USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot 110:sc= 0.0387 USER MOD Set 1.2: B 131 THR OG1 : rot -144:sc= 0.0377 USER MOD Set 2.1: B 114 TYR OH : rot -33:sc= 0.144 USER MOD Set 2.2: B 123 ASN : amide:sc= -1.58 K(o=-1.4,f=-5.1!) USER MOD Set 3.1: A 14 TYR OH : rot -31:sc= -0.812 USER MOD Set 3.2: A 23 ASN : amide:sc= -3.35 K(o=-4.2,f=-8.7!) USER MOD Set 4.1: A 13 SER OG : rot 175:sc= 1.21 USER MOD Set 4.2: B 133 GLN : amide:sc= 0.886 K(o=2.1,f=-2.6!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.447 X(o=0.45,f=0) USER MOD Single : A 6 THR OG1 : rot -133:sc= -2.68! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -129:sc= 1.24 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 157:sc= 0.744 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -160:sc= -13.2! (180deg=-15!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.8!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.2) USER MOD Single : B 106 THR OG1 : rot -127:sc= -3.13! USER MOD Single : B 108 THR OG1 : rot 48:sc= 0.0928 USER MOD Single : B 111 SER OG : rot 13:sc= 0.84 USER MOD Single : B 113 SER OG : rot 90:sc= -0.879 USER MOD Single : B 115 GLN : amide:sc= -0.585 X(o=-0.58,f=-0.58) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 138:sc= 1.16 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -97:sc= -0.111 USER MOD Single : B 130 THR OG1 : rot 100:sc= 1.14 USER MOD Single : B 132 MET CE :methyl -172:sc= -16.9! (180deg=-17.1!) USER MOD Single : B 134 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 3.832 -12.226 13.692 1.00 0.00 N ATOM 21 CA LYS A 2 3.516 -11.183 12.711 1.00 0.00 C ATOM 22 C LYS A 2 2.234 -11.513 11.946 1.00 0.00 C ATOM 23 O LYS A 2 1.791 -12.664 11.922 1.00 0.00 O ATOM 24 CB LYS A 2 4.678 -10.996 11.731 1.00 0.00 C ATOM 25 CG LYS A 2 5.300 -9.610 11.788 1.00 0.00 C ATOM 26 CD LYS A 2 6.819 -9.678 11.797 1.00 0.00 C ATOM 27 CE LYS A 2 7.435 -8.407 11.243 1.00 0.00 C ATOM 28 NZ LYS A 2 7.862 -7.478 12.328 1.00 0.00 N ATOM 0 HA LYS A 2 3.359 -10.252 13.256 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.446 -11.740 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.323 -11.185 10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.966 -9.025 10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.953 -9.091 12.682 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.171 -9.840 12.816 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.150 -10.532 11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.295 -8.661 10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.714 -7.905 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.278 -6.622 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.037 -7.216 12.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.569 -7.948 12.929 1.00 0.00 H new ATOM 42 N GLN A 3 1.641 -10.502 11.324 1.00 0.00 N ATOM 43 CA GLN A 3 0.411 -10.696 10.573 1.00 0.00 C ATOM 44 C GLN A 3 0.545 -10.243 9.138 1.00 0.00 C ATOM 45 O GLN A 3 0.778 -9.067 8.856 1.00 0.00 O ATOM 46 CB GLN A 3 -0.754 -9.965 11.254 1.00 0.00 C ATOM 47 CG GLN A 3 -2.001 -9.889 10.390 1.00 0.00 C ATOM 48 CD GLN A 3 -2.731 -11.214 10.269 1.00 0.00 C ATOM 49 OE1 GLN A 3 -3.226 -11.754 11.254 1.00 0.00 O ATOM 50 NE2 GLN A 3 -2.804 -11.739 9.054 1.00 0.00 N ATOM 0 H GLN A 3 1.991 -9.544 11.325 1.00 0.00 H new ATOM 0 HA GLN A 3 0.205 -11.766 10.561 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.997 -10.473 12.187 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.438 -8.955 11.514 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.679 -9.146 10.809 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.724 -9.543 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.378 -11.256 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.286 -12.626 8.910 1.00 0.00 H new ATOM 59 N ARG A 4 0.375 -11.186 8.225 1.00 0.00 N ATOM 60 CA ARG A 4 0.462 -10.869 6.822 1.00 0.00 C ATOM 61 C ARG A 4 -0.821 -10.227 6.349 1.00 0.00 C ATOM 62 O ARG A 4 -1.886 -10.850 6.329 1.00 0.00 O ATOM 63 CB ARG A 4 0.759 -12.104 5.982 1.00 0.00 C ATOM 64 CG ARG A 4 1.748 -11.814 4.870 1.00 0.00 C ATOM 65 CD ARG A 4 2.321 -13.089 4.274 1.00 0.00 C ATOM 66 NE ARG A 4 3.778 -13.185 4.437 1.00 0.00 N ATOM 67 CZ ARG A 4 4.398 -13.413 5.588 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.715 -13.622 6.695 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.711 -13.460 5.619 1.00 0.00 N ATOM 0 H ARG A 4 0.178 -12.165 8.434 1.00 0.00 H new ATOM 0 HA ARG A 4 1.288 -10.169 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.156 -12.891 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.169 -12.481 5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.255 -11.237 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.559 -11.198 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.849 -13.950 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.074 -13.132 3.213 1.00 0.00 H new ATOM 0 HE ARG A 4 4.355 -13.068 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.695 -13.610 6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.206 -13.796 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.247 -13.322 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.194 -13.635 6.500 1.00 0.00 H new ATOM 83 N ILE A 5 -0.699 -8.983 5.952 1.00 0.00 N ATOM 84 CA ILE A 5 -1.815 -8.223 5.437 1.00 0.00 C ATOM 85 C ILE A 5 -1.569 -8.028 3.966 1.00 0.00 C ATOM 86 O ILE A 5 -0.509 -7.541 3.577 1.00 0.00 O ATOM 87 CB ILE A 5 -1.960 -6.862 6.146 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.253 -5.758 5.360 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.392 -6.957 7.555 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.621 -4.366 5.801 1.00 0.00 C ATOM 0 H ILE A 5 0.180 -8.466 5.977 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.746 -8.761 5.616 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.019 -6.608 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.175 -5.887 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.491 -5.869 4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.495 -5.994 8.055 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.936 -7.717 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.337 -7.228 7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.079 -3.638 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.693 -4.216 5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.357 -4.235 6.850 1.00 0.00 H new ATOM 102 N THR A 6 -2.495 -8.453 3.143 1.00 0.00 N ATOM 103 CA THR A 6 -2.284 -8.351 1.716 1.00 0.00 C ATOM 104 C THR A 6 -3.476 -7.733 0.990 1.00 0.00 C ATOM 105 O THR A 6 -4.590 -8.251 1.056 1.00 0.00 O ATOM 106 CB THR A 6 -1.910 -9.740 1.160 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.701 -10.096 0.044 1.00 0.00 O ATOM 108 CG2 THR A 6 -2.023 -10.859 2.178 1.00 0.00 C ATOM 0 H THR A 6 -3.385 -8.865 3.425 1.00 0.00 H new ATOM 0 HA THR A 6 -1.456 -7.666 1.534 1.00 0.00 H new ATOM 0 HB THR A 6 -0.864 -9.634 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.027 -11.014 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.744 -11.804 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.356 -10.657 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.050 -10.921 2.538 1.00 0.00 H new ATOM 116 N VAL A 7 -3.200 -6.680 0.220 1.00 0.00 N ATOM 117 CA VAL A 7 -4.206 -6.024 -0.619 1.00 0.00 C ATOM 118 C VAL A 7 -3.990 -6.486 -2.057 1.00 0.00 C ATOM 119 O VAL A 7 -3.005 -6.095 -2.685 1.00 0.00 O ATOM 120 CB VAL A 7 -4.181 -4.452 -0.521 1.00 0.00 C ATOM 121 CG1 VAL A 7 -2.825 -3.920 -0.070 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.589 -3.775 -1.839 1.00 0.00 C ATOM 0 H VAL A 7 -2.274 -6.257 0.160 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.193 -6.313 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.921 -4.198 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.860 -2.832 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.585 -4.322 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.059 -4.225 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.555 -2.692 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.900 -4.073 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.601 -4.079 -2.106 1.00 0.00 H new ATOM 132 N THR A 8 -4.867 -7.336 -2.580 1.00 0.00 N ATOM 133 CA THR A 8 -4.702 -7.824 -3.942 1.00 0.00 C ATOM 134 C THR A 8 -4.980 -6.718 -4.952 1.00 0.00 C ATOM 135 O THR A 8 -6.113 -6.532 -5.397 1.00 0.00 O ATOM 136 CB THR A 8 -5.588 -9.034 -4.195 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.861 -8.873 -3.606 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.995 -10.311 -3.663 1.00 0.00 C ATOM 0 H THR A 8 -5.686 -7.696 -2.090 1.00 0.00 H new ATOM 0 HA THR A 8 -3.666 -8.137 -4.067 1.00 0.00 H new ATOM 0 HB THR A 8 -5.675 -9.105 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.408 -9.666 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.670 -11.141 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.035 -10.495 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.850 -10.224 -2.586 1.00 0.00 H new ATOM 146 N VAL A 9 -3.929 -5.985 -5.289 1.00 0.00 N ATOM 147 CA VAL A 9 -4.013 -4.876 -6.230 1.00 0.00 C ATOM 148 C VAL A 9 -3.935 -5.355 -7.682 1.00 0.00 C ATOM 149 O VAL A 9 -4.397 -6.453 -7.996 1.00 0.00 O ATOM 150 CB VAL A 