USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 LYS NZ :NH3+ -153:sc= 1.91 (180deg=0.722) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0.791 USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.039 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00638 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 HIS : no HD1:sc= 0.042 K(o=0.042,f=-1.8!) USER MOD Single : A 20 ASN : amide:sc= 0.757 K(o=0.76,f=-6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A 26 ASN : amide:sc=-0.00897 K(o=-0.009,f=-0.92) USER MOD Single : A 27 SER OG : rot 180:sc= -0.107 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 36 MET CE :methyl 180:sc=-0.00531 (180deg=-0.00531) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -78:sc= 1.29 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 2.04 (180deg=1.75) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 90 ASN : amide:sc= 0.956 K(o=0.96,f=-4.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.559 10.465 25.325 1.00 0.00 N ATOM 2 CA SER A 1 11.887 9.854 24.007 1.00 0.00 C ATOM 3 C SER A 1 11.130 8.541 23.778 1.00 0.00 C ATOM 4 O SER A 1 10.756 7.860 24.736 1.00 0.00 O ATOM 5 CB SER A 1 13.400 9.629 23.858 1.00 0.00 C ATOM 6 OG SER A 1 14.085 10.858 24.065 1.00 0.00 O ATOM 0 H1 SER A 1 12.409 10.917 25.719 1.00 0.00 H new ATOM 0 H2 SER A 1 10.813 11.179 25.201 1.00 0.00 H new ATOM 0 H3 SER A 1 11.225 9.726 25.977 1.00 0.00 H new ATOM 0 HA SER A 1 11.564 10.562 23.244 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.740 8.885 24.578 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.624 9.238 22.866 1.00 0.00 H new ATOM 0 HG SER A 1 15.050 10.714 23.972 1.00 0.00 H new ATOM 14 N VAL A 2 10.907 8.165 22.508 1.00 0.00 N ATOM 15 CA VAL A 2 10.243 6.907 22.083 1.00 0.00 C ATOM 16 C VAL A 2 11.042 6.174 20.992 1.00 0.00 C ATOM 17 O VAL A 2 11.843 6.783 20.279 1.00 0.00 O ATOM 18 CB VAL A 2 8.789 7.145 21.616 1.00 0.00 C ATOM 19 CG1 VAL A 2 7.894 7.628 22.764 1.00 0.00 C ATOM 20 CG2 VAL A 2 8.671 8.142 20.453 1.00 0.00 C ATOM 0 H VAL A 2 11.191 8.743 21.717 1.00 0.00 H new ATOM 0 HA VAL A 2 10.211 6.268 22.966 1.00 0.00 H new ATOM 0 HB VAL A 2 8.452 6.171 21.263 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.880 7.784 22.394 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.881 6.878 23.555 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.284 8.566 23.159 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.623 8.259 20.179 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.076 9.107 20.758 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.231 7.769 19.595 1.00 0.00 H new ATOM 30 N SER A 3 10.819 4.864 20.854 1.00 0.00 N ATOM 31 CA SER A 3 11.413 4.025 19.801 1.00 0.00 C ATOM 32 C SER A 3 10.768 4.247 18.420 1.00 0.00 C ATOM 33 O SER A 3 9.638 4.737 18.303 1.00 0.00 O ATOM 34 CB SER A 3 11.355 2.544 20.208 1.00 0.00 C ATOM 35 OG SER A 3 10.017 2.138 20.473 1.00 0.00 O ATOM 0 H SER A 3 10.208 4.343 21.483 1.00 0.00 H new ATOM 0 HA SER A 3 12.455 4.327 19.699 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.774 1.928 19.412 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.970 2.383 21.094 1.00 0.00 H new ATOM 0 HG SER A 3 10.007 1.192 20.728 1.00 0.00 H new ATOM 41 N ILE A 4 11.506 3.902 17.357 1.00 0.00 N ATOM 42 CA ILE A 4 11.099 4.147 15.963 1.00 0.00 C ATOM 43 C ILE A 4 10.182 3.022 15.455 1.00 0.00 C ATOM 44 O ILE A 4 10.487 1.838 15.626 1.00 0.00 O ATOM 45 CB ILE A 4 12.334 4.356 15.052 1.00 0.00 C ATOM 46 CG1 ILE A 4 13.357 5.374 15.617 1.00 0.00 C ATOM 47 CG2 ILE A 4 11.904 4.783 13.636 1.00 0.00 C ATOM 48 CD1 ILE A 4 12.792 6.742 16.026 1.00 0.00 C ATOM 0 H ILE A 4 12.412 3.440 17.439 1.00 0.00 H new ATOM 0 HA ILE A 4 10.521 5.071 15.929 1.00 0.00 H new ATOM 0 HB ILE A 4 12.837 3.390 15.012 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.840 4.928 16.486 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.133 5.533 14.868 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.788 4.924 13.014 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.272 4.010 13.199 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.347 5.718 13.691 1.00 0.00 H new ATOM 0 HD11 ILE A 4 13.598 7.370 16.406 1.00 0.00 H new ATOM 0 HD12 ILE A 4 12.337 7.221 15.159 1.00 0.00 H new ATOM 0 HD13 ILE A 4 12.040 6.607 16.803 1.00 0.00 H new ATOM 60 N LEU A 5 9.073 3.396 14.806 1.00 0.00 N ATOM 61 CA LEU A 5 8.089 2.493 14.190 1.00 0.00 C ATOM 62 C LEU A 5 7.725 2.966 12.768 1.00 0.00 C ATOM 63 O LEU A 5 7.727 4.168 12.488 1.00 0.00 O ATOM 64 CB LEU A 5 6.827 2.414 15.079 1.00 0.00 C ATOM 65 CG LEU A 5 7.033 1.776 16.469 1.00 0.00 C ATOM 66 CD1 LEU A 5 5.752 1.919 17.293 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.371 0.285 16.384 1.00 0.00 C ATOM 0 H LEU A 5 8.825 4.378 14.690 1.00 0.00 H new ATOM 0 HA LEU A 5 8.528 1.499 14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.436 3.422 15.216 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.064 1.846 14.547 1.00 0.00 H new ATOM 0 HG LEU A 5 7.870 2.297 16.935 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.898 1.468 18.274 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.512 2.976 17.411 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.932 1.415 16.781 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.506 -0.115 17.389 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.557 -0.245 15.889 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.291 0.152 15.814 1.00 0.00 H new ATOM 79 N ARG A 6 7.403 2.018 11.876 1.00 0.00 N ATOM 80 CA ARG A 6 7.053 2.257 10.458 1.00 0.00 C ATOM 81 C ARG A 6 5.855 1.406 10.015 1.00 0.00 C ATOM 82 O ARG A 6 5.732 0.245 10.415 1.00 0.00 O ATOM 83 CB ARG A 6 8.273 1.959 9.559 1.00 0.00 C ATOM 84 CG ARG A 6 9.413 2.975 9.728 1.00 0.00 C ATOM 85 CD ARG A 6 10.607 2.611 8.838 1.00 0.00 C ATOM 86 NE ARG A 6 11.670 3.634 8.931 1.00 0.00 N ATOM 87 CZ ARG A 6 12.937 3.508 8.571 1.00 0.00 C ATOM 88 NH1 ARG A 6 13.405 2.409 8.048 1.00 0.00 N ATOM 89 NH2 ARG A 6 13.764 4.504 8.725 1.00 0.00 N ATOM 0 H ARG A 6 7.377 1.029 12.125 1.00 0.00 H new ATOM 0 HA ARG A 6 6.770 3.305 10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.648 0.961 9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.954 1.950 8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.056 3.973 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.728 3.004 10.771 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.004 1.641 9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.278 2.517 7.803 1.00 0.00 H new ATOM 0 HE ARG A 6 11.396 4.538 9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.788 1.610 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.388 2.349 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.435 5.383 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.740 4.404 8.447 1.00 0.00 H new ATOM 103 N SER A 7 5.008 1.967 9.150 1.00 0.00 N ATOM 104 CA SER A 7 3.857 1.286 8.524 1.00 0.00 C ATOM 105 C SER A 7 4.165 0.691 7.137 1.00 0.00 C ATOM 106 O SER A 7 3.443 -0.192 6.672 1.00 0.00 O ATOM 107 CB SER A 7 2.683 2.270 8.424 1.00 0.00 C ATOM 108 OG SER A 7 3.058 3.425 7.684 1.00 0.00 O ATOM 0 H SER A 7 5.101 2.938 8.852 1.00 0.00 H new ATOM 0 HA SER A 7 3.604 0.441 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.834 1.784 7.943 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.360 2.561 9.423 1.00 0.00 H new ATOM 0 HG SER A 7 2.297 4.040 7.629 1.00 0.00 H new ATOM 114 N SER A 8 5.242 1.148 6.485 1.00 0.00 N ATOM 115 CA SER A 8 5.704 0.704 5.161 1.00 0.00 C ATOM 116 C SER A 8 7.225 0.872 5.017 1.00 0.00 C ATOM 117 O SER A 8 7.852 1.608 5.784 1.00 0.00 O ATOM 118 CB SER A 8 4.968 1.502 4.071 1.00 0.00 C ATOM 119 OG SER A 8 5.328 1.057 2.769 1.00 0.00 O ATOM 0 H SER A 8 5.843 1.870 6.883 1.00 0.00 H new ATOM 0 HA SER A 8 5.479 -0.357 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.891 1.399 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.203 2.562 4.173 1.00 0.00 H new ATOM 0 HG SER A 8 4.843 1.582 2.098 1.00 0.00 H new ATOM 125 N VAL A 9 7.814 0.208 4.014 1.00 0.00 N ATOM 126 CA VAL A 9 9.239 0.303 3.629 1.00 0.00 C ATOM 127 C VAL A 9 9.444 0.842 2.200 1.00 0.00 C ATOM 128 O VAL A 9 10.578 1.068 1.784 1.00 0.00 O ATOM 129 CB VAL A 9 9.930 -1.055 3.897 1.00 0.00 C ATOM 130 CG1 VAL A 9 9.530 -2.142 2.892 1.00 0.00 C ATOM 131 CG2 VAL A 9 11.459 -0.964 3.957 1.00 0.00 C ATOM 0 H VAL A 9 7.294 -0.438 3.420 1.00 0.00 H new ATOM 0 HA VAL A 9 9.725 1.052 4.254 1.00 0.00 H new ATOM 0 HB VAL A 9 9.567 -1.341 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.048 -3.070 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.453 -2.304 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.804 -1.825 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.875 -1.953 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.839 -0.588 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.752 -0.286 4.759 1.00 0.00 H new ATOM 141 N ASN A 10 8.373 1.114 1.440 1.00 0.00 N ATOM 142 CA ASN A 10 8.454 1.498 0.016 1.00 0.00 C ATOM 143 C ASN A 10 9.249 2.805 -0.229 1.00 0.00 C ATOM 144 O ASN A 10 9.894 2.967 -1.265 1.00 0.00 O ATOM 145 CB ASN A 10 7.014 1.589 -0.521 1.00 0.00 C ATOM 146 CG ASN A 10 6.965 1.889 -2.015 1.00 0.00 C ATOM 147 OD1 ASN A 10 7.308 1.061 -2.848 1.00 0.00 O ATOM 148 ND2 ASN A 10 6.545 3.073 -2.406 1.00 0.00 N ATOM 0 H ASN A 10 7.418 1.074 1.795 1.00 0.00 H new ATOM 0 HA ASN A 10 9.018 0.738 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.497 0.650 -0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.476 2.368 0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.506 3.298 -3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.258 3.766 -1.715 1.00 0.00 H new ATOM 155 N HIS A 11 9.257 3.717 0.750 1.00 0.00 N ATOM 156 CA HIS A 11 10.036 4.970 0.732 1.00 0.00 C ATOM 157 C HIS A 11 11.563 4.758 0.776 1.00 0.00 C ATOM 158 O HIS A 11 12.300 5.624 0.302 1.00 0.00 O ATOM 159 CB HIS A 11 9.573 5.861 1.898 1.00 0.00 C ATOM 160 CG HIS A 11 9.700 5.194 3.250 1.00 0.00 C ATOM 161 ND1 HIS A 11 10.883 5.057 3.985 1.00 0.00 N ATOM 162 CD2 HIS A 11 8.702 4.522 3.894 1.00 0.00 C ATOM 163 CE1 HIS A 11 10.570 4.304 5.053 1.00 0.00 C ATOM 164 NE2 HIS A 11 9.269 3.966 5.019 1.00 0.00 N ATOM 0 H HIS A 11 8.708 3.605 1.602 1.00 0.00 H new ATOM 0 HA HIS A 11 9.843 5.458 -0.223 1.00 0.00 H new ATOM 0 HB2 HIS A 11 10.159 6.780 1.898 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.533 6.146 1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.671 4.442 3.583 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.264 4.012 5.828 1.00 0.00 H new ATOM 0 HE2 HIS A 11 8.784 3.394 5.710 1.00 0.00 H new ATOM 172 N ARG A 12 12.046 3.602 1.260 1.00 0.00 N ATOM 173 CA ARG A 12 13.485 3.290 1.369 1.00 0.00 C ATOM 174 C ARG A 12 14.193 3.349 0.018 1.00 0.00 C ATOM 175 O ARG A 12 15.281 3.898 -0.089 1.00 0.00 O ATOM 176 CB ARG A 12 13.656 1.885 1.973 1.00 0.00 C ATOM 177 CG ARG A 12 15.074 1.650 2.528 1.00 0.00 C ATOM 178 CD ARG A 12 15.454 0.161 2.541 1.00 0.00 C ATOM 179 NE ARG A 12 15.666 -0.357 1.172 1.00 0.00 N ATOM 180 CZ ARG A 12 16.699 -0.119 0.377 1.00 0.00 C ATOM 181 NH1 ARG A 12 17.751 0.535 0.772 1.00 0.00 N ATOM 182 NH2 ARG A 12 16.699 -0.518 -0.857 1.00 0.00 N ATOM 0 H ARG A 12 11.444 2.848 1.591 1.00 0.00 H new ATOM 0 HA ARG A 12 13.939 4.043 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.929 1.746 2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.439 1.137 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.794 2.202 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.136 2.048 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.361 0.021 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.666 -0.412 3.030 1.00 0.00 H new ATOM 0 HE ARG A 12 14.937 -0.964 