new ATOM 0 HE21 GLN A 70 7.919 -1.842 -13.554 1.00 33.14 H new ATOM 0 HE22 GLN A 70 8.464 -3.292 -12.703 1.00 33.14 H new ATOM 1011 N LYS A 71 3.812 0.891 -9.164 1.00 73.25 N ATOM 1012 CA LYS A 71 2.739 1.564 -8.442 1.00 12.24 C ATOM 1013 C LYS A 71 2.388 2.893 -9.104 1.00 41.04 C ATOM 1014 O LYS A 71 1.471 3.589 -8.668 1.00 4.13 O ATOM 1015 CB LYS A 71 3.144 1.798 -6.985 1.00 3.44 C ATOM 1016 CG LYS A 71 2.052 2.436 -6.145 1.00 71.15 C ATOM 1017 CD LYS A 71 2.402 3.864 -5.764 1.00 24.33 C ATOM 1018 CE LYS A 71 2.736 3.982 -4.285 1.00 61.01 C ATOM 1019 NZ LYS A 71 3.872 4.914 -4.044 1.00 12.52 N ATOM 0 H LYS A 71 4.700 1.392 -9.161 1.00 73.25 H new ATOM 0 HA LYS A 71 1.859 0.922 -8.468 1.00 12.24 H new ATOM 0 HB2 LYS A 71 3.425 0.845 -6.537 1.00 3.44 H new ATOM 0 HB3 LYS A 71 4.028 2.435 -6.960 1.00 3.44 H new ATOM 0 HG2 LYS A 71 1.113 2.426 -6.699 1.00 71.15 H new ATOM 0 HG3 LYS A 71 1.895 1.846 -5.242 1.00 71.15 H new ATOM 0 HD2 LYS A 71 3.251 4.202 -6.358 1.00 24.33 H new ATOM 0 HD3 LYS A 71 1.565 4.520 -6.002 1.00 24.33 H new ATOM 0 HE2 LYS A 71 1.858 4.332 -3.742 1.00 61.01 H new ATOM 0 HE3 LYS A 71 2.984 2.997 -3.889 1.00 61.01 H new ATOM 0 HZ1 LYS A 71 4.167 4.851 -3.049 1.00 12.52 H new ATOM 0 HZ2 LYS A 71 4.670 4.655 -4.659 1.00 12.52 H new ATOM 0 HZ3 LYS A 71 3.573 5.887 -4.256 1.00 12.52 H new ATOM 1029 N GLU A 72 3.122 3.236 -10.157 1.00 13.20 N ATOM 1030 CA GLU A 72 2.887 4.481 -10.878 1.00 10.42 C ATOM 1031 C GLU A 72 1.891 4.272 -12.016 1.00 51.24 C ATOM 1032 O GLU A 72 1.852 5.048 -12.970 1.00 14.44 O ATOM 1033 CB GLU A 72 4.203 5.032 -11.432 1.00 14.35 C ATOM 1034 CG GLU A 72 4.813 4.167 -12.522 1.00 24.51 C ATOM 1035 CD GLU A 72 6.155 4.691 -12.999 1.00 70.20 C ATOM 1036 OE1 GLU A 72 6.923 5.207 -12.160 1.00 34.12 O ATOM 1037 OE2 GLU A 72 6.435 4.584 -14.211 1.00 20.51 O ATOM 0 H GLU A 72 3.884 2.670 -10.530 1.00 13.20 H new ATOM 0 HA GLU A 72 2.466 5.202 -10.178 1.00 10.42 H new ATOM 0 HB2 GLU A 72 4.030 6.033 -11.828 1.00 14.35 H new ATOM 0 HB3 GLU A 72 4.918 5.131 -10.615 1.00 14.35 H new ATOM 0 HG2 GLU A 72 4.936 3.151 -12.148 1.00 24.51 H new ATOM 0 HG3 GLU A 72 4.126 4.115 -13.367 1.00 24.51 H new ATOM 1042 N SER A 73 1.090 3.217 -11.906 1.00 45.12 N ATOM 1043 CA SER A 73 0.098 2.901 -12.927 1.00 23.54 C ATOM 1044 C SER A 73 -1.304 2.853 -12.326 1.00 70.42 C ATOM 1045 O SER A 73 -2.053 3.828 -12.386 1.00 31.15 O ATOM 1046 CB SER A 73 0.427 1.564 -13.592 1.00 54.22 C ATOM 1047 OG SER A 73 0.747 0.579 -12.625 1.00 51.40 O ATOM 0 H SER A 73 1.109 2.567 -11.120 1.00 45.12 H new ATOM 0 HA SER A 73 0.125 3.689 -13.680 1.00 23.54 H new ATOM 0 HB2 SER A 73 -0.423 1.231 -14.187 1.00 54.22 H new ATOM 0 HB3 SER A 73 1.265 1.691 -14.277 1.00 54.22 H new ATOM 0 HG SER A 73 0.952 -0.267 -13.075 1.00 51.40 H new ATOM 1052 N THR A 74 -1.652 1.709 -11.744 1.00 41.41 N ATOM 1053 CA THR A 74 -2.962 1.531 -11.132 1.00 35.21 C ATOM 1054 C THR A 74 -2.850 0.820 -9.788 1.00 4.42 C ATOM 1055 O THR A 74 -2.556 -0.375 -9.730 1.00 32.50 O ATOM 1056 CB THR A 74 -3.905 0.727 -12.047 1.00 5.34 C ATOM 1057 OG1 THR A 74 -3.539 0.921 -13.418 1.00 12.41 O ATOM 1058 CG2 THR A 74 -5.352 1.149 -11.839 1.00 64.44 C ATOM 0 H THR A 74 -1.044 0.892 -11.684 1.00 41.41 H new ATOM 0 HA THR A 74 -3.377 2.527 -10.980 1.00 35.21 H new ATOM 0 HB THR A 74 -3.811 -0.328 -11.791 1.00 5.34 H new ATOM 0 HG1 THR A 74 -4.142 0.405 -13.994 1.00 12.41 H new ATOM 0 HG21 THR A 74 -5.999 0.567 -12.496 1.00 64.44 H new ATOM 0 HG22 THR A 74 -5.637 0.974 -10.802 1.00 64.44 H new ATOM 0 HG23 THR A 74 -5.459 2.209 -12.070 1.00 64.44 H new ATOM 1066 N LEU A 75 -3.085 1.561 -8.711 1.00 12.23 N ATOM 1067 CA