9 -2.893 -3.862 -5.963 1.00 0.00 C ATOM 151 CG1 VAL A 9 -2.885 -3.455 -4.502 1.00 0.00 C ATOM 152 CG2 VAL A 9 -1.558 -4.454 -6.364 1.00 0.00 C ATOM 0 H VAL A 9 -2.992 -6.142 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.982 -4.399 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.072 -2.969 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.085 -2.735 -4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.842 -3.002 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.722 -4.335 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.766 -3.730 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.372 -5.357 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.574 -4.702 -7.425 1.00 0.00 H new ATOM 162 N ASP A 10 -3.404 -4.490 -8.569 1.00 0.00 N ATOM 163 CA ASP A 10 -3.314 -4.760 -10.008 1.00 0.00 C ATOM 164 C ASP A 10 -4.539 -4.137 -10.694 1.00 0.00 C ATOM 165 O ASP A 10 -4.618 -4.036 -11.919 1.00 0.00 O ATOM 166 CB ASP A 10 -3.181 -6.261 -10.283 1.00 0.00 C ATOM 167 CG ASP A 10 -2.945 -6.599 -11.744 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.216 -5.848 -12.426 1.00 0.00 O ATOM 169 OD2 ASP A 10 -3.484 -7.631 -12.199 1.00 0.00 O ATOM 0 H ASP A 10 -3.025 -3.582 -8.301 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.414 -4.305 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.356 -6.658 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.087 -6.764 -9.945 1.00 0.00 H new ATOM 174 N SER A 11 -5.463 -3.658 -9.851 1.00 0.00 N ATOM 175 CA SER A 11 -6.668 -2.968 -10.282 1.00 0.00 C ATOM 176 C SER A 11 -6.769 -1.635 -9.535 1.00 0.00 C ATOM 177 O SER A 11 -6.826 -0.580 -10.163 1.00 0.00 O ATOM 178 CB SER A 11 -7.919 -3.814 -10.024 1.00 0.00 C ATOM 179 OG SER A 11 -9.092 -3.146 -10.473 1.00 0.00 O ATOM 0 H SER A 11 -5.386 -3.744 -8.838 1.00 0.00 H new ATOM 0 HA SER A 11 -6.607 -2.792 -11.356 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.825 -4.772 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.004 -4.027 -8.958 1.00 0.00 H new ATOM 0 HG SER A 11 -9.876 -3.708 -10.298 1.00 0.00 H new ATOM 185 N ASP A 12 -6.826 -1.703 -8.188 1.00 0.00 N ATOM 186 CA ASP A 12 -6.954 -0.509 -7.344 1.00 0.00 C ATOM 187 C ASP A 12 -5.984 0.615 -7.768 1.00 0.00 C ATOM 188 O ASP A 12 -6.315 1.385 -8.667 1.00 0.00 O ATOM 189 CB ASP A 12 -6.782 -0.883 -5.866 1.00 0.00 C ATOM 190 CG ASP A 12 -7.449 -2.191 -5.508 1.00 0.00 C ATOM 191 OD1 ASP A 12 -6.872 -3.245 -5.835 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.540 -2.161 -4.902 1.00 0.00 O ATOM 0 H ASP A 12 -6.785 -2.578 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.959 -0.109 -7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.719 -0.948 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.196 -0.088 -5.245 1.00 0.00 H new ATOM 197 N SER A 13 -4.801 0.742 -7.130 1.00 0.00 N ATOM 198 CA SER A 13 -3.833 1.806 -7.485 1.00 0.00 C ATOM 199 C SER A 13 -2.524 1.655 -6.685 1.00 0.00 C ATOM 200 O SER A 13 -1.926 2.639 -6.251 1.00 0.00 O ATOM 201 CB SER A 13 -4.436 3.194 -7.227 1.00 0.00 C ATOM 202 OG SER A 13 -4.592 3.924 -8.438 1.00 0.00 O ATOM 0 H SER A 13 -4.494 0.129 -6.375 1.00 0.00 H new ATOM 0 HA SER A 13 -3.607 1.705 -8.547 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.404 3.087 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.794 3.751 -6.545 1.00 0.00 H new ATOM 0 HG SER A 13 -5.056 4.768 -8.254 1.00 0.00 H new ATOM 208 N TYR A 14 -2.101 0.406 -6.490 1.00 0.00 N ATOM 209 CA TYR A 14 -0.883 0.071 -5.735 1.00 0.00 C ATOM 210 C TYR A 14 0.405 0.194 -6.570 1.00 0.00 C ATOM 211 O TYR A 14 1.423 0.684 -6.083 1.00 0.00 O ATOM 212 CB TYR A 14 -1.013 -1.355 -5.238 1.00 0.00 C ATOM 213 CG TYR A 14 0.277 -2.118 -5.269 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.655 -2.808 -6.404 1.00 0.00 C ATOM 215 CD2 TYR A 14 1.107 -2.144 -4.170 1.00 0.00 C ATOM 216 CE1 TYR A 14 1.826 -3.511 -6.451 1.00 0.00 C ATOM 217 CE2 TYR A 14 2.290 -2.843 -4.195 1.00 0.00 C ATOM 218 CZ TYR A 14 2.650 -3.530 -5.343 1.00 0.00 C ATOM 219 OH TYR A 14 3.833 -4.224 -5.388 1.00 0.00 O ATOM 0 H TYR A 14 -2.594 -0.411 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.796 0.784 -4.916 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.394 -1.342 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.750 -1.878 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.012 -2.792 -7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.824 -1.608 -3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.104 -4.047 -7.346 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.933 -2.857 -3.328 1.00 0.00 H new ATOM 0 HH TYR A 14 3.737 -4.995 -5.985 1.00 0.00 H new ATOM 229 N GLN A 15 0.377 -0.323 -7.800 1.00 0.00 N ATOM 230 CA GLN A 15 1.573 -0.349 -8.655 1.00 0.00 C ATOM 231 C GLN A 15 2.304 1.001 -8.749 1.00 0.00 C ATOM 232 O GLN A 15 3.530 1.031 -8.672 1.00 0.00 O ATOM 233 CB GLN A 15 1.215 -0.856 -10.053 1.00 0.00 C ATOM 234 CG GLN A 15 0.557 -2.232 -10.063 1.00 0.00 C ATOM 235 CD GLN A 15 -0.535 -2.356 -11.109 1.00 0.00 C ATOM 236 OE1 GLN A 15 -1.228 -1.390 -11.419 1.00 0.00 O ATOM 237 NE2 GLN A 15 -0.693 -3.550 -11.661 1.00 0.00 N ATOM 0 H GLN A 15 -0.455 -0.729 -8.228 1.00 0.00 H new ATOM 0 HA GLN A 15 2.270 -1.036 -8.175 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.544 -0.140 -10.527 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.121 -0.893 -10.658 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.317 -2.991 -10.247 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.135 -2.435 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.097 -4.327 -11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.411 -3.692 -12.371 1.00 0.00 H new ATOM 246 N LEU A 16 1.581 2.107 -8.912 1.00 0.00 N ATOM 247 CA LEU A 16 2.224 3.430 -9.011 1.00 0.00 C ATOM 248 C LEU A 16 3.175 3.706 -7.823 1.00 0.00 C ATOM 249 O LEU A 16 4.188 4.384 -7.977 1.00 0.00 O ATOM 250 CB LEU A 16 1.160 4.531 -9.116 1.00 0.00 C ATOM 251 CG LEU A 16 1.335 5.500 -10.292 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.246 6.559 -10.282 1.00 0.00 C ATOM 253 CD2 LEU A 16 2.706 6.155 -10.253 1.00 0.00 C ATOM 0 H LEU A 16 0.563 2.122 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 16 2.831 3.432 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.180 4.060 -9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.162 5.105 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 16 1.253 4.926 -11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.389 7.236 -11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.729 6.079 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.296 7.123 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.807 6.838 -11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.818 6.710 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.478 5.388 -10.313 1.00 0.00 H new ATOM 265 N LEU A 17 2.851 3.145 -6.657 1.00 0.00 N ATOM 266 CA LEU A 17 3.708 3.317 -5.473 1.00 0.00 C ATOM 267 C LEU A 17 4.935 2.415 -5.530 1.00 0.00 C ATOM 268 O LEU A 17 6.069 2.876 -5.384 1.00 0.00 O ATOM 269 CB LEU A 17 2.964 3.099 -4.179 1.00 0.00 C ATOM 270 CG LEU A 17 2.838 4.354 -3.312 1.00 0.00 C ATOM 271 CD1 LEU A 17 2.255 4.007 -1.965 1.00 0.00 C ATOM 272 CD2 LEU A 17 4.188 5.033 -3.136 1.00 0.00 C ATOM 0 H LEU A 17 2.018 2.577 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 17 4.037 4.356 -5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.966 2.725 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.473 2.324 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 17 2.168 5.048 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.172 4.910 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.266 3.568 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.905 3.292 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.070 5.922 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.882 4.344 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.581 5.320 -4.111 1.00 0.00 H new ATOM 284 N LYS A 18 4.705 1.130 -5.759 1.00 0.00 N ATOM 285 CA LYS A 18 5.790 0.163 -5.861 1.00 0.00 C ATOM 286 C LYS A 18 6.642 0.457 -7.086 1.00 0.00 C ATOM 287 O LYS A 18 7.826 0.124 -7.139 1.00 0.00 O ATOM 288 CB LYS A 18 5.229 -1.251 -5.924 1.00 0.00 C ATOM 289 CG LYS A 18 4.216 -1.422 -7.034 1.00 0.00 C ATOM 290 CD LYS A 18 4.484 -2.692 -7.832 1.00 0.00 C ATOM 291 CE LYS A 18 4.265 -2.484 -9.320 1.00 0.00 C ATOM 292 NZ LYS A 18 5.473 -2.866 -10.108 1.00 0.00 N ATOM 0 H LYS A 18 3.774 0.731 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 18 6.420 0.245 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.047 -1.957 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.763 -1.497 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.212 -1.460 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.250 -0.558 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.509 -3.020 -7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.830 -3.488 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.412 -3.077 -9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.020 -1.439 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.290 -2.712 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.281 -2.283 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.691 -3.870 -9.944 1.00 0.00 H new ATOM 