0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.803 0.887 1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.524 0.696 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.895 -1.024 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.503 -0.326 -1.455 1.00 0.00 H new ATOM 196 N GLU A 13 13.555 2.816 -1.024 1.00 0.00 N ATOM 197 CA GLU A 13 14.098 2.806 -2.390 1.00 0.00 C ATOM 198 C GLU A 13 14.143 4.212 -3.011 1.00 0.00 C ATOM 199 O GLU A 13 15.072 4.520 -3.756 1.00 0.00 O ATOM 200 CB GLU A 13 13.255 1.851 -3.252 1.00 0.00 C ATOM 201 CG GLU A 13 13.495 0.380 -2.894 1.00 0.00 C ATOM 202 CD GLU A 13 12.659 -0.554 -3.792 1.00 0.00 C ATOM 203 OE1 GLU A 13 13.093 -0.859 -4.930 1.00 0.00 O ATOM 204 OE2 GLU A 13 11.569 -1.006 -3.359 1.00 0.00 O ATOM 0 H GLU A 13 12.639 2.374 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 13 15.130 2.457 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.198 2.086 -3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.492 2.010 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.553 0.144 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.238 0.210 -1.848 1.00 0.00 H new ATOM 211 N VAL A 14 13.197 5.091 -2.656 1.00 0.00 N ATOM 212 CA VAL A 14 13.196 6.500 -3.097 1.00 0.00 C ATOM 213 C VAL A 14 14.314 7.283 -2.404 1.00 0.00 C ATOM 214 O VAL A 14 15.068 7.993 -3.065 1.00 0.00 O ATOM 215 CB VAL A 14 11.827 7.175 -2.864 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.793 8.588 -3.461 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.674 6.383 -3.493 1.00 0.00 C ATOM 0 H VAL A 14 12.409 4.850 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 14 13.381 6.507 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 14 11.699 7.212 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.816 9.036 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.565 9.199 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.974 8.534 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.732 6.898 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.832 6.302 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.637 5.385 -3.056 1.00 0.00 H new ATOM 227 N ASP A 15 14.476 7.116 -1.088 1.00 0.00 N ATOM 228 CA ASP A 15 15.576 7.733 -0.336 1.00 0.00 C ATOM 229 C ASP A 15 16.952 7.208 -0.779 1.00 0.00 C ATOM 230 O ASP A 15 17.882 7.990 -0.967 1.00 0.00 O ATOM 231 CB ASP A 15 15.371 7.488 1.160 1.00 0.00 C ATOM 232 CG ASP A 15 16.494 8.138 1.982 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.618 9.385 1.935 1.00 0.00 O ATOM 234 OD2 ASP A 15 17.221 7.413 2.702 1.00 0.00 O ATOM 0 H ASP A 15 13.850 6.551 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 15 15.563 8.803 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.407 7.893 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.345 6.416 1.357 1.00 0.00 H new ATOM 239 N GLU A 16 17.075 5.901 -1.020 1.00 0.00 N ATOM 240 CA GLU A 16 18.287 5.287 -1.569 1.00 0.00 C ATOM 241 C GLU A 16 18.621 5.832 -2.967 1.00 0.00 C ATOM 242 O GLU A 16 19.780 6.147 -3.233 1.00 0.00 O ATOM 243 CB GLU A 16 18.110 3.760 -1.593 1.00 0.00 C ATOM 244 CG GLU A 16 19.275 3.029 -2.270 1.00 0.00 C ATOM 245 CD GLU A 16 19.170 1.519 -1.990 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.381 0.809 -2.656 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.798 1.029 -1.022 1.00 0.00 O ATOM 0 H GLU A 16 16.328 5.231 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 16 19.131 5.543 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.006 3.396 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.184 3.516 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.257 3.212 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.224 3.413 -1.897 1.00 0.00 H new ATOM 254 N ALA A 17 17.629 5.999 -3.847 1.00 0.00 N ATOM 255 CA ALA A 17 17.851 6.575 -5.168 1.00 0.00 C ATOM 256 C ALA A 17 18.243 8.067 -5.097 1.00 0.00 C ATOM 257 O ALA A 17 19.172 8.485 -5.792 1.00 0.00 O ATOM 258 CB ALA A 17 16.606 6.335 -6.022 1.00 0.00 C ATOM 0 H ALA A 17 16.660 5.740 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 17 18.702 6.081 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.758 6.761 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.427 5.264 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.745 6.809 -5.551 1.00 0.00 H new ATOM 264 N ILE A 18 17.614 8.852 -4.208 1.00 0.00 N ATOM 265 CA ILE A 18 18.021 10.237 -3.914 1.00 0.00 C ATOM 266 C ILE A 18 19.475 10.269 -3.418 1.00 0.00 C ATOM 267 O ILE A 18 20.274 11.029 -3.956 1.00 0.00 O ATOM 268 CB ILE A 18 17.048 10.902 -2.901 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.722 11.254 -3.613 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.643 12.174 -2.258 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.582 11.681 -2.681 1.00 0.00 C ATOM 0 H ILE A 18 16.805 8.543 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 18 17.969 10.820 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 18 16.871 10.184 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.911 12.058 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.395 10.389 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.923 12.599 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.559 11.918 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.868 12.904 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.694 11.907 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.358 10.872 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.882 12.568 -2.122 1.00 0.00 H new ATOM 283 N ASP A 19 19.849 9.425 -2.456 1.00 0.00 N ATOM 284 CA ASP A 19 21.198 9.404 -1.884 1.00 0.00 C ATOM 285 C ASP A 19 22.266 8.890 -2.869 1.00 0.00 C ATOM 286 O ASP A 19 23.379 9.413 -2.894 1.00 0.00 O ATOM 287 CB ASP A 19 21.167 8.565 -0.602 1.00 0.00 C ATOM 288 CG ASP A 19 22.507 8.616 0.141 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.872 9.685 0.679 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.202 7.573 0.179 1.00 0.00 O ATOM 0 H ASP A 19 19.221 8.732 -2.048 1.00 0.00 H new ATOM 0 HA ASP A 19 21.491 10.429 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.374 8.928 0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.927 7.531 -0.849 1.00 0.00 H new ATOM 295 N ASN A 20 21.921 7.929 -3.736 1.00 0.00 N ATOM 296 CA ASN A 20 22.767 7.515 -4.858 1.00 0.00 C ATOM 297 C ASN A 20 23.025 8.693 -5.810 1.00 0.00 C ATOM 298 O ASN A 20 24.180 9.018 -6.064 1.00 0.00 O ATOM 299 CB ASN A 20 22.118 6.330 -5.601 1.00 0.00 C ATOM 300 CG ASN A 20 22.296 4.975 -4.928 1.00 0.00 C ATOM 301 OD1 ASN A 20 23.074 4.790 -4.001 1.00 0.00 O ATOM 302 ND2 ASN A 20 21.611 3.962 -5.406 1.00 0.00 N ATOM 0 H ASN A 20 21.042 7.415 -3.676 1.00 0.00 H new ATOM 0 HA ASN A 20 23.731 7.189 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.052 6.528 -5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 20 22.536 6.278 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.730 3.032 -5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.960 4.105 -6.178 1.00 0.00 H new ATOM 309 N ILE A 21 21.976 9.392 -6.266 1.00 0.00 N ATOM 310 CA ILE A 21 22.117 10.580 -7.128 1.00 0.00 C ATOM 311 C ILE A 21 22.939 11.674 -6.433 1.00 0.00 C ATOM 312 O ILE A 21 23.843 12.247 -7.042 1.00 0.00 O ATOM 313 CB ILE A 21 20.723 11.091 -7.566 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.130 10.137 -8.626 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.815 12.527 -8.117 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.621 10.321 -8.844 1.00 0.00 C ATOM 0 H ILE A 21 21.008 9.153 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 21 22.666 10.297 -8.027 1.00 0.00 H new ATOM 0 HB ILE A 21 20.065 11.109 -6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.647 10.293 -9.573 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.322 9.107 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.824 12.865 -8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.205 13.189 -7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.482 12.544 -8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.274 9.618 -9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.093 10.136 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.423 11.340 -9.177 1.00 0.00 H new ATOM 328 N LEU A 22 22.669 11.934 -5.155 1.00 0.00 N ATOM 329 CA LEU A 22 23.369 12.925 -4.341 1.00 0.00 C ATOM 330 C LEU A 22 24.884 12.665 -4.285 1.00 0.00 C ATOM 331 O LEU A 22 25.680 13.583 -4.488 1.00 0.00 O ATOM 332 CB LEU A 22 22.725 12.867 -2.944 1.00 0.00 C ATOM 333 CG LEU A 22 23.216 13.933 -1.965 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.700 15.310 -2.380 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.694 13.625 -0.562 1.00 0.00 C ATOM 0 H LEU A 22 21.935 11.446 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 22 23.271 13.920 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.645 12.965 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.914 11.884 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 22 24.306 13.931 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.057 16.060 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.064 15.549 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.610 15.304 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.046 14.387 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.604 13.619 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.059 12.648 -0.244 1.00 0.00 H new ATOM 347 N ARG A 23 25.280 11.402 -4.076 1.00 0.00 N ATOM 348 CA ARG A 23 26.691 10.980 -4.067 1.00 0.00 C ATOM 349 C ARG A 23 27.319 10.950 -5.466 1.00 0.00 C ATOM 350 O ARG A 23 28.436 11.434 -5.620 1.00 0.00 O ATOM 351 CB ARG A 23 26.810 9.623 -3.357 1.00 0.00 C ATOM 352 CG ARG A 23 26.747 9.775 -1.829 1.00 0.00 C ATOM 353 CD ARG A 23 26.922 8.433 -1.101 1.00 0.00 C ATOM 354 NE ARG A 23 25.703 7.608 -1.166 1.00 0.00 N ATOM 355 CZ ARG A 23 25.403 6.611 -1.973 1.00 0.00 C ATOM 356 NH1 ARG A 23 26.194 6.157 -2.903 1.00 0.00 N ATOM 357 NH2 ARG A 23 24.247 6.053 -1.823 1.00 0.00 N ATOM 0 H ARG A 23 24.627 10.637 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 23 27.262 11.727 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.007 8.966 -3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.749 9.147 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.524 10.467 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.790 10.215 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.754 7.886 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.180 8.617 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 23 24.983 7.844 -0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.112 6.578 -3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 23 25.895 5.380 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.609 6.388 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 23 23.973 5.277 -2.426 1.00 0.00 H new ATOM 371 N TYR A 24 26.611 10.472 -6.496 1.00 0.00 N ATOM 372 CA TYR A 24 27.113 10.462 -7.883 1.00 0.00 C ATOM 373 C TYR A 24 27.342 11.879 -8.439 1.00 0.00 C ATOM 374 O TYR A 24 28.315 12.118 -9.154 1.00 0.00 O ATOM 375 CB TYR A 24 26.141 9.706 -8.804 1.00 0.00 C ATOM 376 CG TYR A 24 25.830 8.247 -8.491 1.00 0.00 C ATOM 377 CD1 TYR A 24 26.695 7.442 -7.717 1.00 0.00 C ATOM 378 CD2 TYR A 24 24.645 7.686 -9.007 1.00 0.00 C ATOM 379 CE1 TYR A 24 26.363 6.102 -7.439 1.00 0.00 C ATOM 380 CE2 TYR A 24 24.315 6.342 -8.742 1.00 0.00 C ATOM 381 CZ TYR A 24 25.166 5.549 -7.944 1.00 0.00 C ATOM 382 OH TYR A 24 24.834 4.255 -7.677 1.00 0.00 O ATOM 0 H TYR A 24 25.674 10.081 -6.396 1.00 0.00 H new ATOM 0 HA TYR A 24 28.076 9.952 -7.860 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.198 10.252 -8.811 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.542 9.750 -9.817 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.617 