LEU A 75 -3.011 1.000 -7.366 1.00 5.52 C ATOM 1068 C LEU A 75 -4.214 1.426 -6.532 1.00 73.34 C ATOM 1069 O LEU A 75 -4.580 2.602 -6.506 1.00 74.14 O ATOM 1070 CB LEU A 75 -1.718 1.442 -6.679 1.00 3.23 C ATOM 1071 CG LEU A 75 -0.803 0.322 -6.183 1.00 15.30 C ATOM 1072 CD1 LEU A 75 -1.397 -0.347 -4.954 1.00 74.32 C ATOM 1073 CD2 LEU A 75 -0.566 -0.700 -7.287 1.00 73.44 C ATOM 0 H LEU A 75 -3.328 2.551 -8.742 1.00 12.23 H new ATOM 0 HA LEU A 75 -3.017 -0.087 -7.451 1.00 5.52 H new ATOM 0 HB2 LEU A 75 -1.154 2.062 -7.376 1.00 3.23 H new ATOM 0 HB3 LEU A 75 -1.979 2.073 -5.830 1.00 3.23 H new ATOM 0 HG LEU A 75 0.157 0.758 -5.906 1.00 15.30 H new ATOM 0 HD11 LEU A 75 -0.732 -1.141 -4.615 1.00 74.32 H new ATOM 0 HD12 LEU A 75 -1.516 0.390 -4.160 1.00 74.32 H new ATOM 0 HD13 LEU A 75 -2.370 -0.770 -5.204 1.00 74.32 H new ATOM 0 HD21 LEU A 75 0.087 -1.490 -6.917 1.00 73.44 H new ATOM 0 HD22 LEU A 75 -1.519 -1.131 -7.594 1.00 73.44 H new ATOM 0 HD23 LEU A 75 -0.097 -0.211 -8.141 1.00 73.44 H new ATOM 1084 N HIS A 76 -4.825 0.462 -5.850 1.00 61.03 N ATOM 1085 CA HIS A 76 -5.987 0.737 -5.011 1.00 20.33 C ATOM 1086 C HIS A 76 -5.716 0.346 -3.562 1.00 23.43 C ATOM 1087 O HIS A 76 -5.674 -0.838 -3.225 1.00 30.50 O ATOM 1088 CB HIS A 76 -7.210 -0.016 -5.534 1.00 10.35 C ATOM 1089 CG HIS A 76 -7.317 -0.019 -7.029 1.00 73.03 C ATOM 1090 ND1 HIS A 76 -7.930 -1.032 -7.737 1.00 23.11 N ATOM 1091 CD2 HIS A 76 -6.886 0.874 -7.950 1.00 44.22 C ATOM 1092 CE1 HIS A 76 -7.870 -0.761 -9.029 1.00 34.40 C ATOM 1093 NE2 HIS A 76 -7.241 0.390 -9.185 1.00 54.04 N ATOM 0 H HIS A 76 -4.535 -0.516 -5.862 1.00 61.03 H new ATOM 0 HA HIS A 76 -6.186 1.808 -5.049 1.00 20.33 H new ATOM 0 HB2 HIS A 76 -7.172 -1.046 -5.178 1.00 10.35 H new ATOM 0 HB3 HIS A 76 -8.110 0.433 -5.114 1.00 10.35 H new ATOM 0 HD1 HIS A 76 -8.362 -1.860 -7.327 1.00 23.11 H new ATOM 0 HD2 HIS A 76 -6.360 1.796 -7.751 1.00 44.22 H new ATOM 0 HE1 HIS A 76 -8.268 -1.376 -9.823 1.00 34.40 H new ATOM 1100 N LEU A 77 -5.531 1.347 -2.708 1.00 22.14 N ATOM 1101 CA LEU A 77 -5.263 1.108 -1.295 1.00 61.35 C ATOM 1102 C LEU A 77 -6.194 1.937 -0.416 1.00 62.44 C ATOM 1103 O LEU A 77 -5.949 3.119 -0.176 1.00 34.11 O ATOM 1104 CB LEU A 77 -3.805 1.440 -0.969 1.00 35.53 C ATOM 1105 CG LEU A 77 -3.295 2.789 -1.475 1.00 3.41 C ATOM 1106 CD1 LEU A 77 -2.209 3.328 -0.556 1.00 22.12 C ATOM 1107 CD2 LEU A 77 -2.775 2.663 -2.899 1.00 15.51 C ATOM 0 H LEU A 77 -5.562 2.332 -2.970 1.00 22.14 H new ATOM 0 HA LEU A 77 -5.444 0.053 -1.090 1.00 61.35 H new ATOM 0 HB2 LEU A 77 -3.680 1.409 0.113 1.00 35.53 H new ATOM 0 HB3 LEU A 77 -3.173 0.656 -1.385 1.00 35.53 H new ATOM 0 HG LEU A 77 -4.127 3.493 -1.474 1.00 3.41 H new ATOM 0 HD11 LEU A 77 -1.858 4.289 -0.932 1.00 22.12 H new ATOM 0 HD12 LEU A 77 -2.613 3.457 0.448 1.00 22.12 H new ATOM 0 HD13 LEU A 77 -1.377 2.625 -0.525 1.00 22.12 H new ATOM 0 HD21 LEU A 77 -2.416 3.633 -3.242 1.00 15.51 H new ATOM 0 HD22 LEU A 77 -1.957 1.943 -2.925 1.00 15.51 H new ATOM 0 HD23 LEU A 77 -3.579 2.322 -3.551 1.00 15.51 H new ATOM 1118 N VAL A 78 -7.262 1.308 0.064 1.00 13.44 N ATOM 1119 CA VAL A 78 -8.230 1.986 0.918 1.00 64.41 C ATOM 1120 C VAL A 78 -8.834 1.024 1.935 1.00 64.21 C ATOM 1121 O VAL A 78 -9.278 -0.070 1.584 1.00 5.02 O ATOM 1122 CB VAL A 78 -9.364 2.619 0.091 1.00 22.34 C ATOM 1123 CG1 VAL A 78 -9.941 3.828 0.813 1.00 4.01 C ATOM 1124 CG2 VAL A 78 -8.863 3.004 -1.293 1.00 63.14 C ATOM 0 H VAL A 78 -7.479 0.329 -0.124 1.00 13.44 H new ATOM 0 HA VAL A 78 -7.690 2.774 1.443 1.00 64.41 H new ATOM 0 HB VAL A 78 -10.159 1.882 -0.027 1.00 22.34 H new ATOM 0 HG11 VAL A 78 -10.741 4.262 0.213 1.00 4.01 H new ATOM 0 HG12 