306 N ALA A 19 6.015 1.104 -8.061 1.00 0.00 N ATOM 307 CA ALA A 19 6.679 1.483 -9.301 1.00 0.00 C ATOM 308 C ALA A 19 7.939 2.299 -9.013 1.00 0.00 C ATOM 309 O ALA A 19 8.915 2.228 -9.757 1.00 0.00 O ATOM 310 CB ALA A 19 5.728 2.268 -10.194 1.00 0.00 C ATOM 0 H ALA A 19 5.034 1.380 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 19 6.974 0.573 -9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.239 2.544 -11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.860 1.653 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.403 3.170 -9.676 1.00 0.00 H new ATOM 316 N TYR A 20 7.911 3.055 -7.913 1.00 0.00 N ATOM 317 CA TYR A 20 9.050 3.865 -7.503 1.00 0.00 C ATOM 318 C TYR A 20 9.985 3.049 -6.614 1.00 0.00 C ATOM 319 O TYR A 20 11.203 3.171 -6.728 1.00 0.00 O ATOM 320 CB TYR A 20 8.592 5.107 -6.737 1.00 0.00 C ATOM 321 CG TYR A 20 7.617 5.982 -7.485 1.00 0.00 C ATOM 322 CD1 TYR A 20 7.956 6.574 -8.694 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.359 6.231 -6.964 1.00 0.00 C ATOM 324 CE1 TYR A 20 7.060 7.389 -9.361 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.463 7.038 -7.624 1.00 0.00 C ATOM 326 CZ TYR A 20 5.816 7.616 -8.820 1.00 0.00 C ATOM 327 OH TYR A 20 4.921 8.433 -9.469 1.00 0.00 O ATOM 0 H TYR A 20 7.106 3.120 -7.291 1.00 0.00 H new ATOM 0 HA TYR A 20 9.577 4.178 -8.404 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.132 4.791 -5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.468 5.701 -6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.933 6.396 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.076 5.783 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.335 7.844 -10.301 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.484 7.217 -7.204 1.00 0.00 H new ATOM 0 HH TYR A 20 4.579 9.106 -8.844 1.00 0.00 H new ATOM 337 N ASP A 21 9.380 2.235 -5.725 1.00 0.00 N ATOM 338 CA ASP A 21 10.106 1.367 -4.772 1.00 0.00 C ATOM 339 C ASP A 21 9.768 1.764 -3.336 1.00 0.00 C ATOM 340 O ASP A 21 10.638 1.991 -2.488 1.00 0.00 O ATOM 341 CB ASP A 21 11.625 1.375 -5.001 1.00 0.00 C ATOM 342 CG ASP A 21 12.321 0.188 -4.363 1.00 0.00 C ATOM 343 OD1 ASP A 21 11.920 -0.962 -4.647 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.273 0.405 -3.585 1.00 0.00 O ATOM 0 H ASP A 21 8.366 2.160 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 21 9.774 0.344 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.826 1.376 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.044 2.297 -4.597 1.00 0.00 H new ATOM 349 N VAL A 22 8.472 1.837 -3.090 1.00 0.00 N ATOM 350 CA VAL A 22 7.921 2.189 -1.788 1.00 0.00 C ATOM 351 C VAL A 22 6.878 1.190 -1.402 1.00 0.00 C ATOM 352 O VAL A 22 6.872 0.675 -0.279 1.00 0.00 O ATOM 353 CB VAL A 22 7.316 3.612 -1.803 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.738 3.974 -0.444 1.00 0.00 C ATOM 355 CG2 VAL A 22 8.353 4.643 -2.239 1.00 0.00 C ATOM 0 H VAL A 22 7.761 1.651 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 22 8.728 2.177 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 22 6.504 3.620 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.319 4.980 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.954 3.264 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.526 3.938 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.901 5.635 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.194 4.629 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.705 4.403 -3.242 1.00 0.00 H new ATOM 365 N ASN A 23 5.999 0.908 -2.333 1.00 0.00 N ATOM 366 CA ASN A 23 4.955 -0.032 -2.101 1.00 0.00 C ATOM 367 C ASN A 23 4.124 0.429 -0.908 1.00 0.00 C ATOM 368 O ASN A 23 3.458 1.464 -0.985 1.00 0.00 O ATOM 369 CB ASN A 23 5.536 -1.445 -1.907 1.00 0.00 C ATOM 370 CG ASN A 23 6.427 -1.879 -3.062 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.285 -1.127 -3.519 1.00 0.00 O ATOM 372 ND2 ASN A 23 6.231 -3.100 -3.538 1.00 0.00 N ATOM 0 H ASN A 23 5.996 1.326 -3.263 1.00 0.00 H new ATOM 0 HA ASN A 23 4.297 -0.084 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.110 -1.473 -0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.718 -2.157 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.802 -3.444 -4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.509 -3.696 -3.133 1.00 0.00 H new ATOM 379 N ILE A 24 4.150 -0.314 0.188 1.00 0.00 N ATOM 380 CA ILE A 24 3.361 0.092 1.341 1.00 0.00 C ATOM 381 C ILE A 24 3.995 -0.158 2.700 1.00 0.00 C ATOM 382 O ILE A 24 3.358 0.148 3.708 1.00 0.00 O ATOM 383 CB ILE A 24 1.956 -0.530 1.343 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.826 -1.611 0.291 1.00 0.00 C ATOM 385 CG2 ILE A 24 0.925 0.546 1.107 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.864 -2.687 0.441 1.00 0.00 C ATOM 0 H ILE A 24 4.689 -1.172 0.304 1.00 0.00 H new ATOM 0 HA ILE A 24 3.304 1.173 1.210 1.00 0.00 H new ATOM 0 HB ILE A 24 1.790 -0.991 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.833 -2.057 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.912 -1.163 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.071 0.103 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.991 1.293 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.109 1.021 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.726 -3.437 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.858 -2.249 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.762 -3.157 1.419 1.00 0.00 H new ATOM 398 N SER A 25 5.199 -0.727 2.756 1.00 0.00 N ATOM 399 CA SER A 25 5.808 -1.007 4.062 1.00 0.00 C ATOM 400 C SER A 25 5.530 0.150 5.028 1.00 0.00 C ATOM 401 O SER A 25 4.806 -0.017 6.021 1.00 0.00 O ATOM 402 CB SER A 25 7.314 -1.241 3.928 1.00 0.00 C ATOM 403 OG SER A 25 7.858 -1.799 5.118 1.00 0.00 O ATOM 0 H SER A 25 5.758 -0.996 1.946 1.00 0.00 H new ATOM 0 HA SER A 25 5.362 -1.918 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.507 -1.909 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.812 -0.298 3.705 1.00 0.00 H new ATOM 0 HG SER A 25 8.821 -1.939 5.003 1.00 0.00 H new ATOM 409 N GLY A 26 6.070 1.327 4.710 1.00 0.00 N ATOM 410 CA GLY A 26 5.840 2.499 5.539 1.00 0.00 C ATOM 411 C GLY A 26 4.507 3.160 5.242 1.00 0.00 C ATOM 412 O GLY A 26 3.921 3.800 6.115 1.00 0.00 O ATOM 0 H GLY A 26 6.661 1.488 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.874 2.211 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.643 3.218 5.379 1.00 0.00 H new ATOM 416 N LEU A 27 4.016 2.998 4.009 1.00 0.00 N ATOM 417 CA LEU A 27 2.745 3.576 3.617 1.00 0.00 C ATOM 418 C LEU A 27 1.609 3.001 4.441 1.00 0.00 C ATOM 419 O LEU A 27 0.934 3.736 5.156 1.00 0.00 O ATOM 420 CB LEU A 27 2.466 3.327 2.140 1.00 0.00 C ATOM 421 CG LEU A 27 1.466 4.290 1.522 1.00 0.00 C ATOM 422 CD1 LEU A 27 2.178 5.546 1.068 1.00 0.00 C ATOM 423 CD2 LEU A 27 0.732 3.633 0.367 1.00 0.00 C ATOM 0 H LEU A 27 4.485 2.471 3.273 1.00 0.00 H new ATOM 0 HA LEU A 27 2.809 4.650 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.404 3.392 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.095 2.309 2.019 1.00 0.00 H new ATOM 0 HG LEU A 27 0.725 4.562 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.457 6.233 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.656 6.023 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.935 5.288 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.021 4.339 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.450 3.333 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.198 2.754 0.728 1.00 0.00 H new ATOM 435 N VAL A 28 1.395 1.683 4.347 1.00 0.00 N ATOM 436 CA VAL A 28 0.329 1.051 5.106 1.00 0.00 C ATOM 437 C VAL A 28 0.425 1.424 6.589 1.00 0.00 C ATOM 438 O VAL A 28 -0.404 2.161 7.087 1.00 0.00 O ATOM 439 CB VAL A 28 0.337 -0.483 4.910 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.347 -1.195 6.069 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.337 -0.841 3.589 1.00 0.00 C ATOM 0 H VAL A 28 1.939 1.050 3.762 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.623 1.423 4.727 1.00 0.00 H new ATOM 0 HB VAL A 28 1.374 -0.818 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.324 -2.271 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.175 -0.963 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.382 -0.861 6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.328 -1.923 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.367 -0.485 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.202 -0.371 2.766 1.00 0.00 H new ATOM 451 N SER A 29 1.432 0.913 7.287 1.00 0.00 N ATOM 452 CA SER A 29 1.618 1.179 8.715 1.00 0.00 C ATOM 453 C SER A 29 1.505 2.663 9.105 1.00 0.00 C ATOM 454 O SER A 29 0.873 2.975 10.119 1.00 0.00 O ATOM 455 CB SER A 29 2.993 0.671 9.140 1.00 0.00 C ATOM 456 OG SER A 29 4.025 1.545 8.722 1.00 0.00 O ATOM 0 H SER A 29 2.143 0.303 6.883 1.00 0.00 H new ATOM 0 HA SER A 29 0.809 0.659 9.227 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.023 0.565 10.224 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.162 -0.320 8.718 1.00 0.00 H new ATOM 0 HG SER A 29 4.814 1.415 9.289 1.00 0.00 H new ATOM 462 N THR A 30 2.084 3.583 8.329 1.00 0.00 N ATOM 463 CA THR A 30 1.980 4.999 8.676 1.00 0.00 C ATOM 464 C THR A 30 0.590 5.502 8.361 1.00 0.00 C ATOM 465 O THR A 30 -0.029 6.196 9.169 1.00 0.00 O ATOM 466 