7.857 -7.336 1.00 0.00 H new ATOM 0 HD2 TYR A 24 23.984 8.291 -9.610 1.00 0.00 H new ATOM 0 HE1 TYR A 24 27.025 5.496 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 24 23.409 5.918 -9.150 1.00 0.00 H new ATOM 0 HH TYR A 24 23.977 4.043 -8.103 1.00 0.00 H new ATOM 392 N THR A 25 26.480 12.836 -8.074 1.00 0.00 N ATOM 393 CA THR A 25 26.645 14.265 -8.422 1.00 0.00 C ATOM 394 C THR A 25 27.594 15.027 -7.481 1.00 0.00 C ATOM 395 O THR A 25 27.953 16.166 -7.782 1.00 0.00 O ATOM 396 CB THR A 25 25.292 14.992 -8.465 1.00 0.00 C ATOM 397 OG1 THR A 25 24.624 14.895 -7.231 1.00 0.00 O ATOM 398 CG2 THR A 25 24.353 14.470 -9.554 1.00 0.00 C ATOM 0 H THR A 25 25.641 12.646 -7.525 1.00 0.00 H new ATOM 0 HA THR A 25 27.099 14.261 -9.413 1.00 0.00 H new ATOM 0 HB THR A 25 25.537 16.030 -8.692 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.260 13.991 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.417 15.029 -9.526 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.822 14.596 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.150 13.413 -9.383 1.00 0.00 H new ATOM 406 N ASN A 26 28.007 14.412 -6.360 1.00 0.00 N ATOM 407 CA ASN A 26 28.786 15.040 -5.285 1.00 0.00 C ATOM 408 C ASN A 26 28.161 16.376 -4.810 1.00 0.00 C ATOM 409 O ASN A 26 28.834 17.405 -4.700 1.00 0.00 O ATOM 410 CB ASN A 26 30.274 15.109 -5.687 1.00 0.00 C ATOM 411 CG ASN A 26 31.202 15.432 -4.523 1.00 0.00 C ATOM 412 OD1 ASN A 26 30.853 15.340 -3.353 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.436 15.790 -4.806 1.00 0.00 N ATOM 0 H ASN A 26 27.800 13.431 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 26 28.746 14.416 -4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.569 14.155 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.398 15.866 -6.462 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.095 15.989 -4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.734 15.869 -5.778 1.00 0.00 H new ATOM 420 N SER A 27 26.840 16.349 -4.598 1.00 0.00 N ATOM 421 CA SER A 27 26.009 17.540 -4.354 1.00 0.00 C ATOM 422 C SER A 27 25.400 17.568 -2.939 1.00 0.00 C ATOM 423 O SER A 27 25.552 16.630 -2.153 1.00 0.00 O ATOM 424 CB SER A 27 24.928 17.602 -5.442 1.00 0.00 C ATOM 425 OG SER A 27 24.300 18.875 -5.437 1.00 0.00 O ATOM 0 H SER A 27 26.305 15.481 -4.591 1.00 0.00 H new ATOM 0 HA SER A 27 26.641 18.426 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 27 25.373 17.412 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.186 16.822 -5.273 1.00 0.00 H new ATOM 0 HG SER A 27 23.613 18.904 -6.136 1.00 0.00 H new ATOM 431 N THR A 28 24.695 18.660 -2.629 1.00 0.00 N ATOM 432 CA THR A 28 23.829 18.800 -1.441 1.00 0.00 C ATOM 433 C THR A 28 22.358 18.863 -1.861 1.00 0.00 C ATOM 434 O THR A 28 22.031 19.335 -2.951 1.00 0.00 O ATOM 435 CB THR A 28 24.258 19.975 -0.546 1.00 0.00 C ATOM 436 OG1 THR A 28 23.465 19.969 0.619 1.00 0.00 O ATOM 437 CG2 THR A 28 24.104 21.350 -1.199 1.00 0.00 C ATOM 0 H THR A 28 24.707 19.498 -3.210 1.00 0.00 H new ATOM 0 HA THR A 28 23.948 17.912 -0.820 1.00 0.00 H new ATOM 0 HB THR A 28 25.318 19.828 -0.341 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.730 20.713 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.428 22.122 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 28 24.715 21.395 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.059 21.513 -1.461 1.00 0.00 H new ATOM 445 N GLU A 29 21.438 18.396 -1.011 1.00 0.00 N ATOM 446 CA GLU A 29 20.024 18.201 -1.384 1.00 0.00 C ATOM 447 C GLU A 29 19.313 19.520 -1.732 1.00 0.00 C ATOM 448 O GLU A 29 18.432 19.532 -2.589 1.00 0.00 O ATOM 449 CB GLU A 29 19.294 17.423 -0.269 1.00 0.00 C ATOM 450 CG GLU A 29 19.816 15.981 -0.160 1.00 0.00 C ATOM 451 CD GLU A 29 19.177 15.212 1.012 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.448 15.565 2.184 1.00 0.00 O ATOM 453 OE2 GLU A 29 18.425 14.235 0.766 1.00 0.00 O ATOM 0 H GLU A 29 21.647 18.141 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 29 19.996 17.608 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.431 17.935 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.223 17.410 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.613 15.453 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 29 20.898 15.998 -0.033 1.00 0.00 H new ATOM 460 N GLN A 30 19.751 20.652 -1.166 1.00 0.00 N ATOM 461 CA GLN A 30 19.263 21.987 -1.553 1.00 0.00 C ATOM 462 C GLN A 30 19.653 22.354 -2.997 1.00 0.00 C ATOM 463 O GLN A 30 18.815 22.841 -3.754 1.00 0.00 O ATOM 464 CB GLN A 30 19.797 23.041 -0.568 1.00 0.00 C ATOM 465 CG GLN A 30 19.274 22.854 0.870 1.00 0.00 C ATOM 466 CD GLN A 30 19.774 23.918 1.850 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.513 24.839 1.520 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.389 23.838 3.108 1.00 0.00 N ATOM 0 H GLN A 30 20.454 20.671 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 30 18.174 21.967 -1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.886 23.000 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.518 24.033 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.184 22.869 0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.574 21.870 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.774 23.081 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.706 24.534 3.783 1.00 0.00 H new ATOM 477 N GLN A 31 20.894 22.064 -3.417 1.00 0.00 N ATOM 478 CA GLN A 31 21.338 22.292 -4.803 1.00 0.00 C ATOM 479 C GLN A 31 20.711 21.289 -5.782 1.00 0.00 C ATOM 480 O GLN A 31 20.372 21.661 -6.902 1.00 0.00 O ATOM 481 CB GLN A 31 22.875 22.278 -4.898 1.00 0.00 C ATOM 482 CG GLN A 31 23.501 23.516 -4.231 1.00 0.00 C ATOM 483 CD GLN A 31 25.002 23.615 -4.506 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.840 23.207 -3.713 1.00 0.00 O ATOM 485 NE2 GLN A 31 25.400 24.149 -5.646 1.00 0.00 N ATOM 0 H GLN A 31 21.614 21.668 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 31 20.989 23.282 -5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.260 21.376 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.174 22.239 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.005 24.415 -4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.331 23.473 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 31 24.712 24.493 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 31 26.396 24.218 -5.857 1.00 0.00 H new ATOM 494 N PHE A 32 20.470 20.046 -5.353 1.00 0.00 N ATOM 495 CA PHE A 32 19.705 19.070 -6.143 1.00 0.00 C ATOM 496 C PHE A 32 18.251 19.545 -6.354 1.00 0.00 C ATOM 497 O PHE A 32 17.766 19.528 -7.481 1.00 0.00 O ATOM 498 CB PHE A 32 19.812 17.697 -5.454 1.00 0.00 C ATOM 499 CG PHE A 32 19.173 16.487 -6.127 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.774 16.487 -7.483 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.996 15.318 -5.361 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.162 15.350 -8.042 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.393 14.178 -5.924 1.00 0.00 C ATOM 504 CZ PHE A 32 17.961 14.202 -7.261 1.00 0.00 C ATOM 0 H PHE A 32 20.796 19.688 -4.455 1.00 0.00 H new ATOM 0 HA PHE A 32 20.121 18.976 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.871 17.478 -5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.375 17.791 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.940 17.363 -8.092 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.326 15.297 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.846 15.361 -9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.262 13.286 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.474 13.337 -7.687 1.00 0.00 H new ATOM 514 N LEU A 33 17.582 20.068 -5.316 1.00 0.00 N ATOM 515 CA LEU A 33 16.231 20.646 -5.448 1.00 0.00 C ATOM 516 C LEU A 33 16.228 21.863 -6.380 1.00 0.00 C ATOM 517 O LEU A 33 15.379 21.956 -7.263 1.00 0.00 O ATOM 518 CB LEU A 33 15.676 20.952 -4.039 1.00 0.00 C ATOM 519 CG LEU A 33 14.204 21.420 -3.906 1.00 0.00 C ATOM 520 CD1 LEU A 33 13.983 22.879 -4.302 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.222 20.539 -4.685 1.00 0.00 C ATOM 0 H LEU A 33 17.956 20.104 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 33 15.565 19.925 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.793 20.052 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.309 21.720 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 33 13.999 21.323 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.930 23.133 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.586 23.525 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.275 23.022 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.209 20.918 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.480 20.556 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.278 19.516 -4.314 1.00 0.00 H new ATOM 533 N GLU A 34 17.210 22.752 -6.249 1.00 0.00 N ATOM 534 CA GLU A 34 17.369 23.914 -7.139 1.00 0.00 C ATOM 535 C GLU A 34 17.588 23.511 -8.608 1.00 0.00 C ATOM 536 O GLU A 34 16.982 24.091 -9.508 1.00 0.00 O ATOM 537 CB GLU A 34 18.513 24.798 -6.615 1.00 0.00 C ATOM 538 CG GLU A 34 18.663 26.107 -7.396 1.00 0.00 C ATOM 539 CD GLU A 34 19.738 27.004 -6.760 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.945 26.804 -7.041 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.387 27.923 -5.977 1.00 0.00 O ATOM 0 H GLU A 34 17.923 22.692 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 34 16.439 24.483 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.336 25.027 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.448 24.241 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.930 25.890 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.709 26.634 -7.417 1.00 0.00 H new ATOM 548 N ALA A 35 18.391 22.475 -8.856 1.00 0.00 N ATOM 549 CA ALA A 35 18.603 21.924 -10.196 1.00 0.00 C ATOM 550 C ALA A 35 17.328 21.281 -10.768 1.00 0.00 C ATOM 551 O ALA A 35 17.011 21.489 -11.936 1.00 0.00 O ATOM 552 CB ALA A 35 19.772 20.933 -10.141 1.00 0.00 C ATOM 0 H ALA A 35 18.916 21.991 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 35 18.852 22.736 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.941 20.514 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.672 21.450 -9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.535 20.129 -9.444 1.00 0.00 H new ATOM 558 N MET A 36 16.554 20.558 -9.955 1.00 0.00 N ATOM 559 CA MET A 36 15.246 20.025 -10.359 1.00 0.00 C ATOM 560 C MET A 36 14.247 21.149 -10.678 1.00 0.00 C ATOM 561 O MET A 36 13.600 21.101 -11.720 1.00 0.00 O ATOM 562 CB MET A 36 14.698 19.095 -9.264 1.00 0.00 C ATOM 563 CG MET A 36 15.498 17.794 -9.129 1.00 0.00 C ATOM 564 SD MET A 36 15.248 16.603 -10.469 1.00 0.00 S ATOM 565 CE MET A 36 13.679 15.848 -9.975 1.00 0.00 C ATOM 0 H MET A 36 16.815 20.324 -8.997 1.00 0.00 H new ATOM 0 HA MET A 36 15.382 19.450 -11.275 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.707 19.621 -8.310 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.658 18.855 -9.486 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.558 18.041 -9.075 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.233 17.318 -8.185 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.393 15.091 -10.706 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.792 15.383 -8.996 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.906 16.615 -9.926 1.00 0.00 H new ATOM 575 N GLU A 37 14.167 22.195 -9.856 1.00 0.00 N ATOM 576 CA GLU A 37 13.306 23.358 -10.114 1.00 0.00 C ATOM 577 C GLU A 37 13.715 24.104 -11.401 1.00 0.00 C ATOM 578 O GLU A 37 12.859 24.471 -12.209 1.00 0.00 O ATOM 579 CB GLU A 37 13.337 24.279 -8.882 1.00 0.00 C ATOM 580 CG GLU A 37 12.361 25.455 -9.003 1.00 0.00 C ATOM 581 CD GLU A 37 12.351 26.293 -7.709 1.00 0.00 C ATOM 582 OE1 GLU A 37 13.217 27.186 -7.549 