VAL A 78 -10.339 3.519 1.780 1.00 4.01 H new ATOM 0 HG13 VAL A 78 -9.157 4.570 0.964 1.00 4.01 H new ATOM 0 HG21 VAL A 78 -9.678 3.450 -1.864 1.00 63.14 H new ATOM 0 HG22 VAL A 78 -8.050 3.724 -1.198 1.00 63.14 H new ATOM 0 HG23 VAL A 78 -8.502 2.115 -1.810 1.00 63.14 H new ATOM 1134 N LEU A 79 -8.848 1.438 3.197 1.00 62.43 N ATOM 1135 CA LEU A 79 -9.398 0.614 4.267 1.00 71.21 C ATOM 1136 C LEU A 79 -10.643 1.259 4.867 1.00 41.12 C ATOM 1137 O LEU A 79 -10.562 2.301 5.517 1.00 63.21 O ATOM 1138 CB LEU A 79 -8.349 0.392 5.358 1.00 52.24 C ATOM 1139 CG LEU A 79 -8.681 -0.675 6.401 1.00 73.45 C ATOM 1140 CD1 LEU A 79 -8.906 -2.023 5.735 1.00 2.33 C ATOM 1141 CD2 LEU A 79 -7.571 -0.770 7.439 1.00 75.03 C ATOM 0 H LEU A 79 -8.484 2.340 3.504 1.00 62.43 H new ATOM 0 HA LEU A 79 -9.680 -0.349 3.841 1.00 71.21 H new ATOM 0 HB2 LEU A 79 -7.407 0.123 4.879 1.00 52.24 H new ATOM 0 HB3 LEU A 79 -8.185 1.338 5.874 1.00 52.24 H new ATOM 0 HG LEU A 79 -9.602 -0.385 6.907 1.00 73.45 H new ATOM 0 HD11 LEU A 79 -9.141 -2.769 6.494 1.00 2.33 H new ATOM 0 HD12 LEU A 79 -9.735 -1.947 5.031 1.00 2.33 H new ATOM 0 HD13 LEU A 79 -8.003 -2.320 5.201 1.00 2.33 H new ATOM 0 HD21 LEU A 79 -7.824 -1.534 8.174 1.00 75.03 H new ATOM 0 HD22 LEU A 79 -6.635 -1.035 6.947 1.00 75.03 H new ATOM 0 HD23 LEU A 79 -7.458 0.191 7.940 1.00 75.03 H new ATOM 1152 N ARG A 80 -11.793 0.632 4.645 1.00 34.24 N ATOM 1153 CA ARG A 80 -13.055 1.145 5.165 1.00 51.13 C ATOM 1154 C ARG A 80 -13.203 2.634 4.862 1.00 50.51 C ATOM 1155 O ARG A 80 -13.182 3.468 5.767 1.00 52.05 O ATOM 1156 CB ARG A 80 -13.143 0.910 6.674 1.00 12.02 C ATOM 1157 CG ARG A 80 -14.489 1.288 7.271 1.00 23.53 C ATOM 1158 CD ARG A 80 -14.329 1.924 8.644 1.00 73.04 C ATOM 1159 NE ARG A 80 -14.151 3.371 8.560 1.00 75.41 N ATOM 1160 CZ ARG A 80 -13.829 4.133 9.600 1.00 41.54 C ATOM 1161 NH1 ARG A 80 -13.649 3.588 10.795 1.00 11.21 N ATOM 1162 NH2 ARG A 80 -13.684 5.442 9.444 1.00 10.45 N ATOM 0 H ARG A 80 -11.877 -0.232 4.109 1.00 34.24 H new ATOM 0 HA ARG A 80 -13.866 0.609 4.673 1.00 51.13 H new ATOM 0 HB2 ARG A 80 -12.945 -0.142 6.882 1.00 12.02 H new ATOM 0 HB3 ARG A 80 -12.361 1.485 7.169 1.00 12.02 H new ATOM 0 HG2 ARG A 80 -15.002 1.981 6.605 1.00 23.53 H new ATOM 0 HG3 ARG A 80 -15.116 0.400 7.351 1.00 23.53 H new ATOM 0 HD2 ARG A 80 -15.207 1.701 9.251 1.00 73.04 H new ATOM 0 HD3 ARG A 80 -13.471 1.482 9.150 1.00 73.04 H new ATOM 0 HE ARG A 80 -14.281 3.821 7.654 1.00 75.41 H new ATOM 0 HH11 ARG A 80 -13.758 2.581 10.918 1.00 11.21 H new ATOM 0 HH12 ARG A 80 -13.402 4.175 11.591 1.00 11.21 H new ATOM 0 HH21 ARG A 80 -13.820 5.864 8.525 1.00 10.45 H new ATOM 0 HH22 ARG A 80 -13.437 6.026 10.243 1.00 10.45 H new ATOM 1173 N LEU A 81 -13.353 2.959 3.582 1.00 65.13 N ATOM 1174 CA LEU A 81 -13.503 4.347 3.159 1.00 12.42 C ATOM 1175 C LEU A 81 -14.600 5.044 3.957 1.00 73.24 C ATOM 1176 O LEU A 81 -15.365 4.398 4.674 1.00 61.13 O ATOM 1177 CB LEU A 81 -13.825 4.412 1.664 1.00 40.01 C ATOM 1178 CG LEU A 81 -15.247 4.017 1.266 1.00 1.32 C ATOM 1179 CD1 LEU A 81 -15.671 2.747 1.987 1.00 4.20 C ATOM 1180 CD2 LEU A 81 -16.218 5.150 1.562 1.00 23.13 C ATOM 0 H LEU A 81 -13.374 2.281 2.820 1.00 65.13 H new ATOM 0 HA LEU A 81 -12.561 4.862 3.345 1.00 12.42 H new ATOM 0 HB2 LEU A 81 -13.641 5.429 1.317 1.00 40.01 H new ATOM 0 HB3 LEU A 81 -13.127 3.763 1.134 1.00 40.01 H new ATOM 0 HG LEU A 81 -15.262 3.823 0.194 1.00 1.32 H new ATOM 0 HD11 LEU A 81 -16.686 2.482 1.691 1.00 4.20 H new ATOM 0 HD12 LEU A 81 -14.993 1.935 1.724 1.00 4.20 H new ATOM 0 HD13 LEU A 81 -15.639 2.912 3.064 1.00 4.20 H new ATOM 0 HD21 LEU A 81 -17.225 4.851 1.272 1.00 23.13 H new ATOM 