CB THR A 30 3.029 5.855 7.951 1.00 0.00 C ATOM 467 OG1 THR A 30 3.533 6.849 8.825 1.00 0.00 O ATOM 468 CG2 THR A 30 2.504 6.576 6.723 1.00 0.00 C ATOM 0 H THR A 30 2.614 3.381 7.481 1.00 0.00 H new ATOM 0 HA THR A 30 2.173 5.091 9.745 1.00 0.00 H new ATOM 0 HB THR A 30 3.796 5.149 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.202 7.389 8.355 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.308 7.157 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.135 5.846 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.692 7.243 7.012 1.00 0.00 H new ATOM 476 N THR A 31 0.096 5.147 7.178 1.00 0.00 N ATOM 477 CA THR A 31 -1.225 5.568 6.770 1.00 0.00 C ATOM 478 C THR A 31 -2.299 4.878 7.624 1.00 0.00 C ATOM 479 O THR A 31 -3.384 5.420 7.842 1.00 0.00 O ATOM 480 CB THR A 31 -1.433 5.333 5.267 1.00 0.00 C ATOM 481 OG1 THR A 31 -2.113 6.429 4.680 1.00 0.00 O ATOM 482 CG2 THR A 31 -2.211 4.086 4.924 1.00 0.00 C ATOM 0 H THR A 31 0.592 4.573 6.496 1.00 0.00 H new ATOM 0 HA THR A 31 -1.320 6.641 6.939 1.00 0.00 H new ATOM 0 HB THR A 31 -0.424 5.215 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.497 6.923 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.308 4.004 3.841 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.686 3.212 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.202 4.141 5.374 1.00 0.00 H new ATOM 490 N MET A 32 -1.964 3.681 8.119 1.00 0.00 N ATOM 491 CA MET A 32 -2.851 2.884 8.966 1.00 0.00 C ATOM 492 C MET A 32 -3.274 3.655 10.204 1.00 0.00 C ATOM 493 O MET A 32 -4.456 3.817 10.455 1.00 0.00 O ATOM 494 CB MET A 32 -2.150 1.587 9.391 1.00 0.00 C ATOM 495 CG MET A 32 -2.141 0.524 8.314 1.00 0.00 C ATOM 496 SD MET A 32 -3.622 -0.488 8.336 1.00 0.00 S ATOM 497 CE MET A 32 -3.661 -1.076 6.653 1.00 0.00 C ATOM 0 H MET A 32 -1.063 3.237 7.940 1.00 0.00 H new ATOM 0 HA MET A 32 -3.742 2.649 8.384 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.122 1.815 9.674 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.644 1.190 10.278 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.045 1.001 7.338 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.267 -0.114 8.445 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.669 -1.409 6.407 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.371 -0.270 5.979 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.967 -1.909 6.542 1.00 0.00 H new ATOM 507 N GLN A 33 -2.297 4.132 10.970 1.00 0.00 N ATOM 508 CA GLN A 33 -2.575 4.896 12.184 1.00 0.00 C ATOM 509 C GLN A 33 -3.506 6.068 11.875 1.00 0.00 C ATOM 510 O GLN A 33 -4.552 6.232 12.506 1.00 0.00 O ATOM 511 CB GLN A 33 -1.252 5.370 12.808 1.00 0.00 C ATOM 512 CG GLN A 33 -1.251 6.808 13.322 1.00 0.00 C ATOM 513 CD GLN A 33 0.150 7.378 13.444 1.00 0.00 C ATOM 514 OE1 GLN A 33 0.614 8.108 12.571 1.00 0.00 O ATOM 515 NE2 GLN A 33 0.837 7.042 14.526 1.00 0.00 N ATOM 0 H GLN A 33 -1.305 4.003 10.772 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.084 4.259 12.907 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.001 4.706 13.635 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.461 5.267 12.065 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.837 7.432 12.647 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.741 6.843 14.295 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.417 6.433 15.228 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.786 7.392 14.657 1.00 0.00 H new ATOM 524 N ASN A 34 -3.115 6.874 10.895 1.00 0.00 N ATOM 525 CA ASN A 34 -3.908 8.031 10.489 1.00 0.00 C ATOM 526 C ASN A 34 -5.324 7.611 10.077 1.00 0.00 C ATOM 527 O ASN A 34 -6.305 8.154 10.590 1.00 0.00 O ATOM 528 CB ASN A 34 -3.203 8.775 9.352 1.00 0.00 C ATOM 529 CG ASN A 34 -2.647 10.120 9.766 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.096 10.730 10.736 1.00 0.00 O ATOM 531 ND2 ASN A 34 -1.656 10.589 9.021 1.00 0.00 N ATOM 0 H ASN A 34 -2.252 6.748 10.365 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.001 8.705 11.341 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.390 8.156 8.972 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.906 8.918 8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.234 11.490 9.243 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.316 10.048 8.226 1.00 0.00 H new ATOM 538 N GLU A 35 -5.432 6.617 9.189 1.00 0.00 N ATOM 539 CA GLU A 35 -6.747 6.121 8.773 1.00 0.00 C ATOM 540 C GLU A 35 -7.426 5.403 9.942 1.00 0.00 C ATOM 541 O GLU A 35 -8.643 5.412 10.069 1.00 0.00 O ATOM 542 CB GLU A 35 -6.630 5.189 7.563 1.00 0.00 C ATOM 543 CG GLU A 35 -7.371 5.703 6.334 1.00 0.00 C ATOM 544 CD GLU A 35 -8.849 5.364 6.337 1.00 0.00 C ATOM 545 OE1 GLU A 35 -9.183 4.179 6.124 1.00 0.00 O ATOM 546 OE2 GLU A 35 -9.673 6.287 6.539 1.00 0.00 O ATOM 0 H GLU A 35 -4.639 6.147 8.751 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.358 6.973 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.577 5.057 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.020 4.207 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.254 6.785 6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.911 5.283 5.439 1.00 0.00 H new ATOM 553 N ALA A 36 -6.621 4.805 10.813 1.00 0.00 N ATOM 554 CA ALA A 36 -7.126 4.113 11.990 1.00 0.00 C ATOM 555 C ALA A 36 -7.750 5.106 12.962 1.00 0.00 C ATOM 556 O ALA A 36 -8.824 4.860 13.524 1.00 0.00 O ATOM 557 CB ALA A 36 -5.992 3.366 12.666 1.00 0.00 C ATOM 0 H ALA A 36 -5.605 4.787 10.723 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.893 3.402 11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.371 2.848 13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.570 2.639 11.972 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.218 4.073 12.966 1.00 0.00 H new ATOM 563 N ARG A 37 -7.067 6.234 13.153 1.00 0.00 N ATOM 564 CA ARG A 37 -7.546 7.275 14.045 1.00 0.00 C ATOM 565 C ARG A 37 -8.622 8.106 13.389 1.00 0.00 C ATOM 566 O ARG A 37 -9.697 8.316 13.947 1.00 0.00 O ATOM 567 CB ARG A 37 -6.422 8.227 14.417 1.00 0.00 C ATOM 568 CG ARG A 37 -5.934 8.092 15.849 1.00 0.00 C ATOM 569 CD ARG A 37 -7.081 8.198 16.840 1.00 0.00 C ATOM 570 NE ARG A 37 -6.782 7.520 18.105 1.00 0.00 N ATOM 571 CZ ARG A 37 -6.703 6.201 18.257 1.00 0.00 C ATOM 572 NH1 ARG A 37 -6.848 5.391 17.223 1.00 0.00 N ATOM 573 NH2 ARG A 37 -6.467 5.695 19.452 1.00 0.00 N ATOM 0 H ARG A 37 -6.179 6.445 12.698 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.938 6.770 14.928 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.582 8.060 13.742 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.761 9.250 14.256 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.431 7.133 15.974 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.198 8.868 16.058 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.295 9.249 17.034 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.980 7.765 16.401 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.623 8.102 18.928 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.023 5.775 16.295 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.785 4.381 17.353 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.346 6.314 20.253 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.405 4.684 19.575 1.00 0.00 H new ATOM 587 N ARG A 38 -8.279 8.635 12.228 1.00 0.00 N ATOM 588 CA ARG A 38 -9.164 9.518 11.505 1.00 0.00 C ATOM 589 C ARG A 38 -10.273 8.792 10.724 1.00 0.00 C ATOM 590 O ARG A 38 -11.347 9.360 10.551 1.00 0.00 O ATOM 591 CB ARG A 38 -8.351 10.396 10.548 1.00 0.00 C ATOM 592 CG ARG A 38 -9.049 11.693 10.166 1.00 0.00 C ATOM 593 CD ARG A 38 -8.586 12.853 11.032 1.00 0.00 C ATOM 594 NE ARG A 38 -7.250 13.320 10.649 1.00 0.00 N ATOM 595 CZ ARG A 38 -6.614 14.331 11.227 1.00 0.00 C ATOM 596 NH1 ARG A 38 -7.172 14.996 12.220 1.00 0.00 N ATOM 597 NH2 ARG A 38 -5.412 14.679 10.811 1.00 0.00 N ATOM 0 H ARG A 38 -7.386 8.464 11.766 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.667 10.126 12.257 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.393 10.632 11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.136 9.829 9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.851 11.919 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.127 11.570 10.267 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.296 13.675 10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.577 12.545 12.078 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.777 12.835 9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.101 14.735 12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.675 15.772 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.971 14.171 10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.924 15.456 11.256 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.865 -10.441 -10.406 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.667 -9.429 -9.358 1.00 0.00 C ATOM 1186 C LYS B 102 -3.266 -9.535 -8.748 1.00 0.00 C ATOM 1187 O LYS B 102 -2.633 -10.591 -8.799 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.738 -9.559 -8.266 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.713 -8.391 -8.227 1.00 0.00 C ATOM 1190 CD LYS B 102 -8.150 -8.863 -8.062 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.741 -9.334 -9.382 1.00 0.00 C ATOM 1192 NZ LYS B 102 -9.839 -8.441 -9.853 1.00 0.00 N ATOM 0 HA LYS B 102 -4.763 -8.447 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.296 -10.482 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.248 -9.645 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.452 -7.726 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.624 -7.811 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.185 -9.676 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.756 -8.051 -7.661 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.956 -9.373 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.123 -10.348 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.214 -8.798 -10.