1.00 0.00 O ATOM 583 OE2 GLU A 37 11.462 26.071 -6.847 1.00 0.00 O ATOM 0 H GLU A 37 14.698 22.264 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 37 12.284 23.017 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.093 23.699 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.348 24.663 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.645 26.084 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.358 25.081 -9.207 1.00 0.00 H new ATOM 590 N SER A 38 15.024 24.266 -11.632 1.00 0.00 N ATOM 591 CA SER A 38 15.575 24.891 -12.845 1.00 0.00 C ATOM 592 C SER A 38 15.324 24.070 -14.125 1.00 0.00 C ATOM 593 O SER A 38 15.150 24.641 -15.204 1.00 0.00 O ATOM 594 CB SER A 38 17.082 25.108 -12.644 1.00 0.00 C ATOM 595 OG SER A 38 17.633 25.872 -13.706 1.00 0.00 O ATOM 0 H SER A 38 15.742 23.963 -10.973 1.00 0.00 H new ATOM 0 HA SER A 38 15.059 25.840 -12.990 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.256 25.618 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.587 24.144 -12.585 1.00 0.00 H new ATOM 0 HG SER A 38 18.593 25.998 -13.555 1.00 0.00 H new ATOM 601 N THR A 39 15.253 22.738 -14.009 1.00 0.00 N ATOM 602 CA THR A 39 15.075 21.807 -15.148 1.00 0.00 C ATOM 603 C THR A 39 13.643 21.273 -15.308 1.00 0.00 C ATOM 604 O THR A 39 13.392 20.429 -16.170 1.00 0.00 O ATOM 605 CB THR A 39 16.093 20.655 -15.098 1.00 0.00 C ATOM 606 OG1 THR A 39 15.966 19.932 -13.902 1.00 0.00 O ATOM 607 CG2 THR A 39 17.537 21.150 -15.191 1.00 0.00 C ATOM 0 H THR A 39 15.318 22.262 -13.109 1.00 0.00 H new ATOM 0 HA THR A 39 15.267 22.405 -16.039 1.00 0.00 H new ATOM 0 HB THR A 39 15.875 20.023 -15.959 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.391 20.430 -13.172 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.217 20.299 -15.151 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.679 21.684 -16.131 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.746 21.821 -14.357 1.00 0.00 H new ATOM 615 N GLY A 40 12.683 21.756 -14.508 1.00 0.00 N ATOM 616 CA GLY A 40 11.261 21.399 -14.633 1.00 0.00 C ATOM 617 C GLY A 40 10.892 20.029 -14.043 1.00 0.00 C ATOM 618 O GLY A 40 9.890 19.430 -14.440 1.00 0.00 O ATOM 0 H GLY A 40 12.872 22.411 -13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.663 22.165 -14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.988 21.411 -15.688 1.00 0.00 H new ATOM 622 N GLY A 41 11.717 19.514 -13.127 1.00 0.00 N ATOM 623 CA GLY A 41 11.536 18.202 -12.487 1.00 0.00 C ATOM 624 C GLY A 41 12.115 17.021 -13.276 1.00 0.00 C ATOM 625 O GLY A 41 11.934 15.874 -12.867 1.00 0.00 O ATOM 0 H GLY A 41 12.549 20.006 -12.801 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.001 18.226 -11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.470 18.032 -12.333 1.00 0.00 H new ATOM 629 N ARG A 42 12.839 17.262 -14.379 1.00 0.00 N ATOM 630 CA ARG A 42 13.528 16.205 -15.143 1.00 0.00 C ATOM 631 C ARG A 42 14.811 15.775 -14.439 1.00 0.00 C ATOM 632 O ARG A 42 15.869 16.348 -14.674 1.00 0.00 O ATOM 633 CB ARG A 42 13.814 16.680 -16.577 1.00 0.00 C ATOM 634 CG ARG A 42 12.546 16.698 -17.447 1.00 0.00 C ATOM 635 CD ARG A 42 12.929 16.440 -18.908 1.00 0.00 C ATOM 636 NE ARG A 42 11.740 16.372 -19.783 1.00 0.00 N ATOM 637 CZ ARG A 42 11.077 17.379 -20.332 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.406 18.626 -20.147 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.049 17.143 -21.094 1.00 0.00 N ATOM 0 H ARG A 42 12.965 18.196 -14.769 1.00 0.00 H new ATOM 0 HA ARG A 42 12.873 15.335 -15.198 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.246 17.680 -16.547 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.556 16.025 -17.033 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.845 15.938 -17.103 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.042 17.660 -17.356 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.591 17.233 -19.256 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.486 15.506 -18.978 1.00 0.00 H new ATOM 0 HE ARG A 42 11.387 15.437 -19.989 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.205 18.861 -19.558 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.865 19.368 -20.591 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.753 16.183 -21.269 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.539 17.918 -21.517 1.00 0.00 H new ATOM 653 N VAL A 43 14.746 14.685 -13.670 1.00 0.00 N ATOM 654 CA VAL A 43 15.912 14.123 -12.946 1.00 0.00 C ATOM 655 C VAL A 43 17.105 13.854 -13.871 1.00 0.00 C ATOM 656 O VAL A 43 18.224 14.202 -13.511 1.00 0.00 O ATOM 657 CB VAL A 43 15.496 12.899 -12.097 1.00 0.00 C ATOM 658 CG1 VAL A 43 14.993 11.714 -12.929 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.624 12.432 -11.175 1.00 0.00 C ATOM 0 H VAL A 43 13.885 14.158 -13.525 1.00 0.00 H new ATOM 0 HA VAL A 43 16.269 14.880 -12.248 1.00 0.00 H new ATOM 0 HB VAL A 43 14.660 13.253 -11.494 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.720 10.893 -12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.121 12.019 -13.507 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.780 11.385 -13.607 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.289 11.571 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.491 12.152 -11.774 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.897 13.240 -10.496 1.00 0.00 H new ATOM 669 N ARG A 44 16.882 13.388 -15.111 1.00 0.00 N ATOM 670 CA ARG A 44 17.956 13.173 -16.105 1.00 0.00 C ATOM 671 C ARG A 44 18.721 14.459 -16.467 1.00 0.00 C ATOM 672 O ARG A 44 19.949 14.472 -16.492 1.00 0.00 O ATOM 673 CB ARG A 44 17.386 12.407 -17.329 1.00 0.00 C ATOM 674 CG ARG A 44 16.450 13.195 -18.276 1.00 0.00 C ATOM 675 CD ARG A 44 15.796 12.286 -19.328 1.00 0.00 C ATOM 676 NE ARG A 44 14.657 11.526 -18.766 1.00 0.00 N ATOM 677 CZ ARG A 44 14.457 10.219 -18.804 1.00 0.00 C ATOM 678 NH1 ARG A 44 15.333 9.375 -19.242 1.00 0.00 N ATOM 679 NH2 ARG A 44 13.363 9.676 -18.366 1.00 0.00 N ATOM 0 H ARG A 44 15.953 13.148 -15.456 1.00 0.00 H new ATOM 0 HA ARG A 44 18.724 12.546 -15.652 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.225 12.033 -17.916 1.00 0.00 H new ATOM 0 HB3 ARG A 44 16.842 11.537 -16.961 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.674 13.688 -17.691 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.018 13.979 -18.777 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.451 12.891 -20.167 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.539 11.591 -19.720 1.00 0.00 H new ATOM 0 HE ARG A 44 13.940 12.076 -18.293 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.235 9.707 -19.583 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.122 8.377 -19.247 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.624 10.261 -17.977 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.242 8.664 -18.411 1.00 0.00 H new ATOM 693 N ILE A 45 17.992 15.563 -16.652 1.00 0.00 N ATOM 694 CA ILE A 45 18.577 16.872 -17.008 1.00 0.00 C ATOM 695 C ILE A 45 19.173 17.557 -15.772 1.00 0.00 C ATOM 696 O ILE A 45 20.217 18.187 -15.873 1.00 0.00 O ATOM 697 CB ILE A 45 17.554 17.775 -17.742 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.868 17.081 -18.945 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.216 19.076 -18.238 1.00 0.00 C ATOM 700 CD1 ILE A 45 17.803 16.549 -20.044 1.00 0.00 C ATOM 0 H ILE A 45 16.976 15.581 -16.560 1.00 0.00 H new ATOM 0 HA ILE A 45 19.393 16.697 -17.709 1.00 0.00 H new ATOM 0 HB ILE A 45 16.786 17.997 -17.001 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.274 16.249 -18.568 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.174 17.788 -19.398 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.474 19.690 -18.749 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.619 19.626 -17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.024 18.833 -18.928 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.211 16.085 -20.832 1.00 0.00 H new ATOM 0 HD12 ILE A 45 18.380 17.374 -20.462 1.00 0.00 H new ATOM 0 HD13 ILE A 45 18.482 15.810 -19.618 1.00 0.00 H new ATOM 712 N ALA A 46 18.581 17.376 -14.590 1.00 0.00 N ATOM 713 CA ALA A 46 19.136 17.882 -13.332 1.00 0.00 C ATOM 714 C ALA A 46 20.510 17.255 -13.038 1.00 0.00 C ATOM 715 O ALA A 46 21.489 17.972 -12.838 1.00 0.00 O ATOM 716 CB ALA A 46 18.129 17.627 -12.202 1.00 0.00 C ATOM 0 H ALA A 46 17.701 16.873 -14.477 1.00 0.00 H new ATOM 0 HA ALA A 46 19.302 18.956 -13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.535 18.001 -11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.194 18.142 -12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.942 16.557 -12.116 1.00 0.00 H new ATOM 722 N ILE A 47 20.623 15.922 -13.106 1.00 0.00 N ATOM 723 CA ILE A 47 21.916 15.254 -12.893 1.00 0.00 C ATOM 724 C ILE A 47 22.897 15.546 -14.034 1.00 0.00 C ATOM 725 O ILE A 47 24.072 15.771 -13.757 1.00 0.00 O ATOM 726 CB ILE A 47 21.775 13.753 -12.562 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.341 12.888 -13.763 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.846 13.592 -11.346 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.161 11.405 -13.414 1.00 0.00 C ATOM 0 H ILE A 47 19.847 15.291 -13.304 1.00 0.00 H new ATOM 0 HA ILE A 47 22.355 15.690 -11.996 1.00 0.00 H new ATOM 0 HB ILE A 47 22.764 13.371 -12.309 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.403 13.276 -14.161 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.085 12.979 -14.554 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.741 12.534 -11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.271 14.118 -10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.867 14.010 -11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.855 10.856 -14.305 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.104 11.001 -13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.396 11.303 -12.644 1.00 0.00 H new ATOM 741 N ALA A 48 22.429 15.683 -15.283 1.00 0.00 N ATOM 742 CA ALA A 48 23.267 16.180 -16.375 1.00 0.00 C ATOM 743 C ALA A 48 23.831 17.591 -16.094 1.00 0.00 C ATOM 744 O ALA A 48 25.027 17.811 -16.265 1.00 0.00 O ATOM 745 CB ALA A 48 22.443 16.150 -17.667 1.00 0.00 C ATOM 0 H ALA A 48 21.474 15.455 -15.559 1.00 0.00 H new ATOM 0 HA ALA A 48 24.138 15.532 -16.474 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.050 16.517 -18.494 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.128 15.127 -17.874 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.564 16.784 -17.553 1.00 0.00 H new ATOM 751 N LYS A 49 23.015 18.527 -15.584 1.00 0.00 N ATOM 752 CA LYS A 49 23.449 19.889 -15.203 1.00 0.00 C ATOM 753 C LYS A 49 24.408 19.905 -14.004 1.00 0.00 C ATOM 754 O LYS A 49 25.289 20.761 -13.953 1.00 0.00 O ATOM 755 CB LYS A 49 22.221 20.781 -14.942 1.00 0.00 C ATOM 756 CG LYS A 49 21.482 21.200 -16.222 1.00 0.00 C ATOM 757 CD LYS A 49 22.236 22.271 -17.029 1.00 0.00 C ATOM 758 CE LYS A 49 21.428 22.657 -18.274 1.00 0.00 C ATOM 759 NZ LYS A 49 22.110 23.718 -19.072 1.00 0.00 N ATOM 0 H LYS A 49 22.022 18.361 -15.421 1.00 0.00 H new ATOM 0 HA LYS A 49 24.015 20.291 -16.044 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.528 20.249 -14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.539 21.676 -14.407 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.327 20.322 -16.849 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.495 21.580 -15.957 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.407 23.151 -16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.215 21.893 -17.324 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.277 21.775 -18.897 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.441 23.007 -17.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.532 23.951 -19.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 22.232 24.569 -18.