0 HD22 LEU A 81 -16.199 5.376 2.628 1.00 23.13 H new ATOM 0 HD23 LEU A 81 -15.926 6.036 0.998 1.00 23.13 H new ATOM 1191 N ARG A 82 -14.673 6.364 3.826 1.00 54.42 N ATOM 1192 CA ARG A 82 -15.678 7.148 4.534 1.00 63.34 C ATOM 1193 C ARG A 82 -16.215 8.270 3.650 1.00 43.11 C ATOM 1194 O ARG A 82 -17.424 8.407 3.470 1.00 42.10 O ATOM 1195 CB ARG A 82 -15.085 7.735 5.817 1.00 12.00 C ATOM 1196 CG ARG A 82 -16.062 8.599 6.599 1.00 24.31 C ATOM 1197 CD ARG A 82 -15.436 9.123 7.883 1.00 33.02 C ATOM 1198 NE ARG A 82 -16.313 10.067 8.572 1.00 74.13 N ATOM 1199 CZ ARG A 82 -15.893 10.909 9.508 1.00 24.24 C ATOM 1200 NH1 ARG A 82 -14.616 10.927 9.864 1.00 62.51 N ATOM 1201 NH2 ARG A 82 -16.751 11.738 10.090 1.00 22.11 N ATOM 0 H ARG A 82 -14.048 6.913 3.236 1.00 54.42 H new ATOM 0 HA ARG A 82 -16.504 6.486 4.792 1.00 63.34 H new ATOM 0 HB2 ARG A 82 -14.742 6.920 6.455 1.00 12.00 H new ATOM 0 HB3 ARG A 82 -14.209 8.331 5.563 1.00 12.00 H new ATOM 0 HG2 ARG A 82 -16.384 9.437 5.981 1.00 24.31 H new ATOM 0 HG3 ARG A 82 -16.953 8.018 6.838 1.00 24.31 H new ATOM 0 HD2 ARG A 82 -15.212 8.287 8.545 1.00 33.02 H new ATOM 0 HD3 ARG A 82 -14.488 9.610 7.652 1.00 33.02 H new ATOM 0 HE ARG A 82 -17.301 10.080 8.320 1.00 74.13 H new ATOM 0 HH11 ARG A 82 -13.953 10.293 9.418 1.00 62.51 H new ATOM 0 HH12 ARG A 82 -14.296 11.575 10.584 1.00 62.51 H new ATOM 0 HH21 ARG A 82 -17.734 11.728 9.818 1.00 22.11 H new ATOM 0 HH22 ARG A 82 -16.427 12.385 10.809 1.00 22.11 H new ATOM 1212 N GLY A 83 -15.307 9.071 3.101 1.00 42.32 N ATOM 1213 CA GLY A 83 -15.708 10.169 2.242 1.00 61.51 C ATOM 1214 C GLY A 83 -15.622 11.512 2.942 1.00 42.10 C ATOM 1215 O GLY A 83 -16.574 11.944 3.591 1.00 12.10 O ATOM 0 H GLY A 83 -14.300 8.979 3.236 1.00 42.32 H new ATOM 0 HA2 GLY A 83 -15.074 10.183 1.355 1.00 61.51 H new ATOM 0 HA3 GLY A 83 -16.730 10.005 1.901 1.00 61.51 H new ATOM 1219 N TYR A 84 -14.476 12.172 2.811 1.00 13.34 N ATOM 1220 CA TYR A 84 -14.268 13.472 3.438 1.00 51.32 C ATOM 1221 C TYR A 84 -13.081 14.196 2.810 1.00 44.15 C ATOM 1222 O TYR A 84 -11.926 13.868 3.082 1.00 4.53 O ATOM 1223 CB TYR A 84 -14.040 13.305 4.942 1.00 41.54 C ATOM 1224 CG TYR A 84 -13.655 14.588 5.642 1.00 74.41 C ATOM 1225 CD1 TYR A 84 -14.620 15.522 6.003 1.00 54.22 C ATOM 1226 CD2 TYR A 84 -12.329 14.869 5.942 1.00 4.11 C ATOM 1227 CE1 TYR A 84 -14.274 16.695 6.642 1.00 30.43 C ATOM 1228 CE2 TYR A 84 -11.973 16.040 6.582 1.00 30.45 C ATOM 1229 CZ TYR A 84 -12.949 16.950 6.930 1.00 23.32 C ATOM 1230 OH TYR A 84 -12.599 18.120 7.567 1.00 55.25 O ATOM 0 H TYR A 84 -13.678 11.828 2.277 1.00 13.34 H new ATOM 0 HA TYR A 84 -15.163 14.072 3.277 1.00 51.32 H new ATOM 0 HB2 TYR A 84 -14.949 12.911 5.397 1.00 41.54 H new ATOM 0 HB3 TYR A 84 -13.256 12.564 5.102 1.00 41.54 H new ATOM 0 HD1 TYR A 84 -15.658 15.326 5.779 1.00 54.22 H new ATOM 0 HD2 TYR A 84 -11.562 14.159 5.670 1.00 4.11 H new ATOM 0 HE1 TYR A 84 -15.036 17.410 6.915 1.00 30.43 H new ATOM 0 HE2 TYR A 84 -10.936 16.242 6.809 1.00 30.45 H new ATOM 0 HH TYR A 84 -11.628 18.144 7.696 1.00 55.25 H new ATOM 1239 N ALA A 85 -13.375 15.182 1.969 1.00 71.00 N ATOM 1240 CA ALA A 85 -12.334 15.955 1.303 1.00 72.55 C ATOM 1241 C ALA A 85 -12.600 17.451 1.424 1.00 24.44 C ATOM 1242 O ALA A 85 -13.689 17.869 1.816 1.00 14.11 O ATOM 1243 CB ALA A 85 -12.230 15.551 -0.159 1.00 71.13 C ATOM 0 H ALA A 85 -14.326 15.464 1.733 1.00 71.00 H new ATOM 0 HA ALA A 85 -11.385 15.741 1.795 1.00 72.55 H new ATOM 0 HB1 ALA A 85 -11.449 16.136 -0.644 1.00 71.13 H new ATOM 0 HB2 ALA A 85 -11.984 14.491 -0.227 1.00 71.13 H new ATOM 0 HB3 ALA A 85 -13.182 15.735 -0.656 1.00 71.13 H new ATOM 1249 N ASP