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -10.600 -8.423 -9.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.470 -7.478 -9.988 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.777 -8.440 -8.172 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.448 -8.437 -7.565 1.00 0.00 C ATOM 1208 C GLN B 103 -1.530 -8.419 -6.050 1.00 0.00 C ATOM 1209 O GLN B 103 -1.916 -7.424 -5.443 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.609 -7.250 -8.068 1.00 0.00 C ATOM 1211 CG GLN B 103 0.663 -7.017 -7.260 1.00 0.00 C ATOM 1212 CD GLN B 103 1.800 -6.457 -8.092 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.618 -5.529 -8.877 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.990 -7.014 -7.918 1.00 0.00 N ATOM 0 H GLN B 103 -3.275 -7.552 -8.112 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.954 -9.360 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.341 -7.421 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.218 -6.347 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.446 -6.330 -6.442 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.979 -7.958 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN B 103 3.102 -7.783 -7.257 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.794 -6.674 -8.445 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.175 -9.535 -5.443 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.231 -9.644 -4.000 1.00 0.00 C ATOM 1225 C ARG B 104 -0.045 -8.962 -3.336 1.00 0.00 C ATOM 1226 O ARG B 104 1.062 -9.500 -3.301 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.285 -11.107 -3.577 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.956 -11.304 -2.234 1.00 0.00 C ATOM 1229 CD ARG B 104 -2.537 -12.695 -2.106 1.00 0.00 C ATOM 1230 NE ARG B 104 -3.979 -12.689 -2.379 1.00 0.00 N ATOM 1231 CZ ARG B 104 -4.603 -13.516 -3.213 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -3.960 -14.510 -3.796 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -5.886 -13.352 -3.455 1.00 0.00 N ATOM 0 H ARG B 104 -0.847 -10.373 -5.923 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.139 -9.138 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.821 -11.680 -4.334 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.272 -11.506 -3.534 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.233 -11.135 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.747 -10.565 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -2.034 -13.368 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -2.355 -13.078 -1.102 1.00 0.00 H new ATOM 0 HE ARG B 104 -4.547 -11.996 -1.891 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -2.968 -14.654 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -4.455 -15.134 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -6.397 -12.593 -3.004 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -6.369 -13.983 -4.094 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.298 -7.796 -2.758 1.00 0.00 N ATOM 1248 CA ILE B 105 0.733 -7.072 -2.036 1.00 0.00 C ATOM 1249 C ILE B 105 0.461 -7.230 -0.563 1.00 0.00 C ATOM 1250 O ILE B 105 -0.660 -6.997 -0.109 1.00 0.00 O ATOM 1251 CB ILE B 105 0.798 -5.574 -2.399 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.259 -4.768 -1.633 1.00 0.00 C ATOM 1253 CG2 ILE B 105 0.627 -5.407 -3.895 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.111 -3.271 -1.781 1.00 0.00 C ATOM 0 H ILE B 105 -1.207 -7.334 -2.776 1.00 0.00 H new ATOM 0 HA ILE B 105 1.700 -7.491 -2.316 1.00 0.00 H new ATOM 0 HB ILE B 105 1.774 -5.186 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.249 -5.062 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -0.203 -5.026 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE B 105 0.673 -4.348 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE B 105 1.423 -5.941 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -0.339 -5.812 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -0.894 -2.770 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.865 -2.963 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -0.197 -2.999 -2.833 1.00 0.00 H new ATOM 1266 N THR B 106 1.449 -7.671 0.182 1.00 0.00 N ATOM 1267 CA THR B 106 1.235 -7.893 1.593 1.00 0.00 C ATOM 1268 C THR B 106 2.309 -7.253 2.462 1.00 0.00 C ATOM 1269 O THR B 106 3.485 -7.603 2.361 1.00 0.00 O ATOM 1270 CB THR B 106 1.107 -9.411 1.881 1.00 0.00 C ATOM 1271 OG1 THR B 106 1.982 -9.833 2.917 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.366 -10.306 0.672 1.00 0.00 C ATOM 0 H THR B 106 2.389 -7.879 -0.156 1.00 0.00 H new ATOM 0 HA THR B 106 0.300 -7.402 1.860 1.00 0.00 H new ATOM 0 HB THR B 106 0.065 -9.526 2.179 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.519 -10.591 2.603 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.256 -11.351 0.962 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.650 -10.071 -0.115 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.378 -10.137 0.304 1.00 0.00 H new ATOM 1280 N VAL B 107 1.881 -6.410 3.405 1.00 0.00 N ATOM 1281 CA VAL B 107 2.791 -5.830 4.387 1.00 0.00 C ATOM 1282 C VAL B 107 2.610 -6.623 5.672 1.00 0.00 C ATOM 1283 O VAL B 107 1.603 -6.465 6.359 1.00 0.00 O ATOM 1284 CB VAL B 107 2.584 -4.293 4.668 1.00 0.00 C ATOM 1285 CG1 VAL B 107 1.130 -3.893 4.552 1.00 0.00 C ATOM 1286 CG2 VAL B 107 3.138 -3.893 6.052 1.00 0.00 C ATOM 0 H VAL B 107 0.910 -6.116 3.507 1.00 0.00 H new ATOM 0 HA VAL B 107 3.801 -5.895 3.982 1.00 0.00 H new ATOM 0 HB VAL B 107 3.145 -3.755 3.904 1.00 0.00 H new ATOM 0 HG11 VAL B 107 1.029 -2.826 4.753 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.773 -4.108 3.545 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.539 -4.456 5.275 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.979 -2.827 6.213 1.00 0.00 H new ATOM 0 HG22 VAL B 107 2.622 -4.458 6.828 1.00 0.00 H new ATOM 0 HG23 VAL B 107 4.205 -4.111 6.094 1.00 0.00 H new ATOM 1296 N THR B 108 3.548 -7.501 5.984 1.00 0.00 N ATOM 1297 CA THR B 108 3.434 -8.316 7.181 1.00 0.00 C ATOM 1298 C THR B 108 3.521 -7.447 8.436 1.00 0.00 C ATOM 1299 O THR B 108 4.613 -7.146 8.924 1.00 0.00 O ATOM 1300 CB THR B 108 4.509 -9.393 7.178 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.774 -8.862 6.838 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.217 -10.511 6.233 1.00 0.00 C ATOM 0 H THR B 108 4.389 -7.667 5.431 1.00 0.00 H new ATOM 0 HA THR B 108 2.459 -8.804 7.187 1.00 0.00 H new ATOM 0 HB THR B 108 4.517 -9.783 8.196 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.941 -8.052 7.364 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.021 -11.245 6.279 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.276 -10.986 6.511 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.140 -10.119 5.219 1.00 0.00 H new ATOM 1310 N VAL B 109 2.353 -7.027 8.932 1.00 0.00 N ATOM 1311 CA VAL B 109 2.273 -6.165 10.109 1.00 0.00 C ATOM 1312 C VAL B 109 2.022 -6.960 11.412 1.00 0.00 C ATOM 1313 O VAL B 109 2.708 -7.955 11.666 1.00 0.00 O ATOM 1314 CB VAL B 109 1.203 -5.048 9.938 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.585 -3.824 10.751 1.00 0.00 C ATOM 1316 CG2 VAL B 109 1.026 -4.645 8.482 1.00 0.00 C ATOM 0 H VAL B 109 1.447 -7.273 8.532 1.00 0.00 H new ATOM 0 HA VAL B 109 3.250 -5.690 10.199 1.00 0.00 H new ATOM 0 HB VAL B 109 0.257 -5.454 10.296 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.828 -3.051 10.622 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.652 -4.094 11.805 1.00 0.00 H new ATOM 0 HG13 VAL B 109 2.550 -3.448 10.411 1.00 0.00 H new ATOM 0 HG21 VAL B 109 0.270 -3.863 8.410 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.972 -4.272 8.090 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.709 -5.511 7.901 1.00 0.00 H new ATOM 1326 N ASP B 110 1.095 -6.457 12.261 1.00 0.00 N ATOM 1327 CA ASP B 110 0.786 -7.025 13.592 1.00 0.00 C ATOM 1328 C ASP B 110 1.485 -6.177 14.660 1.00 0.00 C ATOM 1329 O ASP B 110 1.584 -6.537 15.834 1.00 0.00 O ATOM 1330 CB ASP B 110 1.256 -8.453 13.717 1.00 0.00 C ATOM 1331 CG ASP B 110 0.516 -9.229 14.791 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -0.662 -9.578 14.560 1.00 0.00 O ATOM 1333 OD2 ASP B 110 1.110 -9.485 15.860 1.00 0.00 O ATOM 0 H ASP B 110 0.534 -5.635 12.037 1.00 0.00 H new ATOM 0 HA ASP B 110 -0.296 -7.015 13.725 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.128 -8.957 12.759 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.323 -8.460 13.941 1.00 0.00 H new ATOM 1338 N SER B 111 1.964 -5.037 14.207 1.00 0.00 N ATOM 1339 CA SER B 111 2.660 -4.071 15.041 1.00 0.00 C ATOM 1340 C SER B 111 2.651 -2.681 14.398 1.00 0.00 C ATOM 1341 O SER B 111 2.366 -1.690 15.071 