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 23.041 23.375 -19.382 1.00 0.00 H new ATOM 773 N LEU A 50 24.289 18.950 -13.072 1.00 0.00 N ATOM 774 CA LEU A 50 25.302 18.759 -12.014 1.00 0.00 C ATOM 775 C LEU A 50 26.630 18.194 -12.560 1.00 0.00 C ATOM 776 O LEU A 50 27.697 18.568 -12.072 1.00 0.00 O ATOM 777 CB LEU A 50 24.758 17.845 -10.890 1.00 0.00 C ATOM 778 CG LEU A 50 24.081 18.520 -9.682 1.00 0.00 C ATOM 779 CD1 LEU A 50 24.995 19.525 -8.974 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.769 19.206 -10.044 1.00 0.00 C ATOM 0 H LEU A 50 23.506 18.298 -13.025 1.00 0.00 H new ATOM 0 HA LEU A 50 25.513 19.747 -11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.040 17.157 -11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.587 17.243 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 50 23.866 17.701 -8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.464 19.969 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.887 19.014 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.285 20.309 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.339 19.663 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.955 19.976 -10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.073 18.470 -10.446 1.00 0.00 H new ATOM 792 N LEU A 51 26.579 17.293 -13.548 1.00 0.00 N ATOM 793 CA LEU A 51 27.756 16.572 -14.063 1.00 0.00 C ATOM 794 C LEU A 51 28.502 17.294 -15.206 1.00 0.00 C ATOM 795 O LEU A 51 29.703 17.074 -15.372 1.00 0.00 O ATOM 796 CB LEU A 51 27.315 15.157 -14.492 1.00 0.00 C ATOM 797 CG LEU A 51 26.896 14.240 -13.323 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.225 12.978 -13.864 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.092 13.810 -12.469 1.00 0.00 C ATOM 0 H LEU A 51 25.711 17.039 -14.020 1.00 0.00 H new ATOM 0 HA LEU A 51 28.484 16.524 -13.253 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.480 15.245 -15.187 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.133 14.683 -15.035 1.00 0.00 H new ATOM 0 HG LEU A 51 26.208 14.815 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.933 12.337 -13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.340 13.254 -14.438 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.923 12.442 -14.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.748 13.166 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.804 13.265 -13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.576 14.692 -12.050 1.00 0.00 H new ATOM 811 N SER A 52 27.845 18.173 -15.967 1.00 0.00 N ATOM 812 CA SER A 52 28.396 18.799 -17.188 1.00 0.00 C ATOM 813 C SER A 52 29.639 19.680 -16.971 1.00 0.00 C ATOM 814 O SER A 52 30.379 19.939 -17.927 1.00 0.00 O ATOM 815 CB SER A 52 27.311 19.622 -17.893 1.00 0.00 C ATOM 816 OG SER A 52 26.858 20.682 -17.058 1.00 0.00 O ATOM 0 H SER A 52 26.896 18.480 -15.754 1.00 0.00 H new ATOM 0 HA SER A 52 28.728 17.964 -17.805 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.705 20.029 -18.824 1.00 0.00 H new ATOM 0 HB3 SER A 52 26.473 18.977 -18.157 1.00 0.00 H new ATOM 0 HG SER A 52 26.168 21.196 -17.527 1.00 0.00 H new ATOM 822 N LYS A 53 29.911 20.101 -15.726 1.00 0.00 N ATOM 823 CA LYS A 53 31.133 20.833 -15.336 1.00 0.00 C ATOM 824 C LYS A 53 32.419 19.987 -15.372 1.00 0.00 C ATOM 825 O LYS A 53 33.514 20.552 -15.365 1.00 0.00 O ATOM 826 CB LYS A 53 30.924 21.502 -13.962 1.00 0.00 C ATOM 827 CG LYS A 53 30.763 20.498 -12.806 1.00 0.00 C ATOM 828 CD LYS A 53 30.550 21.229 -11.471 1.00 0.00 C ATOM 829 CE LYS A 53 30.380 20.217 -10.332 1.00 0.00 C ATOM 830 NZ LYS A 53 30.244 20.899 -9.011 1.00 0.00 N ATOM 0 H LYS A 53 29.276 19.940 -14.944 1.00 0.00 H new ATOM 0 HA LYS A 53 31.293 21.600 -16.093 1.00 0.00 H new ATOM 0 HB2 LYS A 53 31.773 22.153 -13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 53 30.039 22.137 -14.007 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.916 19.841 -13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 53 31.649 19.866 -12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 53 31.400 21.879 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.669 21.867 -11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.499 19.603 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 53 31.238 19.545 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.131 20.186 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 31.096 21.466 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.411 21.521 -9.026 1.00 0.00 H new ATOM 844 N GLN A 54 32.306 18.653 -15.408 1.00 0.00 N ATOM 845 CA GLN A 54 33.452 17.733 -15.496 1.00 0.00 C ATOM 846 C GLN A 54 34.086 17.746 -16.903 1.00 0.00 C ATOM 847 O GLN A 54 33.385 17.877 -17.911 1.00 0.00 O ATOM 848 CB GLN A 54 33.021 16.307 -15.110 1.00 0.00 C ATOM 849 CG GLN A 54 32.564 16.200 -13.643 1.00 0.00 C ATOM 850 CD GLN A 54 32.106 14.794 -13.242 1.00 0.00 C ATOM 851 OE1 GLN A 54 32.038 13.856 -14.027 1.00 0.00 O ATOM 852 NE2 GLN A 54 31.768 14.590 -11.984 1.00 0.00 N ATOM 0 H GLN A 54 31.406 18.174 -15.377 1.00 0.00 H new ATOM 0 HA GLN A 54 34.210 18.076 -14.792 1.00 0.00 H new ATOM 0 HB2 GLN A 54 32.209 15.988 -15.763 1.00 0.00 H new ATOM 0 HB3 GLN A 54 33.853 15.623 -15.278 1.00 0.00 H new ATOM 0 HG2 GLN A 54 33.384 16.505 -12.993 1.00 0.00 H new ATOM 0 HG3 GLN A 54 31.746 16.901 -13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 54 31.817 15.356 -11.312 1.00 0.00 H new ATOM 0 HE22 GLN A 54 31.458 13.666 -11.683 1.00 0.00 H new ATOM 861 N THR A 55 35.411 17.577 -16.976 1.00 0.00 N ATOM 862 CA THR A 55 36.205 17.622 -18.218 1.00 0.00 C ATOM 863 C THR A 55 37.284 16.535 -18.275 1.00 0.00 C ATOM 864 O THR A 55 37.771 16.049 -17.249 1.00 0.00 O ATOM 865 CB THR A 55 36.877 18.997 -18.416 1.00 0.00 C ATOM 866 OG1 THR A 55 37.580 19.393 -17.252 1.00 0.00 O ATOM 867 CG2 THR A 55 35.862 20.091 -18.751 1.00 0.00 C ATOM 0 H THR A 55 35.982 17.399 -16.149 1.00 0.00 H new ATOM 0 HA THR A 55 35.491 17.442 -19.022 1.00 0.00 H new ATOM 0 HB THR A 55 37.566 18.878 -19.252 1.00 0.00 H new ATOM 0 HG1 THR A 55 37.998 20.266 -17.404 1.00 0.00 H new ATOM 0 HG21 THR A 55 36.381 21.041 -18.882 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.340 19.833 -19.672 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.141 20.180 -17.938 1.00 0.00 H new ATOM 875 N SER A 56 37.666 16.157 -19.498 1.00 0.00 N ATOM 876 CA SER A 56 38.802 15.277 -19.810 1.00 0.00 C ATOM 877 C SER A 56 40.140 16.038 -19.767 1.00 0.00 C ATOM 878 O SER A 56 40.161 17.268 -19.660 1.00 0.00 O ATOM 879 CB SER A 56 38.602 14.650 -21.205 1.00 0.00 C ATOM 880 OG SER A 56 37.316 14.049 -21.335 1.00 0.00 O ATOM 0 H SER A 56 37.173 16.468 -20.335 1.00 0.00 H new ATOM 0 HA SER A 56 38.840 14.494 -19.052 1.00 0.00 H new ATOM 0 HB2 SER A 56 38.724 15.417 -21.969 1.00 0.00 H new ATOM 0 HB3 SER A 56 39.373 13.900 -21.381 1.00 0.00 H new ATOM 0 HG SER A 56 37.224 13.664 -22.231 1.00 0.00 H new ATOM 886 N GLY A 57 41.266 15.324 -19.901 1.00 0.00 N ATOM 887 CA GLY A 57 42.600 15.931 -20.049 1.00 0.00 C ATOM 888 C GLY A 57 42.677 16.933 -21.212 1.00 0.00 C ATOM 889 O GLY A 57 41.990 16.777 -22.227 1.00 0.00 O ATOM 0 H GLY A 57 41.279 14.304 -19.910 1.00 0.00 H new ATOM 0 HA2 GLY A 57 42.868 16.437 -19.122 1.00 0.00 H new ATOM 0 HA3 GLY A 57 43.337 15.143 -20.206 1.00 0.00 H new ATOM 893 N GLY A 58 43.469 17.996 -21.044 1.00 0.00 N ATOM 894 CA GLY A 58 43.520 19.128 -21.986 1.00 0.00 C ATOM 895 C GLY A 58 42.227 19.962 -22.027 1.00 0.00 C ATOM 896 O GLY A 58 41.943 20.605 -23.041 1.00 0.00 O ATOM 0 H GLY A 58 44.098 18.100 -20.248 1.00 0.00 H new ATOM 0 HA2 GLY A 58 44.352 19.778 -21.714 1.00 0.00 H new ATOM 0 HA3 GLY A 58 43.727 18.747 -22.986 1.00 0.00 H new ATOM 900 N SER A 59 41.422 19.923 -20.954 1.00 0.00 N ATOM 901 CA SER A 59 40.073 20.519 -20.847 1.00 0.00 C ATOM 902 C SER A 59 39.077 20.039 -21.926 1.00 0.00 C ATOM 903 O SER A 59 38.167 20.774 -22.321 1.00 0.00 O ATOM 904 CB SER A 59 40.134 22.050 -20.730 1.00 0.00 C ATOM 905 OG SER A 59 40.930 22.447 -19.616 1.00 0.00 O ATOM 0 H SER A 59 41.704 19.453 -20.094 1.00 0.00 H new ATOM 0 HA SER A 59 39.660 20.139 -19.913 1.00 0.00 H new ATOM 0 HB2 SER A 59 40.548 22.472 -21.646 1.00 0.00 H new ATOM 0 HB3 SER A 59 39.126 22.450 -20.622 1.00 0.00 H new ATOM 0 HG SER A 59 40.955 23.425 -19.564 1.00 0.00 H new ATOM 911 N GLY A 60 39.245 18.803 -22.411 1.00 0.00 N ATOM 912 CA GLY A 60 38.356 18.156 -23.383 1.00 0.00 C ATOM 913 C GLY A 60 37.038 17.629 -22.790 1.00 0.00 C ATOM 914 O GLY A 60 36.723 17.856 -21.619 1.00 0.00 O ATOM 0 H GLY A 60 40.025 18.209 -22.130 1.00 0.00 H new ATOM 0 HA2 GLY A 60 38.124 18.868 -24.175 1.00 0.00 H new ATOM 0 HA3 GLY A 60 38.889 17.326 -23.847 1.00 0.00 H new ATOM 918 N GLY A 61 36.281 16.884 -23.596 1.00 0.00 N ATOM 919 CA GLY A 61 35.023 16.242 -23.189 1.00 0.00 C ATOM 920 C GLY A 61 34.501 15.213 -24.202 1.00 0.00 C ATOM 921 O GLY A 61 35.069 15.032 -25.282 1.00 0.00 O ATOM 0 H GLY A 61 36.527 16.704 -24.570 1.00 0.00 H new ATOM 0 HA2 GLY A 61 35.171 15.750 -22.228 1.00 0.00 H new ATOM 0 HA3 GLY A 61 34.264 17.010 -23.041 1.00 0.00 H new ATOM 925 N SER A 62 33.400 14.540 -23.852 1.00 0.00 N ATOM 926 CA SER A 62 32.834 13.407 -24.614 1.00 0.00 C ATOM 927 C SER A 62 32.118 13.800 -25.920 1.00 0.00 C ATOM 928 O SER A 62 31.861 12.932 -26.760 1.00 0.00 O ATOM 929 CB SER A 62 31.860 12.619 -23.727 1.00 0.00 C ATOM 930 OG SER A 62 32.494 12.205 -22.520 1.00 0.00 O ATOM 0 H SER A 62 32.862 14.767 -23.016 1.00 0.00 H new ATOM 0 HA SER A 62 33.690 12.800 -24.907 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.993 13.237 -23.494 1.00 0.00 H new ATOM 0 HB3 SER A 62 31.494 11.747 -24.268 1.00 0.00 H new ATOM 0 HG SER A 62 31.855 11.706 -21.969 1.00 0.00 H new ATOM 936 N LYS A 63 31.791 15.090 -26.103 1.00 0.00 N ATOM 937 CA LYS A 63 31.106 15.648 -27.288 1.00 0.00 C ATOM 938 C LYS A 63 31.782 16.938 -27.763 1.00 0.00 C ATOM 939 O LYS A 63 32.187 17.772 -26.950 1.00 0.00 O ATOM 940 CB LYS A 63 29.612 15.835 -26.942 1.00 0.00 C ATOM 941 CG LYS A 63 28.690 16.220 -28.118 1.00 0.00 C ATOM 942 CD LYS A 63 28.519 17.737 -28.324 1.00 0.00 C ATOM 943 CE LYS A 63 27.442 17.999 -29.389 1.00 0.00 C ATOM 944 NZ LYS A 63 27.226 19.456 -29.611 1.00 0.00 N ATOM 0 H LYS A 63 32.003 15.803 -25.405 1.00 0.00 H new ATOM 0 HA LYS A 63 31.179 14.959 -28.130 1.00 0.00 H new ATOM 0 HB2 LYS A 63 29.242 14.908 -26.504 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.530 16.605 -26.175 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.089 15.784 -29.034 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.708 15.775 -27.955 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.237 18.212 -27.384 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.465 18.180 -28.634 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.736 17.528 -30.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.505 17.536 -29.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.254 19.616 -29.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.373 19.969 -28.