A 86 -11.597 18.255 1.084 1.00 61.21 N ATOM 1250 CA ASP A 86 -11.724 19.706 1.154 1.00 1.23 C ATOM 1251 C ASP A 86 -10.483 20.387 0.583 1.00 60.12 C ATOM 1252 O ASP A 86 -9.478 19.734 0.300 1.00 71.03 O ATOM 1253 CB ASP A 86 -11.946 20.151 2.600 1.00 3.24 C ATOM 1254 CG ASP A 86 -12.605 21.515 2.691 1.00 42.25 C ATOM 1255 OD1 ASP A 86 -13.500 21.797 1.868 1.00 35.22 O ATOM 1256 OD2 ASP A 86 -12.225 22.297 3.587 1.00 4.44 O ATOM 0 H ASP A 86 -10.688 17.926 0.758 1.00 61.21 H new ATOM 0 HA ASP A 86 -12.586 20.001 0.556 1.00 1.23 H new ATOM 0 HB2 ASP A 86 -12.567 19.416 3.112 1.00 3.24 H new ATOM 0 HB3 ASP A 86 -10.988 20.178 3.120 1.00 3.24 H new ATOM 1260 N LEU A 87 -10.561 21.703 0.417 1.00 64.11 N ATOM 1261 CA LEU A 87 -9.445 22.474 -0.121 1.00 40.24 C ATOM 1262 C LEU A 87 -8.612 23.081 1.003 1.00 61.02 C ATOM 1263 O LEU A 87 -7.431 23.379 0.822 1.00 40.15 O ATOM 1264 CB LEU A 87 -9.960 23.578 -1.044 1.00 71.21 C ATOM 1265 CG LEU A 87 -11.010 23.158 -2.074 1.00 64.13 C ATOM 1266 CD1 LEU A 87 -12.412 23.365 -1.523 1.00 2.10 C ATOM 1267 CD2 LEU A 87 -10.825 23.932 -3.370 1.00 5.40 C ATOM 0 H LEU A 87 -11.385 22.258 0.647 1.00 64.11 H new ATOM 0 HA LEU A 87 -8.811 21.798 -0.694 1.00 40.24 H new ATOM 0 HB2 LEU A 87 -10.382 24.372 -0.427 1.00 71.21 H new ATOM 0 HB3 LEU A 87 -9.110 24.005 -1.575 1.00 71.21 H new ATOM 0 HG LEU A 87 -10.879 22.097 -2.286 1.00 64.13 H new ATOM 0 HD11 LEU A 87 -13.145 23.061 -2.270 1.00 2.10 H new ATOM 0 HD12 LEU A 87 -12.541 22.765 -0.622 1.00 2.10 H new ATOM 0 HD13 LEU A 87 -12.556 24.418 -1.281 1.00 2.10 H new ATOM 0 HD21 LEU A 87 -11.581 23.620 -4.091 1.00 5.40 H new ATOM 0 HD22 LEU A 87 -10.929 24.999 -3.174 1.00 5.40 H new ATOM 0 HD23 LEU A 87 -9.833 23.732 -3.775 1.00 5.40 H new ATOM 1278 N ARG A 88 -9.234 23.261 2.164 1.00 3.31 N ATOM 1279 CA ARG A 88 -8.549 23.832 3.317 1.00 23.13 C ATOM 1280 C ARG A 88 -8.393 22.795 4.425 1.00 4.11 C ATOM 1281 O ARG A 88 -9.139 21.818 4.484 1.00 35.35 O ATOM 1282 CB ARG A 88 -9.318 25.045 3.844 1.00 12.13 C ATOM 1283 CG ARG A 88 -8.430 26.094 4.493 1.00 31.11 C ATOM 1284 CD ARG A 88 -7.583 26.822 3.461 1.00 31.11 C ATOM 1285 NE ARG A 88 -8.386 27.700 2.613 1.00 55.25 N ATOM 1286 CZ ARG A 88 -8.951 28.823 3.043 1.00 63.15 C ATOM 1287 NH1 ARG A 88 -8.800 29.203 4.305 1.00 4.32 N ATOM 1288 NH2 ARG A 88 -9.667 29.568 2.212 1.00 14.31 N ATOM 0 H ARG A 88 -10.211 23.020 2.331 1.00 3.31 H new ATOM 0 HA ARG A 88 -7.556 24.150 2.998 1.00 23.13 H new ATOM 0 HB2 ARG A 88 -9.865 25.504 3.020 1.00 12.13 H new ATOM 0 HB3 ARG A 88 -10.058 24.708 4.570 1.00 12.13 H new ATOM 0 HG2 ARG A 88 -9.048 26.813 5.031 1.00 31.11 H new ATOM 0 HG3 ARG A 88 -7.781 25.618 5.228 1.00 31.11 H new ATOM 0 HD2 ARG A 88 -6.818 27.409 3.969 1.00 31.11 H new ATOM 0 HD3 ARG A 88 -7.064 26.093 2.839 1.00 31.11 H new ATOM 0 HE ARG A 88 -8.520 27.436 1.637 1.00 55.25 H new ATOM 0 HH11 ARG A 88 -8.249 28.633 4.947 1.00 4.32 H new ATOM 0 HH12 ARG A 88 -9.234 30.065 4.633 1.00 4.32 H new ATOM 0 HH21 ARG A 88 -9.785 29.279 1.241 1.00 14.31 H new ATOM 0 HH22 ARG A 88 -10.100 30.430 2.544 1.00 14.31 H new ATOM 1299 N GLU A 89 -7.416 23.014 5.300 1.00 33.22 N ATOM 1300 CA GLU A 89 -7.162 22.097 6.405 1.00 23.35 C ATOM 1301 C GLU A 89 -6.904 20.684 5.891 1.00 2.25 C ATOM 1302 O GLU A 89 -7.593 19.738 6.272 1.00 63.32 O ATOM 1303 CB GLU A 89 -8.345 22.091 7.375 1.00 50.11 C ATOM 1304 CG GLU A 89 -7.995 21.573 8.760 1.00 2.31 C ATOM 1305 CD GLU A 89 -7.387 22.643 9.646 1.00 52.34 C ATOM 1306 OE1 GLU A 89 -8.124 23.561 10.060 1.00 31.24 O ATOM 1307 OE2 GLU A 89 -6.173 22.560 9.926 1.00 23.33 O ATOM 0 H GLU A 89 -6.788 23.817 5.265 1.00 33.22 H new ATOM 