1.00 0.00 O ATOM 1342 CB SER B 111 4.101 -4.529 15.298 1.00 0.00 C ATOM 1343 OG SER B 111 4.142 -5.652 16.172 1.00 0.00 O ATOM 0 H SER B 111 1.881 -4.748 13.232 1.00 0.00 H new ATOM 0 HA SER B 111 2.135 -4.007 15.994 1.00 0.00 H new ATOM 0 HB2 SER B 111 4.577 -4.785 14.352 1.00 0.00 H new ATOM 0 HB3 SER B 111 4.673 -3.708 15.731 1.00 0.00 H new ATOM 0 HG SER B 111 3.240 -6.023 16.270 1.00 0.00 H new ATOM 1349 N ASP B 112 3.000 -2.598 13.105 1.00 0.00 N ATOM 1350 CA ASP B 112 3.070 -1.315 12.412 1.00 0.00 C ATOM 1351 C ASP B 112 1.691 -0.640 12.170 1.00 0.00 C ATOM 1352 O ASP B 112 1.392 -0.214 11.062 1.00 0.00 O ATOM 1353 CB ASP B 112 3.837 -1.516 11.097 1.00 0.00 C ATOM 1354 CG ASP B 112 5.218 -0.884 11.127 1.00 0.00 C ATOM 1355 OD1 ASP B 112 6.173 -1.571 11.550 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.342 0.297 10.732 1.00 0.00 O ATOM 0 H ASP B 112 3.236 -3.404 12.526 1.00 0.00 H new ATOM 0 HA ASP B 112 3.598 -0.618 13.063 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.933 -2.583 10.896 1.00 0.00 H new ATOM 0 HB3 ASP B 112 3.263 -1.087 10.276 1.00 0.00 H new ATOM 1361 N SER B 113 0.867 -0.516 13.216 1.00 0.00 N ATOM 1362 CA SER B 113 -0.450 0.153 13.127 1.00 0.00 C ATOM 1363 C SER B 113 -1.423 -0.445 12.094 1.00 0.00 C ATOM 1364 O SER B 113 -2.529 0.077 11.926 1.00 0.00 O ATOM 1365 CB SER B 113 -0.243 1.638 12.816 1.00 0.00 C ATOM 1366 OG SER B 113 -1.006 2.454 13.691 1.00 0.00 O ATOM 0 H SER B 113 1.086 -0.872 14.146 1.00 0.00 H new ATOM 0 HA SER B 113 -0.920 -0.001 14.098 1.00 0.00 H new ATOM 0 HB2 SER B 113 0.814 1.888 12.909 1.00 0.00 H new ATOM 0 HB3 SER B 113 -0.529 1.840 11.784 1.00 0.00 H new ATOM 0 HG SER B 113 -0.475 2.666 14.487 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.043 -1.529 11.420 1.00 0.00 N ATOM 1373 CA TYR B 114 -1.930 -2.146 10.427 1.00 0.00 C ATOM 1374 C TYR B 114 -3.261 -2.585 11.047 1.00 0.00 C ATOM 1375 O TYR B 114 -4.335 -2.227 10.560 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.288 -3.376 9.797 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.304 -4.428 9.401 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.075 -4.281 8.253 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.507 -5.559 10.185 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.011 -5.230 7.894 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -3.440 -6.510 9.832 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.187 -6.341 8.685 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.111 -7.289 8.330 1.00 0.00 O ATOM 0 H TYR B 114 -0.143 -1.994 11.538 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.108 -1.383 9.670 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -0.722 -3.074 8.916 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.577 -3.810 10.500 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -2.939 -3.409 7.631 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.924 -5.694 11.084 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.601 -5.101 6.998 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -3.585 -7.383 10.451 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.868 -6.857 7.882 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.171 -3.428 12.084 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.355 -4.005 12.728 1.00 0.00 C ATOM 1395 C GLN B 115 -5.425 -2.972 13.074 1.00 0.00 C ATOM 1396 O GLN B 115 -6.603 -3.273 12.969 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.966 -4.775 13.992 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.739 -5.660 13.841 1.00 0.00 C ATOM 1399 CD GLN B 115 -2.509 -6.536 15.054 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -1.946 -6.095 16.049 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -2.947 -7.782 14.977 1.00 0.00 N ATOM 0 H GLN B 115 -2.286 -3.726 12.495 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.788 -4.684 11.993 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -3.786 -4.061 14.796 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.809 -5.394 14.298 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.854 -6.289 12.958 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -1.861 -5.035 13.675 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -3.411 -8.108 14.129 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -2.821 -8.417 15.766 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.034 -1.765 13.473 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.018 -0.728 13.811 1.00 0.00 C ATOM 1412 C LEU B 116 -7.018 -0.513 12.661 1.00 0.00 C ATOM 1413 O LEU B 116 -8.222 -0.402 12.883 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.306 0.583 14.151 1.00 0.00 C ATOM 1415 CG LEU B 116 -5.391 1.005 15.618 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.102 1.676 16.059 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -6.573 1.936 15.832 1.00 0.00 C ATOM 0 H LEU B 116 -4.060 -1.479 13.571 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.579 -1.064 14.683 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.255 0.490 13.876 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.727 1.378 13.535 1.00 0.00 H new ATOM 0 HG LEU B 116 -5.536 0.111 16.225 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -4.184 1.968 17.106 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -3.271 0.981 15.940 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.925 2.561 15.448 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -6.621 2.228 16.881 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -6.453 2.825 15.213 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -7.494 1.424 15.556 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.493 -0.460 11.438 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.351 -0.261 10.258 1.00 0.00 C ATOM 1431 C LEU B 117 -8.288 -1.445 10.047 1.00 0.00 C ATOM 1432 O LEU B 117 -9.509 -1.288 9.980 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.549 -0.030 8.997 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.667 1.383 8.433 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -5.993 1.468 7.082 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -8.130 1.792 8.323 1.00 0.00 C ATOM 0 H LEU B 117 -5.498 -0.549 11.234 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.939 0.634 10.460 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.500 -0.241 9.203 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.874 -0.741 8.237 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.167 2.071 9.115 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.085 2.482 6.692 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -4.938 1.214 7.185 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.469 0.770 6.393 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.196 2.802 7.919 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -8.652 1.102 7.661 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.590 1.765 9.311 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.705 -2.625 9.950 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.459 -3.855 9.752 1.00 0.00 C ATOM 1450 C LYS B 118 -9.310 -4.174 10.972 1.00 0.00 C ATOM 1451 O LYS B 118 -10.342 -4.837 10.873 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.502 -4.999 9.455 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.513 -5.229 10.571 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.404 -6.711 10.909 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.423 -6.957 12.405 1.00 0.00 C ATOM 1456 NZ LYS B 118 -7.134 -8.229 12.741 1.00 0.00 N ATOM 0 H LYS B 118 -6.696 -2.761 10.006 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.130 -3.721 8.904 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.073 -5.912 9.286 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -6.961 -4.786 8.533 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.535 -4.846 10.279 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -6.822 -4.673 11.456 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.228 -7.250 10.443 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.482 -7.112 10.488 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.401 -7.000 12.781 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.912 -6.122 12.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -7.129 -8.368 13.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -8.116 -8.177 12.