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.899 19.802 -30.324 1.00 0.00 H new ATOM 958 N LEU A 64 31.876 17.105 -29.085 1.00 0.00 N ATOM 959 CA LEU A 64 32.391 18.304 -29.764 1.00 0.00 C ATOM 960 C LEU A 64 31.555 18.664 -31.010 1.00 0.00 C ATOM 961 O LEU A 64 30.718 17.877 -31.458 1.00 0.00 O ATOM 962 CB LEU A 64 33.906 18.141 -30.037 1.00 0.00 C ATOM 963 CG LEU A 64 34.380 16.911 -30.844 1.00 0.00 C ATOM 964 CD1 LEU A 64 33.972 16.945 -32.317 1.00 0.00 C ATOM 965 CD2 LEU A 64 35.908 16.842 -30.800 1.00 0.00 C ATOM 0 H LEU A 64 31.584 16.381 -29.741 1.00 0.00 H new ATOM 0 HA LEU A 64 32.282 19.167 -29.108 1.00 0.00 H new ATOM 0 HB2 LEU A 64 34.247 19.034 -30.562 1.00 0.00 H new ATOM 0 HB3 LEU A 64 34.417 18.123 -29.074 1.00 0.00 H new ATOM 0 HG LEU A 64 33.904 16.046 -30.382 1.00 0.00 H new ATOM 0 HD11 LEU A 64 34.340 16.049 -32.817 1.00 0.00 H new ATOM 0 HD12 LEU A 64 32.885 16.982 -32.393 1.00 0.00 H new ATOM 0 HD13 LEU A 64 34.399 17.828 -32.793 1.00 0.00 H new ATOM 0 HD21 LEU A 64 36.250 15.976 -31.367 1.00 0.00 H new ATOM 0 HD22 LEU A 64 36.326 17.749 -31.236 1.00 0.00 H new ATOM 0 HD23 LEU A 64 36.238 16.751 -29.765 1.00 0.00 H new ATOM 977 N GLY A 65 31.767 19.865 -31.557 1.00 0.00 N ATOM 978 CA GLY A 65 31.047 20.373 -32.733 1.00 0.00 C ATOM 979 C GLY A 65 29.570 20.722 -32.480 1.00 0.00 C ATOM 980 O GLY A 65 29.104 20.770 -31.334 1.00 0.00 O ATOM 0 H GLY A 65 32.454 20.523 -31.191 1.00 0.00 H new ATOM 0 HA2 GLY A 65 31.559 21.263 -33.099 1.00 0.00 H new ATOM 0 HA3 GLY A 65 31.099 19.626 -33.525 1.00 0.00 H new ATOM 984 N GLY A 66 28.829 20.976 -33.563 1.00 0.00 N ATOM 985 CA GLY A 66 27.408 21.358 -33.547 1.00 0.00 C ATOM 986 C GLY A 66 26.433 20.240 -33.144 1.00 0.00 C ATOM 987 O GLY A 66 26.830 19.114 -32.837 1.00 0.00 O ATOM 0 H GLY A 66 29.211 20.920 -34.507 1.00 0.00 H new ATOM 0 HA2 GLY A 66 27.281 22.194 -32.859 1.00 0.00 H new ATOM 0 HA3 GLY A 66 27.134 21.717 -34.539 1.00 0.00 H new ATOM 991 N SER A 67 25.136 20.569 -33.139 1.00 0.00 N ATOM 992 CA SER A 67 24.036 19.699 -32.672 1.00 0.00 C ATOM 993 C SER A 67 22.895 19.545 -33.698 1.00 0.00 C ATOM 994 O SER A 67 21.772 19.178 -33.342 1.00 0.00 O ATOM 995 CB SER A 67 23.507 20.207 -31.322 1.00 0.00 C ATOM 996 OG SER A 67 24.552 20.283 -30.355 1.00 0.00 O ATOM 0 H SER A 67 24.806 21.476 -33.469 1.00 0.00 H new ATOM 0 HA SER A 67 24.451 18.699 -32.547 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.056 21.191 -31.452 1.00 0.00 H new ATOM 0 HB3 SER A 67 22.722 19.542 -30.962 1.00 0.00 H new ATOM 0 HG SER A 67 24.189 20.611 -29.506 1.00 0.00 H new ATOM 1002 N GLY A 68 23.160 19.838 -34.976 1.00 0.00 N ATOM 1003 CA GLY A 68 22.164 19.832 -36.058 1.00 0.00 C ATOM 1004 C GLY A 68 21.120 20.955 -35.953 1.00 0.00 C ATOM 1005 O GLY A 68 21.331 21.965 -35.274 1.00 0.00 O ATOM 0 H GLY A 68 24.095 20.092 -35.296 1.00 0.00 H new ATOM 0 HA2 GLY A 68 22.681 19.918 -37.014 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.650 18.871 -36.059 1.00 0.00 H new ATOM 1009 N GLY A 69 19.987 20.783 -36.639 1.00 0.00 N ATOM 1010 CA GLY A 69 18.867 21.736 -36.635 1.00 0.00 C ATOM 1011 C GLY A 69 18.091 21.791 -35.312 1.00 0.00 C ATOM 1012 O GLY A 69 18.176 20.883 -34.479 1.00 0.00 O ATOM 0 H GLY A 69 19.816 19.965 -37.224 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.251 22.731 -36.859 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.177 21.472 -37.437 1.00 0.00 H new ATOM 1016 N SER A 70 17.300 22.852 -35.126 1.00 0.00 N ATOM 1017 CA SER A 70 16.452 23.063 -33.935 1.00 0.00 C ATOM 1018 C SER A 70 15.299 22.054 -33.821 1.00 0.00 C ATOM 1019 O SER A 70 14.866 21.733 -32.710 1.00 0.00 O ATOM 1020 CB SER A 70 15.898 24.494 -33.944 1.00 0.00 C ATOM 1021 OG SER A 70 15.173 24.746 -35.143 1.00 0.00 O ATOM 0 H SER A 70 17.225 23.606 -35.809 1.00 0.00 H new ATOM 0 HA SER A 70 17.087 22.906 -33.063 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.248 24.643 -33.082 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.717 25.207 -33.852 1.00 0.00 H new ATOM 0 HG SER A 70 14.826 25.663 -35.129 1.00 0.00 H new ATOM 1027 N ARG A 71 14.839 21.510 -34.958 1.00 0.00 N ATOM 1028 CA ARG A 71 13.899 20.379 -35.074 1.00 0.00 C ATOM 1029 C ARG A 71 14.563 19.228 -35.841 1.00 0.00 C ATOM 1030 O ARG A 71 15.213 19.459 -36.864 1.00 0.00 O ATOM 1031 CB ARG A 71 12.595 20.830 -35.766 1.00 0.00 C ATOM 1032 CG ARG A 71 11.826 21.956 -35.049 1.00 0.00 C ATOM 1033 CD ARG A 71 11.354 21.610 -33.631 1.00 0.00 C ATOM 1034 NE ARG A 71 10.397 20.483 -33.619 1.00 0.00 N ATOM 1035 CZ ARG A 71 9.941 19.844 -32.555 1.00 0.00 C ATOM 1036 NH1 ARG A 71 10.312 20.157 -31.346 1.00 0.00 N ATOM 1037 NH2 ARG A 71 9.090 18.867 -32.688 1.00 0.00 N ATOM 0 H ARG A 71 15.126 21.864 -35.870 1.00 0.00 H new ATOM 0 HA ARG A 71 13.641 20.025 -34.076 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.835 21.162 -36.776 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.937 19.967 -35.862 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.464 22.838 -34.999 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.958 22.224 -35.651 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.217 21.358 -33.014 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.886 22.486 -33.182 1.00 0.00 H new ATOM 0 HE ARG A 71 10.053 20.166 -34.525 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.975 20.917 -31.197 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.939 19.642 -30.549 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.772 18.591 -33.617 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.742 18.378 -31.863 1.00 0.00 H new ATOM 1051 N LYS A 72 14.403 17.997 -35.341 1.00 0.00 N ATOM 1052 CA LYS A 72 14.993 16.752 -35.879 1.00 0.00 C ATOM 1053 C LYS A 72 13.993 15.588 -35.834 1.00 0.00 C ATOM 1054 O LYS A 72 13.082 15.575 -35.003 1.00 0.00 O ATOM 1055 CB LYS A 72 16.275 16.396 -35.095 1.00 0.00 C ATOM 1056 CG LYS A 72 17.451 17.344 -35.394 1.00 0.00 C ATOM 1057 CD LYS A 72 18.732 16.948 -34.637 1.00 0.00 C ATOM 1058 CE LYS A 72 18.675 17.272 -33.134 1.00 0.00 C ATOM 1059 NZ LYS A 72 19.008 18.698 -32.846 1.00 0.00 N ATOM 0 H LYS A 72 13.833 17.827 -34.512 1.00 0.00 H new ATOM 0 HA LYS A 72 15.249 16.923 -36.925 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.059 16.421 -34.027 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.569 15.375 -35.337 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.651 17.344 -36.466 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.172 18.362 -35.122 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.906 15.880 -34.765 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.583 17.465 -35.081 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.677 17.051 -32.755 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.370 16.624 -32.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.731 18.929 -31.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.031 18.845 -32.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.494 19.315 -33.507 1.00 0.00 H new ATOM 1073 N ASP A 73 14.176 14.610 -36.720 1.00 0.00 N ATOM 1074 CA ASP A 73 13.371 13.384 -36.817 1.00 0.00 C ATOM 1075 C ASP A 73 14.226 12.188 -37.293 1.00 0.00 C ATOM 1076 O ASP A 73 15.276 12.375 -37.915 1.00 0.00 O ATOM 1077 CB ASP A 73 12.177 13.638 -37.755 1.00 0.00 C ATOM 1078 CG ASP A 73 11.146 12.492 -37.772 1.00 0.00 C ATOM 1079 OD1 ASP A 73 10.983 11.795 -36.741 1.00 0.00 O ATOM 1080 OD2 ASP A 73 10.489 12.294 -38.821 1.00 0.00 O ATOM 0 H ASP A 73 14.917 14.647 -37.419 1.00 0.00 H new ATOM 0 HA ASP A 73 12.993 13.123 -35.829 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.678 14.559 -37.452 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.549 13.795 -38.767 1.00 0.00 H new ATOM 1085 N LEU A 74 13.773 10.961 -36.997 1.00 0.00 N ATOM 1086 CA LEU A 74 14.484 9.693 -37.247 1.00 0.00 C ATOM 1087 C LEU A 74 15.917 9.661 -36.658 1.00 0.00 C ATOM 1088 O LEU A 74 16.836 9.073 -37.236 1.00 0.00 O ATOM 1089 CB LEU A 74 14.412 9.307 -38.743 1.00 0.00 C ATOM 1090 CG LEU A 74 12.998 9.263 -39.357 1.00 0.00 C ATOM 1091 CD1 LEU A 74 13.099 8.888 -40.836 1.00 0.00 C ATOM 1092 CD2 LEU A 74 12.089 8.240 -38.670 1.00 0.00 C ATOM 0 H LEU A 74 12.864 10.816 -36.559 1.00 0.00 H new ATOM 0 HA LEU A 74 13.960 8.913 -36.694 1.00 0.00 H new ATOM 0 HB2 LEU A 74 15.013 10.017 -39.311 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.873 8.327 -38.869 1.00 0.00 H new ATOM 0 HG LEU A 74 12.562 10.253 -39.222 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.101 8.856 -41.272 1.00 0.00 H new ATOM 0 HD12 LEU A 74 13.700 9.631 -41.360 1.00 0.00 H new ATOM 0 HD13 LEU A 74 13.568 7.909 -40.932 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.107 8.251 -39.142 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.525 7.245 -38.763 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.987 8.494 -37.615 1.00 0.00 H new ATOM 1104 N SER A 75 16.111 10.311 -35.503 1.00 0.00 N ATOM 1105 CA SER A 75 17.409 10.483 -34.831 1.00 0.00 C ATOM 1106 C SER A 75 18.055 9.154 -34.404 1.00 0.00 C ATOM 1107 O SER A 75 17.364 8.203 -34.021 1.00 0.00 O ATOM 1108 CB SER A 75 17.250 11.382 -33.597 1.00 0.00 C ATOM 1109 OG SER A 75 16.623 12.612 -33.941 1.00 0.00 O ATOM 0 H SER A 75 15.343 10.747 -34.992 1.00 0.00 H new ATOM 0 HA SER A 75 18.071 10.946 -35.563 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.658 10.867 -32.841 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.228 11.578 -33.157 1.00 0.00 H new ATOM 0 HG SER A 75 16.531 13.168 -33.139 1.00 0.00 H new ATOM 1115 N VAL A 76 19.393 9.100 -34.425 1.00 0.00 N ATOM 1116 CA VAL A 76 20.181 7.930 -33.977 1.00 0.00 C ATOM 1117 C VAL A 76 20.262 7.828 -32.444 1.00 0.00 C ATOM 1118 O VAL A 76 20.040 8.807 -31.724 1.00 0.00 O ATOM 1119 CB VAL A 76 21.592 7.901 -34.608 1.00 0.00 C ATOM 1120 CG1 VAL A 76 21.508 7.751 -36.131 1.00 0.00 C ATOM 1121 CG2 VAL A 76 22.439 9.131 -34.266 1.00 0.00 C ATOM 0 H VAL A 76 19.971 9.873 -34.756 1.00 0.00 H new ATOM 0 HA VAL A 76 19.642 7.052 -34.332 1.00 0.00 H new ATOM 0 HB VAL A 76 22.089 7.034 -34.174 1.00 0.00 H new ATOM 0 HG11 VAL A 76 22.514 7.733 -36.551 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.995 6.821 -36.377 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.955 8.592 -36.549 1.00 0.00 H new ATOM 0 HG21 VAL A 76 23.416 9.044 -34.742 1.00 0.00 H new ATOM 0 HG22 VAL A 76 21.938 10.029 -34.627 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.566 9.196 -33.185 1.00 0.00 H new ATOM 1131 N LYS A 77 20.601 6.632 -31.943 1.00 0.00 N ATOM 1132 CA LYS A 77 20.769 6.344 -30.504 1.00 0.00 C ATOM 1133 C LYS A 77 22.030 6.984 -29.900 1.00 0.00 C ATOM 1134 O LYS A 77 22.966 7.347 -30.617 1.00 0.00 O ATOM 1135 CB LYS A 77 20.647 4.823 -30.249 1.00 0.00 C ATOM 1136 CG LYS A 77 21.712 3.911 -30.896 1.00 0.00 C ATOM 1137 CD LYS A 77 23.008 3.771 -30.073 1.00 0.00 C ATOM 1138 CE LYS A 77 24.034 2.828 -30.728 1.00 0.00 C ATOM 1139 NZ LYS A 77 23.621 1.395 -30.684 1.00 0.00 N ATOM 0 H LYS A 77 20.770 5.819 -32.535 1.00 0.00 H new ATOM 0 HA LYS A 77 19.955 6.827 -29.963 1.00 0.00 H new ATOM 0 HB2 LYS A 77 20.671 4.658 -29.172 1.00 0.00 H new ATOM 0 HB3 LYS A 77 19.667 4.499 -30.600 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.282 2.921 -31.048 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.961 4.305 -31.881 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.458 4.755 -29.943 1.00 0.00 H new ATOM 0 HD3 LYS A 77 22.763 3.398 -29.078 1.00 0.00 H new ATOM 0 HE2 LYS A 77 24.182 3.126 -31.766 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.994 2.939 -30.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 24.350 0.809 -31.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.506 1.097 -29.