0 HA GLU A 89 -6.272 22.441 6.932 1.00 23.35 H new ATOM 0 HB2 GLU A 89 -8.736 23.105 7.464 1.00 50.11 H new ATOM 0 HB3 GLU A 89 -9.143 21.477 6.958 1.00 50.11 H new ATOM 0 HG2 GLU A 89 -8.894 21.181 9.235 1.00 2.31 H new ATOM 0 HG3 GLU A 89 -7.295 20.742 8.667 1.00 2.31 H new ATOM 1312 N ASP A 90 -5.908 20.550 5.022 1.00 42.33 N ATOM 1313 CA ASP A 90 -5.558 19.252 4.455 1.00 34.13 C ATOM 1314 C ASP A 90 -4.119 18.881 4.797 1.00 44.33 C ATOM 1315 O ASP A 90 -3.296 19.731 5.139 1.00 74.30 O ATOM 1316 CB ASP A 90 -5.748 19.268 2.938 1.00 41.32 C ATOM 1317 CG ASP A 90 -5.451 20.624 2.330 1.00 64.04 C ATOM 1318 OD1 ASP A 90 -6.319 21.517 2.420 1.00 62.42 O ATOM 1319 OD2 ASP A 90 -4.351 20.793 1.764 1.00 2.43 O ATOM 0 H ASP A 90 -5.329 21.323 4.695 1.00 42.33 H new ATOM 0 HA ASP A 90 -6.220 18.502 4.888 1.00 34.13 H new ATOM 0 HB2 ASP A 90 -5.097 18.520 2.486 1.00 41.32 H new ATOM 0 HB3 ASP A 90 -6.773 18.984 2.700 1.00 41.32 H new ATOM 1323 N PRO A 91 -3.804 17.580 4.702 1.00 12.30 N ATOM 1324 CA PRO A 91 -2.463 17.066 4.997 1.00 13.42 C ATOM 1325 C PRO A 91 -1.437 17.491 3.952 1.00 42.35 C ATOM 1326 O PRO A 91 -1.289 16.846 2.914 1.00 14.24 O ATOM 1327 CB PRO A 91 -2.653 15.547 4.974 1.00 3.40 C ATOM 1328 CG PRO A 91 -3.832 15.327 4.090 1.00 53.15 C ATOM 1329 CD PRO A 91 -4.734 16.511 4.298 1.00 24.34 C ATOM 0 HA PRO A 91 -2.079 17.447 5.943 1.00 13.42 H new ATOM 0 HB2 PRO A 91 -1.768 15.043 4.586 1.00 3.40 H new ATOM 0 HB3 PRO A 91 -2.830 15.155 5.975 1.00 3.40 H new ATOM 0 HG2 PRO A 91 -3.527 15.247 3.046 1.00 53.15 H new ATOM 0 HG3 PRO A 91 -4.343 14.398 4.345 1.00 53.15 H new ATOM 0 HD2 PRO A 91 -5.273 16.770 3.387 1.00 24.34 H new ATOM 0 HD3 PRO A 91 -5.482 16.317 5.067 1.00 24.34 H new ATOM 1334 N ASP A 92 -0.729 18.580 4.234 1.00 12.52 N ATOM 1335 CA ASP A 92 0.285 19.090 3.319 1.00 52.33 C ATOM 1336 C ASP A 92 1.196 20.091 4.021 1.00 32.42 C ATOM 1337 O ASP A 92 0.724 21.003 4.700 1.00 64.42 O ATOM 1338 CB ASP A 92 -0.375 19.745 2.105 1.00 12.22 C ATOM 1339 CG ASP A 92 -0.555 18.779 0.951 1.00 22.11 C ATOM 1340 OD1 ASP A 92 0.342 17.937 0.738 1.00 12.54 O ATOM 1341 OD2 ASP A 92 -1.593 18.864 0.261 1.00 73.41 O ATOM 0 H ASP A 92 -0.839 19.126 5.089 1.00 12.52 H new ATOM 0 HA ASP A 92 0.891 18.249 2.982 1.00 52.33 H new ATOM 0 HB2 ASP A 92 -1.347 20.145 2.395 1.00 12.22 H new ATOM 0 HB3 ASP A 92 0.232 20.589 1.777 1.00 12.22 H new ATOM 1345 N ARG A 93 2.502 19.915 3.853 1.00 3.24 N ATOM 1346 CA ARG A 93 3.479 20.802 4.472 1.00 65.33 C ATOM 1347 C ARG A 93 4.377 21.443 3.419 1.00 4.04 C ATOM 1348 O ARG A 93 4.122 21.328 2.220 1.00 42.30 O ATOM 1349 CB ARG A 93 4.331 20.031 5.483 1.00 22.44 C ATOM 1350 CG ARG A 93 3.522 19.124 6.395 1.00 43.45 C ATOM 1351 CD ARG A 93 4.282 18.795 7.670 1.00 51.25 C ATOM 1352 NE ARG A 93 5.195 17.670 7.488 1.00 43.33 N ATOM 1353 CZ ARG A 93 5.756 17.007 8.494 1.00 23.53 C ATOM 1354 NH1 ARG A 93 5.498 17.357 9.747 1.00 13.22 N ATOM 1355 NH2 ARG A 93 6.576 15.994 8.249 1.00 44.50 N ATOM 0 H ARG A 93 2.908 19.166 3.293 1.00 3.24 H new ATOM 0 HA ARG A 93 2.936 21.592 4.991 1.00 65.33 H new ATOM 0 HB2 ARG A 93 5.064 19.430 4.944 1.00 22.44 H new ATOM 0 HB3 ARG A 93 4.888 20.742 6.093 1.00 22.44 H new ATOM 0 HG2 ARG A 93 2.578 19.608 6.647 1.00 43.45 H new ATOM 0 HG3 ARG A 93 3.277 18.202 5.868 1.00 43.45 H new ATOM 0 HD2 ARG A 93 4.845 19.671 7.992 1.00 51.25 H new ATOM 0 HD3 ARG A 93 3.573 18.562 8.465 1.00 51.25 H new ATOM 0 HE ARG A 93 5.414 17.377 6.536 1.00 43.33 H new ATOM 0 HH11 ARG A 93 4.868 18.136 9.940 1.00 13.22 H new ATOM 0 HH12 ARG A 93 5.929 16.847 10.518 1.00 13.22 H new ATOM 0 HH21 ARG A 93 6.777 15.722 7.287 1.00 44.50 