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.652 -9.028 12.282 1.00 0.00 H new ATOM 1470 N ALA B 119 -8.867 -3.671 12.118 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.575 -3.863 13.377 1.00 0.00 C ATOM 1472 C ALA B 119 -11.018 -3.401 13.236 1.00 0.00 C ATOM 1473 O ALA B 119 -11.909 -3.882 13.937 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.884 -3.118 14.510 1.00 0.00 C ATOM 0 H ALA B 119 -8.012 -3.122 12.201 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.565 -4.925 13.621 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.432 -3.278 15.438 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.865 -3.490 14.622 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.859 -2.052 14.282 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.236 -2.482 12.295 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.556 -1.970 12.011 1.00 0.00 C ATOM 1482 C TYR B 120 -13.217 -2.871 10.972 1.00 0.00 C ATOM 1483 O TYR B 120 -14.327 -3.340 11.201 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.474 -0.532 11.487 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.820 0.454 12.435 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -11.552 0.134 13.763 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -11.474 1.717 11.992 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -10.954 1.052 14.610 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.883 2.633 12.825 1.00 0.00 C ATOM 1490 CZ TYR B 120 -10.620 2.302 14.134 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.021 3.222 14.966 1.00 0.00 O ATOM 0 H TYR B 120 -10.499 -2.080 11.716 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.148 -1.962 12.926 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -11.920 -0.533 10.548 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -13.482 -0.184 11.262 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -11.814 -0.844 14.138 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -11.674 1.989 10.966 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -10.750 0.790 15.638 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -10.624 3.613 12.453 1.00 0.00 H new ATOM 0 HH TYR B 120 -9.299 3.677 14.484 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.482 -3.115 9.857 1.00 0.00 N ATOM 1502 CA ASP B 121 -12.918 -3.991 8.738 1.00 0.00 C ATOM 1503 C ASP B 121 -12.696 -3.307 7.388 1.00 0.00 C ATOM 1504 O ASP B 121 -13.618 -3.151 6.583 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.378 -4.444 8.849 1.00 0.00 C ATOM 1506 CG ASP B 121 -14.515 -5.873 9.350 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -13.674 -6.307 10.169 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -15.457 -6.566 8.912 1.00 0.00 O ATOM 0 H ASP B 121 -11.560 -2.705 9.708 1.00 0.00 H new ATOM 0 HA ASP B 121 -12.298 -4.885 8.807 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -14.911 -3.774 9.524 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -14.855 -4.359 7.873 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.462 -2.898 7.157 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.089 -2.226 5.921 1.00 0.00 C ATOM 1515 C VAL B 122 -9.704 -2.642 5.463 1.00 0.00 C ATOM 1516 O VAL B 122 -9.479 -2.815 4.262 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.174 -0.693 6.085 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -10.024 -0.160 6.926 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -11.216 -0.003 4.731 1.00 0.00 C ATOM 0 H VAL B 122 -10.692 -3.020 7.815 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.798 -2.529 5.151 1.00 0.00 H new ATOM 0 HB VAL B 122 -12.102 -0.470 6.611 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -10.114 0.922 7.022 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -10.055 -0.616 7.916 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -9.077 -0.404 6.444 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -11.276 1.076 4.874 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -10.313 -0.245 4.171 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.090 -0.344 4.176 1.00 0.00 H new ATOM 1529 N ASN B 123 -8.760 -2.790 6.399 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.410 -3.164 6.035 1.00 0.00 C ATOM 1531 C ASN B 123 -6.850 -2.070 5.137 1.00 0.00 C ATOM 1532 O ASN B 123 -6.775 -0.912 5.548 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.389 -4.543 5.344 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.062 -5.627 6.163 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -7.438 -6.253 7.011 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -9.339 -5.859 5.909 1.00 0.00 N ATOM 0 H ASN B 123 -8.913 -2.656 7.399 1.00 0.00 H new ATOM 0 HA ASN B 123 -6.787 -3.258 6.924 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -7.885 -4.466 4.376 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.356 -4.830 5.150 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -9.839 -6.581 6.428 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -9.824 -5.316 5.195 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.459 -2.416 3.928 1.00 0.00 N ATOM 1544 CA ILE B 124 -5.914 -1.417 3.021 1.00 0.00 C ATOM 1545 C ILE B 124 -6.328 -1.621 1.567 1.00 0.00 C ATOM 1546 O ILE B 124 -5.816 -0.934 0.683 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.384 -1.352 3.094 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -3.827 -2.467 3.953 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.938 -0.016 3.648 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.191 -3.824 3.424 1.00 0.00 C ATOM 0 H ILE B 124 -6.505 -3.363 3.552 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.341 -0.474 3.363 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.000 -1.471 2.081 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -2.742 -2.377 4.004 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.203 -2.362 4.971 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.849 0.014 3.693 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.296 0.784 3.001 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.347 0.117 4.650 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -3.770 -4.592 4.072 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.276 -3.926 3.398 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -3.792 -3.941 2.416 1.00 0.00 H new ATOM 1562 N SER B 125 -7.221 -2.578 1.312 1.00 0.00 N ATOM 1563 CA SER B 125 -7.645 -2.865 -0.067 1.00 0.00 C ATOM 1564 C SER B 125 -7.808 -1.559 -0.859 1.00 0.00 C ATOM 1565 O SER B 125 -7.063 -1.291 -1.815 1.00 0.00 O ATOM 1566 CB SER B 125 -8.954 -3.660 -0.081 1.00 0.00 C ATOM 1567 OG SER B 125 -8.878 -4.750 -0.987 1.00 0.00 O ATOM 0 H SER B 125 -7.660 -3.160 2.025 1.00 0.00 H new ATOM 0 HA SER B 125 -6.872 -3.470 -0.541 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.169 -4.030 0.921 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.778 -3.005 -0.363 1.00 0.00 H new ATOM 0 HG SER B 125 -9.725 -5.243 -0.977 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.761 -0.729 -0.428 1.00 0.00 N ATOM 1574 CA GLY B 126 -8.985 0.558 -1.074 1.00 0.00 C ATOM 1575 C GLY B 126 -8.108 1.654 -0.489 1.00 0.00 C ATOM 1576 O GLY B 126 -7.770 2.624 -1.171 1.00 0.00 O ATOM 0 H GLY B 126 -9.382 -0.926 0.357 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.786 0.466 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.033 0.838 -0.968 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.738 1.497 0.785 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.901 2.457 1.475 1.00 0.00 C ATOM 1582 C LEU B 127 -5.534 2.566 0.803 1.00 0.00 C ATOM 1583 O LEU B 127 -5.175 3.625 0.281 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.738 2.006 2.925 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.409 3.099 3.926 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -5.108 2.765 4.617 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.328 4.449 3.241 1.00 0.00 C ATOM 0 H LEU B 127 -8.014 0.700 1.358 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.371 3.440 1.438 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.661 1.518 3.239 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.950 1.254 2.965 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.203 3.157 4.670 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.867 3.547 5.337 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -5.206 1.812 5.136 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.311 2.695 3.877 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.091 5.217 3.977 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.549 4.424 2.479 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.286 4.678 2.773 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.793 1.452 0.793 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.483 1.411 0.157 1.00 0.00 C ATOM 1601 C VAL B 128 -3.578 1.971 -1.254 1.00 0.00 C ATOM 1602 O VAL B 128 -2.936 2.949 -1.573 1.00 0.00 O ATOM 1603 CB VAL B 128 -2.915 -0.026 0.131 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.019 -0.268 -1.074 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.154 -0.282 1.406 1.00 0.00 C ATOM 0 H VAL B 128 -5.083 0.572 1.219 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.799 2.026 0.742 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.753 -0.719 0.049 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.644 -1.291 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.591 -0.114 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.180 0.427 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -1.751 -1.295 1.392 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.336 0.433 1.491 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -2.824 -0.169 2.258 1.00 0.00 H new ATOM 1615 N SER B 129 -4.412 1.350 -2.077 1.00 0.00 N ATOM 1616 CA SER B 129 -4.625 1.786 -3.451 1.00 0.00 C ATOM 1617 C SER B 129 -4.933 3.288 -3.544 1.00 0.00 C ATOM 1618 O SER B 129 -4.463 3.956 -4.464 1.00 0.00 O ATOM 1619 CB SER B 129 -5.767 0.983 -4.058 1.00 0.00 C ATOM 1620 OG SER B 129 -6.850 0.857 -3.147 1.00 0.00 O ATOM 0 H SER B 129 -4.959 0.531 -1.812 1.00 0.00 H new ATOM 0 HA SER B 129 -3.703 1.613 -4.005 1.00 0.00 H new ATOM 0 HB2 SER B 129 -6.111 1.469 -4.971 