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.719 1.278 -31.188 1.00 0.00 H new ATOM 1153 N GLY A 78 22.054 7.100 -28.571 1.00 0.00 N ATOM 1154 CA GLY A 78 23.165 7.667 -27.796 1.00 0.00 C ATOM 1155 C GLY A 78 22.936 7.595 -26.279 1.00 0.00 C ATOM 1156 O GLY A 78 21.875 7.166 -25.819 1.00 0.00 O ATOM 0 H GLY A 78 21.278 6.793 -27.984 1.00 0.00 H new ATOM 0 HA2 GLY A 78 24.083 7.135 -28.045 1.00 0.00 H new ATOM 0 HA3 GLY A 78 23.310 8.707 -28.087 1.00 0.00 H new ATOM 1160 N MET A 79 23.936 8.009 -25.492 1.00 0.00 N ATOM 1161 CA MET A 79 23.885 7.975 -24.023 1.00 0.00 C ATOM 1162 C MET A 79 22.946 9.057 -23.456 1.00 0.00 C ATOM 1163 O MET A 79 23.094 10.245 -23.756 1.00 0.00 O ATOM 1164 CB MET A 79 25.308 8.102 -23.452 1.00 0.00 C ATOM 1165 CG MET A 79 25.338 8.002 -21.919 1.00 0.00 C ATOM 1166 SD MET A 79 27.000 8.088 -21.198 1.00 0.00 S ATOM 1167 CE MET A 79 26.560 8.120 -19.438 1.00 0.00 C ATOM 0 H MET A 79 24.812 8.381 -25.859 1.00 0.00 H new ATOM 0 HA MET A 79 23.469 7.016 -23.714 1.00 0.00 H new ATOM 0 HB2 MET A 79 25.937 7.320 -23.876 1.00 0.00 H new ATOM 0 HB3 MET A 79 25.735 9.057 -23.759 1.00 0.00 H new ATOM 0 HG2 MET A 79 24.732 8.806 -21.502 1.00 0.00 H new ATOM 0 HG3 MET A 79 24.872 7.063 -21.619 1.00 0.00 H new ATOM 0 HE1 MET A 79 27.468 8.173 -18.837 1.00 0.00 H new ATOM 0 HE2 MET A 79 25.939 8.992 -19.234 1.00 0.00 H new ATOM 0 HE3 MET A 79 26.009 7.214 -19.184 1.00 0.00 H new ATOM 1177 N LEU A 80 22.011 8.642 -22.595 1.00 0.00 N ATOM 1178 CA LEU A 80 21.114 9.503 -21.816 1.00 0.00 C ATOM 1179 C LEU A 80 20.717 8.793 -20.505 1.00 0.00 C ATOM 1180 O LEU A 80 20.379 7.608 -20.520 1.00 0.00 O ATOM 1181 CB LEU A 80 19.880 9.841 -22.682 1.00 0.00 C ATOM 1182 CG LEU A 80 18.821 10.734 -22.006 1.00 0.00 C ATOM 1183 CD1 LEU A 80 19.361 12.118 -21.639 1.00 0.00 C ATOM 1184 CD2 LEU A 80 17.628 10.925 -22.942 1.00 0.00 C ATOM 0 H LEU A 80 21.851 7.651 -22.414 1.00 0.00 H new ATOM 0 HA LEU A 80 21.613 10.433 -21.545 1.00 0.00 H new ATOM 0 HB2 LEU A 80 20.220 10.336 -23.592 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.404 8.909 -22.985 1.00 0.00 H new ATOM 0 HG LEU A 80 18.528 10.225 -21.088 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.572 12.703 -21.166 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.197 12.011 -20.948 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.699 12.627 -22.541 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.883 11.557 -22.458 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.962 11.399 -23.865 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.187 9.955 -23.172 1.00 0.00 H new ATOM 1196 N TYR A 81 20.737 9.513 -19.378 1.00 0.00 N ATOM 1197 CA TYR A 81 20.347 8.971 -18.066 1.00 0.00 C ATOM 1198 C TYR A 81 18.837 8.689 -17.978 1.00 0.00 C ATOM 1199 O TYR A 81 18.039 9.375 -18.619 1.00 0.00 O ATOM 1200 CB TYR A 81 20.768 9.941 -16.951 1.00 0.00 C ATOM 1201 CG TYR A 81 22.192 10.465 -17.044 1.00 0.00 C ATOM 1202 CD1 TYR A 81 23.277 9.621 -16.739 1.00 0.00 C ATOM 1203 CD2 TYR A 81 22.427 11.796 -17.446 1.00 0.00 C ATOM 1204 CE1 TYR A 81 24.596 10.103 -16.842 1.00 0.00 C ATOM 1205 CE2 TYR A 81 23.746 12.277 -17.560 1.00 0.00 C ATOM 1206 CZ TYR A 81 24.838 11.429 -17.261 1.00 0.00 C ATOM 1207 OH TYR A 81 26.121 11.874 -17.384 1.00 0.00 O ATOM 0 H TYR A 81 21.025 10.491 -19.347 1.00 0.00 H new ATOM 0 HA TYR A 81 20.863 8.019 -17.940 1.00 0.00 H new ATOM 0 HB2 TYR A 81 20.085 10.791 -16.956 1.00 0.00 H new ATOM 0 HB3 TYR A 81 20.646 9.439 -15.991 1.00 0.00 H new ATOM 0 HD1 TYR A 81 23.097 8.603 -16.426 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.594 12.448 -17.667 1.00 0.00 H new ATOM 0 HE1 TYR A 81 25.426 9.456 -16.599 1.00 0.00 H new ATOM 0 HE2 TYR A 81 23.924 13.294 -17.876 1.00 0.00 H new ATOM 0 HH TYR A 81 26.116 12.807 -17.683 1.00 0.00 H new ATOM 1217 N ASP A 82 18.429 7.722 -17.150 1.00 0.00 N ATOM 1218 CA ASP A 82 17.016 7.387 -16.916 1.00 0.00 C ATOM 1219 C ASP A 82 16.730 6.927 -15.471 1.00 0.00 C ATOM 1220 O ASP A 82 17.328 5.970 -14.972 1.00 0.00 O ATOM 1221 CB ASP A 82 16.566 6.323 -17.931 1.00 0.00 C ATOM 1222 CG ASP A 82 15.044 6.101 -17.871 1.00 0.00 C ATOM 1223 OD1 ASP A 82 14.304 6.980 -18.377 1.00 0.00 O ATOM 1224 OD2 ASP A 82 14.593 5.073 -17.317 1.00 0.00 O ATOM 0 H ASP A 82 19.076 7.142 -16.616 1.00 0.00 H new ATOM 0 HA ASP A 82 16.438 8.300 -17.056 1.00 0.00 H new ATOM 0 HB2 ASP A 82 16.851 6.633 -18.936 1.00 0.00 H new ATOM 0 HB3 ASP A 82 17.081 5.384 -17.729 1.00 0.00 H new ATOM 1229 N SER A 83 15.792 7.618 -14.815 1.00 0.00 N ATOM 1230 CA SER A 83 15.186 7.276 -13.516 1.00 0.00 C ATOM 1231 C SER A 83 13.836 8.008 -13.350 1.00 0.00 C ATOM 1232 O SER A 83 13.513 8.903 -14.137 1.00 0.00 O ATOM 1233 CB SER A 83 16.140 7.612 -12.353 1.00 0.00 C ATOM 1234 OG SER A 83 16.645 8.935 -12.434 1.00 0.00 O ATOM 0 H SER A 83 15.410 8.484 -15.196 1.00 0.00 H new ATOM 0 HA SER A 83 15.004 6.201 -13.493 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.614 7.484 -11.407 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.972 6.908 -12.354 1.00 0.00 H new ATOM 0 HG SER A 83 17.243 9.104 -11.676 1.00 0.00 H new ATOM 1240 N ASP A 84 13.016 7.618 -12.366 1.00 0.00 N ATOM 1241 CA ASP A 84 11.695 8.228 -12.144 1.00 0.00 C ATOM 1242 C ASP A 84 11.792 9.684 -11.647 1.00 0.00 C ATOM 1243 O ASP A 84 12.508 9.980 -10.691 1.00 0.00 O ATOM 1244 CB ASP A 84 10.866 7.373 -11.174 1.00 0.00 C ATOM 1245 CG ASP A 84 9.453 7.957 -11.019 1.00 0.00 C ATOM 1246 OD1 ASP A 84 8.608 7.716 -11.914 1.00 0.00 O ATOM 1247 OD2 ASP A 84 9.202 8.681 -10.027 1.00 0.00 O ATOM 0 H ASP A 84 13.245 6.876 -11.705 1.00 0.00 H new ATOM 0 HA ASP A 84 11.189 8.260 -13.109 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.805 6.349 -11.543 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.358 7.333 -10.202 1.00 0.00 H new ATOM 1252 N SER A 85 11.054 10.597 -12.285 1.00 0.00 N ATOM 1253 CA SER A 85 11.015 12.021 -11.926 1.00 0.00 C ATOM 1254 C SER A 85 10.157 12.329 -10.694 1.00 0.00 C ATOM 1255 O SER A 85 10.605 13.032 -9.788 1.00 0.00 O ATOM 1256 CB SER A 85 10.512 12.833 -13.128 1.00 0.00 C ATOM 1257 OG SER A 85 9.301 12.280 -13.630 1.00 0.00 O ATOM 0 H SER A 85 10.457 10.365 -13.079 1.00 0.00 H new ATOM 0 HA SER A 85 12.034 12.304 -11.662 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.350 13.870 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.269 12.839 -13.913 1.00 0.00 H new ATOM 0 HG SER A 85 8.992 12.809 -14.395 1.00 0.00 H new ATOM 1263 N GLN A 86 8.930 11.804 -10.636 1.00 0.00 N ATOM 1264 CA GLN A 86 7.919 12.227 -9.656 1.00 0.00 C ATOM 1265 C GLN A 86 8.210 11.807 -8.211 1.00 0.00 C ATOM 1266 O GLN A 86 8.107 12.645 -7.316 1.00 0.00 O ATOM 1267 CB GLN A 86 6.524 11.740 -10.090 1.00 0.00 C ATOM 1268 CG GLN A 86 6.071 12.349 -11.431 1.00 0.00 C ATOM 1269 CD GLN A 86 4.656 11.934 -11.846 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.945 11.195 -11.176 1.00 0.00 O ATOM 1271 NE2 GLN A 86 4.184 12.398 -12.984 1.00 0.00 N ATOM 0 H GLN A 86 8.606 11.072 -11.268 1.00 0.00 H new ATOM 0 HA GLN A 86 7.954 13.316 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.533 10.653 -10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.799 11.994 -9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.116 13.436 -11.361 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.772 12.051 -12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.757 13.015 -13.560 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.246 12.140 -13.290 1.00 0.00 H new ATOM 1280 N GLN A 87 8.610 10.559 -7.951 1.00 0.00 N ATOM 1281 CA GLN A 87 8.902 10.096 -6.582 1.00 0.00 C ATOM 1282 C GLN A 87 10.134 10.810 -6.010 1.00 0.00 C ATOM 1283 O GLN A 87 10.102 11.312 -4.881 1.00 0.00 O ATOM 1284 CB GLN A 87 9.090 8.570 -6.575 1.00 0.00 C ATOM 1285 CG GLN A 87 7.799 7.813 -6.937 1.00 0.00 C ATOM 1286 CD GLN A 87 7.972 6.291 -7.004 1.00 0.00 C ATOM 1287 OE1 GLN A 87 9.038 5.724 -6.793 1.00 0.00 O ATOM 1288 NE2 GLN A 87 6.917 5.560 -7.303 1.00 0.00 N ATOM 0 H GLN A 87 8.741 9.846 -8.669 1.00 0.00 H new ATOM 0 HA GLN A 87 8.056 10.344 -5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.875 8.301 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.428 8.254 -5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.031 8.050 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.437 8.171 -7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.019 6.010 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.998 4.545 -7.355 1.00 0.00 H new ATOM 1297 N ILE A 88 11.187 10.922 -6.832 1.00 0.00 N ATOM 1298 CA ILE A 88 12.417 11.655 -6.499 1.00 0.00 C ATOM 1299 C ILE A 88 12.102 13.123 -6.204 1.00 0.00 C ATOM 1300 O ILE A 88 12.484 13.622 -5.149 1.00 0.00 O ATOM 1301 CB ILE A 88 13.450 11.511 -7.648 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.869 10.043 -7.892 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.700 12.383 -7.430 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.610 9.344 -6.748 1.00 0.00 C ATOM 0 H ILE A 88 11.209 10.500 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 88 12.856 11.227 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 88 12.936 11.869 -8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.973 9.466 -8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.503 10.012 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.390 12.245 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.407 13.431 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 88 15.189 12.091 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.849 8.322 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.531 9.883 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.978 9.329 -5.860 1.00 0.00 H new ATOM 1316 N LEU A 89 11.347 13.808 -7.078 1.00 0.00 N ATOM 1317 CA LEU A 89 11.000 15.215 -6.870 1.00 0.00 C ATOM 1318 C LEU A 89 10.120 15.397 -5.637 1.00 0.00 C ATOM 1319 O LEU A 89 10.424 16.254 -4.818 1.00 0.00 O ATOM 1320 CB LEU A 89 10.359 15.782 -8.158 1.00 0.00 C ATOM 1321 CG LEU A 89 10.055 17.297 -8.214 1.00 0.00 C ATOM 1322 CD1 LEU A 89 8.750 17.690 -7.520 1.00 0.00 C ATOM 1323 CD2 LEU A 89 11.184 18.163 -7.646 1.00 0.00 C ATOM 0 H LEU A 89 10.967 13.406 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 89 11.907 15.786 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.019 15.543 -8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.424 15.248 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 89 9.955 17.492 -9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.605 18.767 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.915 17.175 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.798 17.408 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.906 19.215 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.353 17.901 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.097 17.990 -8.216 1.00 0.00 H new ATOM 1335 N ASN A 90 9.081 14.581 -5.445 1.00 0.00 N ATOM 1336 CA ASN A 90 8.188 14.729 -4.298 1.00 0.00 C ATOM 1337 C ASN A 90 8.945 14.552 -2.974 1.00 0.00 C ATOM 1338 O ASN A 90 8.906 15.452 -2.139 1.00 0.00 O ATOM 1339 CB ASN A 90 6.986 13.776 -4.435 1.00 0.00 C ATOM 1340 CG ASN A 90 5.871 14.081 -3.443 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.717 15.192 -2.956 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.034 13.118 -3.138 1.00 0.00 N ATOM 0 H ASN A 90 8.839 13.812 -6.070 1.00 0.00 H new ATOM 0 HA ASN A 90 7.794 15.745 -4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.591 13.841 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.324 12.750 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.260 13.298 -2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.157 12.189 -3.541 1.00 0.00 H new ATOM 1349 N ARG A 91 9.740 13.484 -2.803 1.00 0.00 N ATOM 1350 CA ARG A 91 10.481 13.285 -1.540 1.00 0.00 C ATOM 1351 C ARG A 91 11.628 14.289 -1.350 1.00 0.00 C ATOM 1352 O ARG A 91 11.848 14.730 -0.225 1.00 0.00 O ATOM 1353 CB ARG A 91 10.887 11.803 -1.410 1.00 0.00 C ATOM 1354 CG ARG A 91 11.560 11.398 -0.081 1.00 0.00 C ATOM 1355 CD ARG A 91 10.880 11.894 1.211 1.00 0.00 C ATOM 1356 NE ARG A 91 9.415 11.705 1.215 1.00 0.00 N ATOM 1357 CZ ARG A 91 8.689 10.769 1.790 1.00 0.00 C ATOM 1358 NH1 ARG A 91 9.195 9.742 2.414 1.00 0.00 N ATOM 1359 NH2 ARG A 91 7.399 10.900 1.734 1.00 0.00 N ATOM 0 H ARG A 91 9.887 12.758 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 91 9.822 13.509 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.996 11.190 -1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.567 11.560 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.614 10.310 