H new ATOM 0 HH22 ARG A 93 7.005 15.487 9.023 1.00 44.50 H new ATOM 1366 N GLN A 94 5.427 22.119 3.874 1.00 61.40 N ATOM 1367 CA GLN A 94 6.361 22.780 2.970 1.00 22.10 C ATOM 1368 C GLN A 94 7.525 21.859 2.622 1.00 55.24 C ATOM 1369 O GLN A 94 8.029 21.129 3.476 1.00 55.43 O ATOM 1370 CB GLN A 94 6.888 24.070 3.601 1.00 54.30 C ATOM 1371 CG GLN A 94 5.802 24.929 4.228 1.00 34.21 C ATOM 1372 CD GLN A 94 6.336 26.236 4.780 1.00 33.11 C ATOM 1373 OE1 GLN A 94 6.210 27.287 4.150 1.00 44.22 O ATOM 1374 NE2 GLN A 94 6.937 26.177 5.963 1.00 21.45 N ATOM 0 H GLN A 94 5.652 22.223 4.863 1.00 61.40 H new ATOM 0 HA GLN A 94 5.827 23.024 2.052 1.00 22.10 H new ATOM 0 HB2 GLN A 94 7.625 23.817 4.363 1.00 54.30 H new ATOM 0 HB3 GLN A 94 7.405 24.652 2.839 1.00 54.30 H new ATOM 0 HG2 GLN A 94 5.036 25.140 3.482 1.00 34.21 H new ATOM 0 HG3 GLN A 94 5.320 24.370 5.030 1.00 34.21 H new ATOM 0 HE21 GLN A 94 7.019 25.284 6.450 1.00 21.45 H new ATOM 0 HE22 GLN A 94 7.317 27.024 6.385 1.00 21.45 H new ATOM 1381 N ASP A 95 7.946 21.897 1.363 1.00 5.32 N ATOM 1382 CA ASP A 95 9.052 21.065 0.901 1.00 2.14 C ATOM 1383 C ASP A 95 10.314 21.899 0.705 1.00 5.23 C ATOM 1384 O ASP A 95 10.863 21.964 -0.396 1.00 32.24 O ATOM 1385 CB ASP A 95 8.680 20.365 -0.407 1.00 22.22 C ATOM 1386 CG ASP A 95 7.741 19.195 -0.190 1.00 73.32 C ATOM 1387 OD1 ASP A 95 8.189 18.170 0.365 1.00 41.12 O ATOM 1388 OD2 ASP A 95 6.559 19.303 -0.576 1.00 34.31 O ATOM 0 H ASP A 95 7.539 22.495 0.644 1.00 5.32 H new ATOM 0 HA ASP A 95 9.251 20.312 1.663 1.00 2.14 H new ATOM 0 HB2 ASP A 95 8.211 21.083 -1.080 1.00 22.22 H new ATOM 0 HB3 ASP A 95 9.587 20.013 -0.898 1.00 22.22 H new ATOM 1392 N HIS A 96 10.770 22.537 1.779 1.00 12.33 N ATOM 1393 CA HIS A 96 11.967 23.368 1.724 1.00 42.11 C ATOM 1394 C HIS A 96 13.204 22.564 2.115 1.00 12.54 C ATOM 1395 O HIS A 96 13.096 21.465 2.660 1.00 4.32 O ATOM 1396 CB HIS A 96 11.817 24.577 2.648 1.00 63.34 C ATOM 1397 CG HIS A 96 11.120 25.737 2.007 1.00 40.03 C ATOM 1398 ND1 HIS A 96 10.311 25.610 0.899 1.00 1.14 N ATOM 1399 CD2 HIS A 96 11.113 27.052 2.328 1.00 30.41 C ATOM 1400 CE1 HIS A 96 9.838 26.797 0.563 1.00 71.50 C ATOM 1401 NE2 HIS A 96 10.309 27.690 1.415 1.00 52.32 N ATOM 0 H HIS A 96 10.328 22.494 2.697 1.00 12.33 H new ATOM 0 HA HIS A 96 12.091 23.717 0.699 1.00 42.11 H new ATOM 0 HB2 HIS A 96 11.263 24.277 3.538 1.00 63.34 H new ATOM 0 HB3 HIS A 96 12.805 24.895 2.980 1.00 63.34 H new ATOM 0 HD2 HIS A 96 11.641 27.514 3.149 1.00 30.41 H new ATOM 0 HE1 HIS A 96 9.178 27.002 -0.267 1.00 71.50 H new ATOM 0 HE2 HIS A 96 10.108 28.690 1.398 1.00 52.32 H new ATOM 1408 N HIS A 97 14.378 23.119 1.831 1.00 12.20 N ATOM 1409 CA HIS A 97 15.636 22.454 2.152 1.00 34.13 C ATOM 1410 C HIS A 97 16.478 23.310 3.094 1.00 22.00 C ATOM 1411 O HIS A 97 16.286 24.520 3.209 1.00 64.31 O ATOM 1412 CB HIS A 97 16.421 22.157 0.875 1.00 52.33 C ATOM 1413 CG HIS A 97 16.166 20.790 0.319 1.00 71.03 C ATOM 1414 ND1 HIS A 97 14.912 20.346 -0.045 1.00 23.42 N ATOM 1415 CD2 HIS A 97 17.013 19.765 0.064 1.00 50.31 C ATOM 1416 CE1 HIS A 97 14.999 19.109 -0.498 1.00 35.41 C ATOM 1417 NE2 HIS A 97 16.263 18.733 -0.443 1.00 45.25 N ATOM 0 H HIS A 97 14.484 24.027 1.379 1.00 12.20 H new ATOM 0 HA HIS A 97 15.404 21.514 2.653 1.00 34.13 H new ATOM 0 HB2 HIS A 97 16.166 22.901 0.120 1.00 52.33 H new ATOM 0 HB3 HIS A 97 17.486 22.264 1.080 1.00 52.33 H new ATOM 0 HD2 HIS A 97 18.080 19.760 0.229 1.00 50.31 H new ATOM 0 HE1 HIS A 97 14.176 18.507 -0.853 1.00 35.41 H new ATOM 0 HE2 HIS A 97 16.624 17.823 -0.731 1.00 45.25 H new ATOM 1424 N PRO A 98 17.433 22.668 3.783 1.00 51.53 N ATOM 1425 CA PRO A 98 18.323 23.350 