1.00 0.00 H new ATOM 0 HB3 SER B 129 -5.409 -0.007 -4.340 1.00 0.00 H new ATOM 0 HG SER B 129 -6.789 -0.004 -2.684 1.00 0.00 H new ATOM 1626 N THR B 130 -5.700 3.823 -2.586 1.00 0.00 N ATOM 1627 CA THR B 130 -6.027 5.245 -2.577 1.00 0.00 C ATOM 1628 C THR B 130 -4.797 6.027 -2.191 1.00 0.00 C ATOM 1629 O THR B 130 -4.349 6.916 -2.919 1.00 0.00 O ATOM 1630 CB THR B 130 -7.147 5.553 -1.580 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.333 4.867 -1.924 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.474 7.028 -1.488 1.00 0.00 C ATOM 0 H THR B 130 -6.101 3.292 -1.813 1.00 0.00 H new ATOM 0 HA THR B 130 -6.368 5.527 -3.573 1.00 0.00 H new ATOM 0 HB THR B 130 -6.771 5.219 -0.613 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.423 4.068 -1.364 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.275 7.179 -0.765 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.589 7.578 -1.168 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.794 7.391 -2.465 1.00 0.00 H new ATOM 1640 N THR B 131 -4.247 5.672 -1.035 1.00 0.00 N ATOM 1641 CA THR B 131 -3.054 6.320 -0.536 1.00 0.00 C ATOM 1642 C THR B 131 -1.929 6.216 -1.560 1.00 0.00 C ATOM 1643 O THR B 131 -1.182 7.165 -1.790 1.00 0.00 O ATOM 1644 CB THR B 131 -2.616 5.695 0.789 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.579 5.930 1.797 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.294 6.220 1.291 1.00 0.00 C ATOM 0 H THR B 131 -4.614 4.937 -0.430 1.00 0.00 H new ATOM 0 HA THR B 131 -3.281 7.372 -0.365 1.00 0.00 H new ATOM 0 HB THR B 131 -2.511 4.630 0.582 1.00 0.00 H new ATOM 0 HG1 THR B 131 -3.127 6.076 2.654 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.044 5.734 2.234 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.516 6.009 0.557 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.365 7.297 1.445 1.00 0.00 H new ATOM 1654 N MET B 132 -1.844 5.045 -2.180 1.00 0.00 N ATOM 1655 CA MET B 132 -0.853 4.746 -3.195 1.00 0.00 C ATOM 1656 C MET B 132 -0.873 5.767 -4.318 1.00 0.00 C ATOM 1657 O MET B 132 0.141 6.367 -4.605 1.00 0.00 O ATOM 1658 CB MET B 132 -1.110 3.356 -3.762 1.00 0.00 C ATOM 1659 CG MET B 132 -0.688 2.233 -2.839 1.00 0.00 C ATOM 1660 SD MET B 132 0.723 1.344 -3.485 1.00 0.00 S ATOM 1661 CE MET B 132 1.178 0.410 -2.055 1.00 0.00 C ATOM 0 H MET B 132 -2.474 4.267 -1.985 1.00 0.00 H new ATOM 0 HA MET B 132 0.131 4.784 -2.727 1.00 0.00 H new ATOM 0 HB2 MET B 132 -2.173 3.254 -3.981 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.578 3.256 -4.708 1.00 0.00 H new ATOM 0 HG2 MET B 132 -0.444 2.640 -1.858 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.521 1.543 -2.700 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.127 -0.095 -2.237 1.00 0.00 H new ATOM 0 HE2 MET B 132 1.281 1.079 -1.201 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.407 -0.331 -1.844 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.025 5.962 -4.955 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.127 6.931 -6.049 1.00 0.00 C ATOM 1673 C GLN B 133 -1.734 8.331 -5.581 1.00 0.00 C ATOM 1674 O GLN B 133 -1.074 9.071 -6.315 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.538 6.933 -6.632 1.00 0.00 C ATOM 1676 CG GLN B 133 -3.762 7.993 -7.706 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.687 7.531 -8.819 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -5.299 6.471 -8.738 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -4.792 8.326 -9.871 1.00 0.00 N ATOM 0 H GLN B 133 -2.892 5.470 -4.738 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.430 6.632 -6.832 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.747 5.951 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.254 7.091 -5.825 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.179 8.887 -7.243 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -2.801 8.275 -8.135 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -4.268 9.200 -9.904 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -5.397 8.065 -10.649 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.107 8.679 -4.351 1.00 0.00 N ATOM 1689 CA ASN B 134 -1.752 9.983 -3.801 1.00 0.00 C ATOM 1690 C ASN B 134 -0.250 10.035 -3.535 1.00 0.00 C ATOM 1691 O ASN B 134 0.441 10.939 -4.016 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.578 10.273 -2.527 1.00 0.00 C ATOM 1693 CG ASN B 134 -1.741 10.572 -1.295 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -0.921 11.488 -1.285 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -1.965 9.806 -0.241 1.00 0.00 N ATOM 0 H ASN B 134 -2.648 8.084 -3.724 1.00 0.00 H new ATOM 0 HA ASN B 134 -1.992 10.764 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.236 11.120 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -3.217 9.415 -2.319 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -1.448 9.965 0.624 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -2.655 9.056 -0.293 1.00 0.00 H new ATOM 1702 N GLU B 135 0.258 9.037 -2.815 1.00 0.00 N ATOM 1703 CA GLU B 135 1.683 8.952 -2.534 1.00 0.00 C ATOM 1704 C GLU B 135 2.453 8.712 -3.832 1.00 0.00 C ATOM 1705 O GLU B 135 3.592 9.132 -3.972 1.00 0.00 O ATOM 1706 CB GLU B 135 1.976 7.838 -1.523 1.00 0.00 C ATOM 1707 CG GLU B 135 2.690 8.335 -0.269 1.00 0.00 C ATOM 1708 CD GLU B 135 1.745 8.705 0.864 1.00 0.00 C ATOM 1709 OE1 GLU B 135 0.517 8.734 0.641 1.00 0.00 O ATOM 1710 OE2 GLU B 135 2.237 8.967 1.978 1.00 0.00 O ATOM 0 H GLU B 135 -0.297 8.279 -2.418 1.00 0.00 H new ATOM 0 HA GLU B 135 2.008 9.896 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.039 7.362 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.587 7.073 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU B 135 3.376 7.562 0.079 1.00 0.00 H new ATOM 0 HG3 GLU B 135 3.294 9.205 -0.526 1.00 0.00 H new ATOM 1717 N ALA B 136 1.807 8.054 -4.792 1.00 0.00 N ATOM 1718 CA ALA B 136 2.408 7.776 -6.089 1.00 0.00 C ATOM 1719 C ALA B 136 2.659 9.074 -6.843 1.00 0.00 C ATOM 1720 O ALA B 136 3.755 9.305 -7.362 1.00 0.00 O ATOM 1721 CB ALA B 136 1.505 6.851 -6.896 1.00 0.00 C ATOM 0 H ALA B 136 0.856 7.701 -4.691 1.00 0.00 H new ATOM 0 HA ALA B 136 3.366 7.278 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.963 6.649 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.369 5.914 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.536 7.328 -7.045 1.00 0.00 H new ATOM 1727 N ARG B 137 1.648 9.940 -6.882 1.00 0.00 N ATOM 1728 CA ARG B 137 1.801 11.224 -7.553 1.00 0.00 C ATOM 1729 C ARG B 137 2.681 12.142 -6.738 1.00 0.00 C ATOM 1730 O ARG B 137 3.611 12.768 -7.247 1.00 0.00 O ATOM 1731 CB ARG B 137 0.466 11.921 -7.719 1.00 0.00 C ATOM 1732 CG ARG B 137 -0.002 12.010 -9.158 1.00 0.00 C ATOM 1733 CD ARG B 137 1.085 12.550 -10.084 1.00 0.00 C ATOM 1734 NE ARG B 137 1.026 11.925 -11.411 1.00 0.00 N ATOM 1735 CZ ARG B 137 2.013 11.939 -12.301 1.00 0.00 C ATOM 1736 NH1 ARG B 137 3.146 12.564 -12.048 1.00 0.00 N ATOM 1737 NH2 ARG B 137 1.861 11.319 -13.452 1.00 0.00 N ATOM 0 H ARG B 137 0.731 9.779 -6.465 1.00 0.00 H new ATOM 0 HA ARG B 137 2.243 11.020 -8.528 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -0.286 11.391 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG B 137 0.538 12.928 -7.307 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -0.311 11.022 -9.500 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -0.879 12.655 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG B 137 0.974 13.630 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG B 137 2.064 12.370 -9.640 1.00 0.00 H new ATOM 0 HE ARG B 137 0.164 11.445 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG B 137 3.275 13.046 -11.158 1.00 0.00 H new ATOM 0 HH12 ARG B 137 3.894 12.565 -12.742 1.00 0.00 H new ATOM 0 HH21 ARG B 137 0.989 10.831 -13.657 1.00 0.00 H new ATOM 0 HH22 ARG B 137 2.615 11.326 -14.139 1.00 0.00 H new ATOM 1751 N ARG B 138 2.319 12.252 -5.472 1.00 0.00 N ATOM 1752 CA ARG B 138 3.003 13.132 -4.549 1.00 0.00 C ATOM 1753 C ARG B 138 4.415 12.652 -4.164 1.00 0.00 C ATOM 1754 O ARG B 138 5.198 13.441 -3.637 1.00 0.00 O ATOM 1755 CB ARG B 138 2.153 13.350 -3.296 1.00 0.00 C ATOM 1756 CG ARG B 138 2.122 14.796 -2.799 1.00 0.00 C ATOM 1757 CD ARG B 138 2.581 15.799 -3.856 1.00 0.00 C ATOM 1758 NE ARG B 138 4.042 15.834 -3.963 1.00 0.00 N ATOM 1759 CZ ARG B 138 4.722 15.927 -5.097 1.00 0.00 C ATOM 1760 NH1 ARG B 138 4.103 16.137 -6.244 1.00 0.00 N ATOM 1761 NH2 ARG B 138 6.036 15.826 -5.076 1.00 0.00 N ATOM 0 H ARG B 138 1.544 11.734 -5.058 1.00 0.00 H new ATOM 0 HA ARG B 138 3.139 14.078 -5.074 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.133 13.028 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.533 12.712 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG B 138 1.108 15.045 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG B 138 2.759 14.886 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG B 138 2.150 15.534 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG B 138 2.210 16.792 -3.603 1.00 0.00 H new ATOM 0 HE ARG B 138 4.578 15.783 -3.097 1.00 0.00 H new ATOM 0 HH11 ARG B 138 3.087 16.230 -6.266 1.00 0.00 H new ATOM 0 HH12 ARG B 138 4.640 16.206 -7.108 1.00 0.00 H new ATOM 0 HH21 ARG B 138 6.522 15.677 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG B 138 6.567 15.896 -5.944 1.00 0.00 H new