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.585 11.767 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.309 11.367 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.102 12.953 1.346 1.00 0.00 H new ATOM 0 HE ARG A 91 8.886 12.405 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.207 9.631 2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.579 9.050 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.988 11.703 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.796 10.199 2.165 1.00 0.00 H new ATOM 1373 N LEU A 92 12.270 14.755 -2.425 1.00 0.00 N ATOM 1374 CA LEU A 92 13.262 15.836 -2.341 1.00 0.00 C ATOM 1375 C LEU A 92 12.614 17.182 -1.963 1.00 0.00 C ATOM 1376 O LEU A 92 13.148 17.906 -1.124 1.00 0.00 O ATOM 1377 CB LEU A 92 14.009 15.896 -3.687 1.00 0.00 C ATOM 1378 CG LEU A 92 15.187 16.878 -3.757 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.340 16.475 -2.837 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.704 16.903 -5.191 1.00 0.00 C ATOM 0 H LEU A 92 12.121 14.400 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 92 13.974 15.630 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.379 14.898 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.294 16.161 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 92 14.828 17.855 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.147 17.203 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.989 16.445 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.707 15.490 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.543 17.596 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.033 15.904 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.907 17.228 -5.860 1.00 0.00 H new ATOM 1392 N ARG A 93 11.431 17.487 -2.516 1.00 0.00 N ATOM 1393 CA ARG A 93 10.637 18.686 -2.191 1.00 0.00 C ATOM 1394 C ARG A 93 10.155 18.646 -0.743 1.00 0.00 C ATOM 1395 O ARG A 93 10.276 19.642 -0.046 1.00 0.00 O ATOM 1396 CB ARG A 93 9.463 18.777 -3.183 1.00 0.00 C ATOM 1397 CG ARG A 93 8.538 19.995 -2.981 1.00 0.00 C ATOM 1398 CD ARG A 93 7.204 19.821 -3.727 1.00 0.00 C ATOM 1399 NE ARG A 93 6.406 18.705 -3.165 1.00 0.00 N ATOM 1400 CZ ARG A 93 5.685 18.703 -2.057 1.00 0.00 C ATOM 1401 NH1 ARG A 93 5.497 19.767 -1.332 1.00 0.00 N ATOM 1402 NH2 ARG A 93 5.121 17.615 -1.634 1.00 0.00 N ATOM 0 H ARG A 93 10.988 16.895 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 93 11.255 19.579 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.863 18.807 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.867 17.868 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.345 20.134 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.039 20.896 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.630 20.746 -3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.399 19.634 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 93 6.414 17.835 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.915 20.655 -1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.932 19.713 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.231 16.747 -2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.567 17.627 -0.777 1.00 0.00 H new ATOM 1416 N GLU A 94 9.688 17.495 -0.263 1.00 0.00 N ATOM 1417 CA GLU A 94 9.291 17.336 1.140 1.00 0.00 C ATOM 1418 C GLU A 94 10.481 17.587 2.082 1.00 0.00 C ATOM 1419 O GLU A 94 10.399 18.449 2.958 1.00 0.00 O ATOM 1420 CB GLU A 94 8.692 15.941 1.375 1.00 0.00 C ATOM 1421 CG GLU A 94 7.305 15.796 0.740 1.00 0.00 C ATOM 1422 CD GLU A 94 6.733 14.393 0.996 1.00 0.00 C ATOM 1423 OE1 GLU A 94 7.307 13.392 0.501 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.720 14.272 1.726 1.00 0.00 O ATOM 0 H GLU A 94 9.574 16.653 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 94 8.526 18.080 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.360 15.185 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.621 15.753 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.632 16.549 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.370 15.977 -0.333 1.00 0.00 H new ATOM 1431 N ARG A 95 11.619 16.914 1.842 1.00 0.00 N ATOM 1432 CA ARG A 95 12.822 17.059 2.682 1.00 0.00 C ATOM 1433 C ARG A 95 13.392 18.486 2.698 1.00 0.00 C ATOM 1434 O ARG A 95 13.797 18.967 3.757 1.00 0.00 O ATOM 1435 CB ARG A 95 13.870 16.028 2.229 1.00 0.00 C ATOM 1436 CG ARG A 95 15.137 16.078 3.101 1.00 0.00 C ATOM 1437 CD ARG A 95 16.080 14.921 2.782 1.00 0.00 C ATOM 1438 NE ARG A 95 15.556 13.636 3.277 1.00 0.00 N ATOM 1439 CZ ARG A 95 15.929 12.439 2.860 1.00 0.00 C ATOM 1440 NH1 ARG A 95 16.829 12.242 1.947 1.00 0.00 N ATOM 1441 NH2 ARG A 95 15.393 11.367 3.355 1.00 0.00 N ATOM 0 H ARG A 95 11.732 16.260 1.068 1.00 0.00 H new ATOM 0 HA ARG A 95 12.536 16.865 3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.438 15.028 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.137 16.215 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.653 17.025 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.857 16.041 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.230 14.861 1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.055 15.113 3.230 1.00 0.00 H new ATOM 0 HE ARG A 95 14.843 13.674 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.293 13.037 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.073 11.292 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.674 11.442 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.690 10.449 3.024 1.00 0.00 H new ATOM 1455 N VAL A 96 13.430 19.159 1.544 1.00 0.00 N ATOM 1456 CA VAL A 96 14.050 20.493 1.404 1.00 0.00 C ATOM 1457 C VAL A 96 13.084 21.639 1.738 1.00 0.00 C ATOM 1458 O VAL A 96 13.490 22.606 2.387 1.00 0.00 O ATOM 1459 CB VAL A 96 14.665 20.656 0.001 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.216 22.065 -0.249 1.00 0.00 C ATOM 1461 CG2 VAL A 96 15.833 19.676 -0.189 1.00 0.00 C ATOM 0 H VAL A 96 13.033 18.799 0.676 1.00 0.00 H new ATOM 0 HA VAL A 96 14.850 20.555 2.141 1.00 0.00 H new ATOM 0 HB VAL A 96 13.855 20.459 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.636 22.118 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.410 22.793 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.994 22.286 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.257 19.804 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.600 19.874 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.472 18.654 -0.077 1.00 0.00 H new ATOM 1471 N SER A 97 11.813 21.536 1.335 1.00 0.00 N ATOM 1472 CA SER A 97 10.830 22.631 1.390 1.00 0.00 C ATOM 1473 C SER A 97 9.691 22.427 2.412 1.00 0.00 C ATOM 1474 O SER A 97 8.970 23.386 2.706 1.00 0.00 O ATOM 1475 CB SER A 97 10.236 22.898 -0.003 1.00 0.00 C ATOM 1476 OG SER A 97 11.269 23.104 -0.963 1.00 0.00 O ATOM 0 H SER A 97 11.428 20.672 0.953 1.00 0.00 H new ATOM 0 HA SER A 97 11.393 23.497 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.615 22.055 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.588 23.774 0.035 1.00 0.00 H new ATOM 0 HG SER A 97 10.870 23.270 -1.842 1.00 0.00 H new ATOM 1482 N GLY A 98 9.530 21.224 2.982 1.00 0.00 N ATOM 1483 CA GLY A 98 8.543 20.905 4.025 1.00 0.00 C ATOM 1484 C GLY A 98 7.607 19.748 3.649 1.00 0.00 C ATOM 1485 O GLY A 98 7.106 19.673 2.523 1.00 0.00 O ATOM 0 H GLY A 98 10.101 20.420 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.068 20.652 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.945 21.793 4.232 1.00 0.00 H new ATOM 1489 N SER A 99 7.354 18.841 4.597 1.00 0.00 N ATOM 1490 CA SER A 99 6.622 17.577 4.393 1.00 0.00 C ATOM 1491 C SER A 99 5.096 17.761 4.347 1.00 0.00 C ATOM 1492 O SER A 99 4.371 17.364 5.262 1.00 0.00 O ATOM 1493 CB SER A 99 7.037 16.549 5.454 1.00 0.00 C ATOM 1494 OG SER A 99 8.433 16.298 5.373 1.00 0.00 O ATOM 0 H SER A 99 7.661 18.966 5.562 1.00 0.00 H new ATOM 0 HA SER A 99 6.900 17.200 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.783 16.918 6.448 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.484 15.621 5.308 1.00 0.00 H new ATOM 0 HG SER A 99 8.688 15.642 6.055 1.00 0.00 H new ATOM 1500 N THR A 100 4.604 18.376 3.267 1.00 0.00 N ATOM 1501 CA THR A 100 3.175 18.581 2.973 1.00 0.00 C ATOM 1502 C THR A 100 2.883 18.425 1.478 1.00 0.00 C ATOM 1503 O THR A 100 3.764 18.644 0.642 1.00 0.00 O ATOM 1504 CB THR A 100 2.688 19.947 3.501 1.00 0.00 C ATOM 1505 OG1 THR A 100 1.303 20.094 3.249 1.00 0.00 O ATOM 1506 CG2 THR A 100 3.394 21.148 2.868 1.00 0.00 C ATOM 0 H THR A 100 5.211 18.761 2.543 1.00 0.00 H new ATOM 0 HA THR A 100 2.616 17.805 3.497 1.00 0.00 H new ATOM 0 HB THR A 100 2.918 19.943 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.999 20.962 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.995 22.070 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.464 21.089 3.069 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.227 21.142 1.791 1.00 0.00 H new ATOM 1514 N ALA A 101 1.646 18.061 1.136 1.00 0.00 N ATOM 1515 CA ALA A 101 1.133 17.968 -0.235 1.00 0.00 C ATOM 1516 C ALA A 101 -0.192 18.747 -0.436 1.00 0.00 C ATOM 1517 O ALA A 101 -0.913 18.517 -1.411 1.00 0.00 O ATOM 1518 CB ALA A 101 1.025 16.478 -0.595 1.00 0.00 C ATOM 0 H ALA A 101 0.945 17.813 1.834 1.00 0.00 H new ATOM 0 HA ALA A 101 1.826 18.454 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 101 0.645 16.376 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.009 16.015 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.344 15.985 0.098 1.00 0.00 H new ATOM 1524 N GLN A 102 -0.534 19.657 0.487 1.00 0.00 N ATOM 1525 CA GLN A 102 -1.776 20.446 0.447 1.00 0.00 C ATOM 1526 C GLN A 102 -1.748 21.524 -0.657 1.00 0.00 C ATOM 1527 O GLN A 102 -0.687 22.048 -1.012 1.00 0.00 O ATOM 1528 CB GLN A 102 -2.039 21.082 1.824 1.00 0.00 C ATOM 1529 CG GLN A 102 -2.324 20.035 2.917 1.00 0.00 C ATOM 1530 CD GLN A 102 -2.619 20.643 4.292 1.00 0.00 C ATOM 1531 OE1 GLN A 102 -2.601 21.848 4.513 1.00 0.00 O ATOM 1532 NE2 GLN A 102 -2.906 19.826 5.287 1.00 0.00 N ATOM 0 H GLN A 102 0.052 19.870 1.294 1.00 0.00 H new ATOM 0 HA GLN A 102 -2.592 19.766 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.175 21.679 2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.887 21.763 1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.173 19.425 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -1.466 19.368 3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.928 18.818 5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.106 20.202 6.214 1.00 0.00 H new ATOM 1541 N SER A 103 -2.926 21.880 -1.182 1.00 0.00 N ATOM 1542 CA SER A 103 -3.099 22.895 -2.237 1.00 0.00 C ATOM 1543 C SER A 103 -2.772 24.322 -1.763 1.00 0.00 C ATOM 1544 O SER A 103 -2.961 24.660 -0.587 1.00 0.00 O ATOM 1545 CB SER A 103 -4.533 22.863 -2.783 1.00 0.00 C ATOM 1546 OG SER A 103 -4.859 21.565 -3.267 1.00 0.00 O ATOM 0 H SER A 103 -3.807 21.464 -0.881 1.00 0.00 H new ATOM 0 HA SER A 103 -2.388 22.639 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.233 23.150 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.638 23.593 -3.586 1.00 0.00 H new ATOM 0 HG SER A 103 -5.777 21.565 -3.609 1.00 0.00 H new ATOM 1552 N ALA A 104 -2.310 25.173 -2.690 1.00 0.00 N ATOM 1553 CA ALA A 104 -2.027 26.595 -2.456 1.00 0.00 C ATOM 1554 C ALA A 104 -3.307 27.438 -2.250 1.00 0.00 C ATOM 1555 O ALA A 104 -4.302 27.236 -2.988 1.00 0.00 O ATOM 1556 CB ALA A 104 -1.162 27.126 -3.608 1.00 0.00 C ATOM 1557 OXT ALA A 104 -3.307 28.317 -1.356 1.00 0.00 O ATOM 0 H ALA A 104 -2.118 24.883 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.476 26.688 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.946 28.182 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.227 26.566 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.698 27.007 -4.550 1.00 0.00 H new TER 1563 ALA A 104