4.727 1.00 23.53 C ATOM 1426 C PRO A 98 19.313 24.274 4.025 1.00 63.14 C ATOM 1427 O PRO A 98 19.633 24.081 2.853 1.00 33.24 O ATOM 1428 CB PRO A 98 19.060 22.200 5.416 1.00 13.15 C ATOM 1429 CG PRO A 98 19.019 21.081 4.432 1.00 61.30 C ATOM 1430 CD PRO A 98 17.717 21.226 3.695 1.00 53.23 C ATOM 0 HA PRO A 98 17.773 23.992 5.414 1.00 23.53 H new ATOM 0 HB2 PRO A 98 20.086 22.476 5.659 1.00 13.15 H new ATOM 0 HB3 PRO A 98 18.575 21.923 6.352 1.00 13.15 H new ATOM 0 HG2 PRO A 98 19.864 21.134 3.746 1.00 61.30 H new ATOM 0 HG3 PRO A 98 19.077 20.116 4.936 1.00 61.30 H new ATOM 0 HD2 PRO A 98 17.803 20.896 2.660 1.00 53.23 H new ATOM 0 HD3 PRO A 98 16.927 20.632 4.155 1.00 53.23 H new ATOM 1435 N GLY A 99 19.797 25.277 4.750 1.00 63.33 N ATOM 1436 CA GLY A 99 20.747 26.214 4.181 1.00 32.11 C ATOM 1437 C GLY A 99 22.174 25.920 4.599 1.00 22.53 C ATOM 1438 O GLY A 99 22.898 25.210 3.902 1.00 44.14 O ATOM 0 H GLY A 99 19.548 25.458 5.722 1.00 63.33 H new ATOM 0 HA2 GLY A 99 20.677 26.183 3.094 1.00 32.11 H new ATOM 0 HA3 GLY A 99 20.483 27.226 4.488 1.00 32.11 H new ATOM 1442 N SER A 100 22.580 26.469 5.739 1.00 72.22 N ATOM 1443 CA SER A 100 23.932 26.267 6.247 1.00 41.11 C ATOM 1444 C SER A 100 24.966 26.838 5.281 1.00 52.40 C ATOM 1445 O SER A 100 25.889 26.142 4.860 1.00 64.14 O ATOM 1446 CB SER A 100 24.197 24.777 6.473 1.00 33.02 C ATOM 1447 OG SER A 100 25.220 24.580 7.433 1.00 32.44 O ATOM 0 H SER A 100 21.992 27.058 6.329 1.00 72.22 H new ATOM 0 HA SER A 100 24.019 26.793 7.198 1.00 41.11 H new ATOM 0 HB2 SER A 100 23.282 24.288 6.807 1.00 33.02 H new ATOM 0 HB3 SER A 100 24.483 24.309 5.531 1.00 33.02 H new ATOM 0 HG SER A 100 25.369 23.620 7.560 1.00 32.44 H new ATOM 1452 N GLY A 101 24.803 28.111 4.933 1.00 53.10 N ATOM 1453 CA GLY A 101 25.727 28.755 4.019 1.00 64.44 C ATOM 1454 C GLY A 101 26.543 29.842 4.691 1.00 33.30 C ATOM 1455 O GLY A 101 26.156 31.011 4.684 1.00 14.41 O ATOM 0 H GLY A 101 24.047 28.708 5.268 1.00 53.10 H new ATOM 0 HA2 GLY A 101 26.399 28.007 3.600 1.00 64.44 H new ATOM 0 HA3 GLY A 101 25.170 29.185 3.187 1.00 64.44 H new ATOM 1459 N ALA A 102 27.674 29.458 5.273 1.00 73.40 N ATOM 1460 CA ALA A 102 28.545 30.409 5.952 1.00 30.11 C ATOM 1461 C ALA A 102 29.655 30.894 5.026 1.00 32.14 C ATOM 1462 O ALA A 102 29.887 30.314 3.965 1.00 65.21 O ATOM 1463 CB ALA A 102 29.137 29.781 7.206 1.00 4.14 C ATOM 0 H ALA A 102 28.009 28.495 5.288 1.00 73.40 H new ATOM 0 HA ALA A 102 27.945 31.272 6.240 1.00 30.11 H new ATOM 0 HB1 ALA A 102 29.785 30.503 7.703 1.00 4.14 H new ATOM 0 HB2 ALA A 102 28.333 29.490 7.882 1.00 4.14 H new ATOM 0 HB3 ALA A 102 29.717 28.900 6.932 1.00 4.14 H new ATOM 1469 N GLN A 103 30.336 31.960 5.433 1.00 74.32 N ATOM 1470 CA GLN A 103 31.421 32.523 4.639 1.00 0.23 C ATOM 1471 C GLN A 103 32.759 31.905 5.029 1.00 22.21 C ATOM 1472 O GLN A 103 33.797 32.226 4.448 1.00 10.35 O ATOM 1473 CB GLN A 103 31.476 34.041 4.815 1.00 32.34 C ATOM 1474 CG GLN A 103 32.033 34.775 3.605 1.00 71.21 C ATOM 1475 CD GLN A 103 31.256 34.483 2.337 1.00 41.30 C ATOM 1476 OE1 GLN A 103 30.056 34.745 2.256 1.00 21.53 O ATOM 1477 NE2 GLN A 103 31.938 33.936 1.337 1.00 64.31 N ATOM 0 H GLN A 103 30.155 32.451 6.308 1.00 74.32 H new ATOM 0 HA GLN A 103 31.227 32.293 3.591 1.00 0.23 H new ATOM 0 HB2 GLN A 103 30.472 34.411 5.023 1.00 32.34 H new ATOM 0 HB3 GLN A 103 32.089 34.275 5.685 1.00 32.34 H new ATOM 0 HG2 GLN A 103 32.018 35.848 3.797 1.00 71.21 H new ATOM 0 HG3 GLN A 103 33.076 34.492 3.461 1.00 71.21 H new ATOM 0 HE21 GLN A 103 32.932 33.735 1.447 1.00 64.31 H new ATOM 0 HE22 GLN A 103 31.468 33.717 0.459 1.00 64.31 H new TER 1484 GLN A 103