USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 763 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 10 THR OG1 : rot -133:sc= 1.01 USER MOD Set 1.2: A 36 LYS NZ :NH3+ -157:sc= 1.09 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -166:sc=-0.00136 (180deg=-0.247) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0.00671 USER MOD Single : A 3 GLN : amide:sc=-0.00519 K(o=-0.0052,f=-1.6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0953 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.75! C(o=-2.8!,f=-2.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.88!) USER MOD Single : A 24 SER OG : rot -108:sc= 0.986 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -34:sc= 0.578 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.0823 K(o=0.082,f=-9.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0293 USER MOD Single : A 56 SER OG : rot 180:sc= -0.121 USER MOD Single : A 58 SER OG : rot 140:sc= -2.82 USER MOD Single : A 63 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-1.6) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= -0.217 (180deg=-0.358) USER MOD Single : A 74 ASN : amide:sc= -2.82! C(o=-2.8!,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ -128:sc= -0.221 (180deg=-1.07) USER MOD Single : A 81 SER OG : rot 41:sc= 1.43 USER MOD Single : A 86 THR OG1 : rot -65:sc= 1.06 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 91 HIS : no HD1:sc= -0.072 K(o=-0.072,f=-4.2!) USER MOD Single : A 92 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.55) USER MOD Single : A 93 HIS : no HD1:sc= -2.38 X(o=-2.4,f=-2.5!) USER MOD Single : A 94 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-2!) USER MOD Single : A 95 HIS : no HD1:sc=-0.00527 X(o=-0.0053,f=-0.24) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -25.809 17.185 -22.244 1.00 1.00 N ATOM 2 CA SER A 1 -24.951 16.325 -23.109 1.00 1.00 C ATOM 3 C SER A 1 -23.477 16.606 -22.814 1.00 1.00 C ATOM 4 O SER A 1 -22.644 15.702 -22.874 1.00 1.00 O ATOM 5 CB SER A 1 -25.254 16.622 -24.577 1.00 1.00 C ATOM 6 OG SER A 1 -24.479 15.759 -25.398 1.00 1.00 O ATOM 0 H1 SER A 1 -26.788 16.835 -22.268 1.00 1.00 H new ATOM 0 H2 SER A 1 -25.455 17.157 -21.266 1.00 1.00 H new ATOM 0 H3 SER A 1 -25.783 18.164 -22.593 1.00 1.00 H new ATOM 0 HA SER A 1 -25.160 15.275 -22.903 1.00 1.00 H new ATOM 0 HB2 SER A 1 -26.316 16.478 -24.778 1.00 1.00 H new ATOM 0 HB3 SER A 1 -25.025 17.663 -24.805 1.00 1.00 H new ATOM 0 HG SER A 1 -24.671 15.945 -26.341 1.00 1.00 H new ATOM 14 N SER A 2 -23.163 17.858 -22.498 1.00 1.00 N ATOM 15 CA SER A 2 -21.787 18.258 -22.196 1.00 1.00 C ATOM 16 C SER A 2 -21.396 17.734 -20.822 1.00 1.00 C ATOM 17 O SER A 2 -22.261 17.456 -19.991 1.00 1.00 O ATOM 18 CB SER A 2 -21.678 19.786 -22.211 1.00 1.00 C ATOM 19 OG SER A 2 -22.680 20.331 -21.358 1.00 1.00 O ATOM 0 H SER A 2 -23.842 18.617 -22.443 1.00 1.00 H new ATOM 0 HA SER A 2 -21.117 17.842 -22.949 1.00 1.00 H new ATOM 0 HB2 SER A 2 -20.688 20.096 -21.875 1.00 1.00 H new ATOM 0 HB3 SER A 2 -21.803 20.162 -23.226 1.00 1.00 H new ATOM 0 HG SER A 2 -22.616 21.309 -21.361 1.00 1.00 H new ATOM 25 N GLN A 3 -20.101 17.588 -20.564 1.00 1.00 N ATOM 26 CA GLN A 3 -19.611 17.088 -19.286 1.00 1.00 C ATOM 27 C GLN A 3 -20.269 15.758 -18.954 1.00 1.00 C ATOM 28 O GLN A 3 -21.306 15.703 -18.295 1.00 1.00 O ATOM 29 CB GLN A 3 -19.887 18.110 -18.178 1.00 1.00 C ATOM 30 CG GLN A 3 -19.257 17.638 -16.860 1.00 1.00 C ATOM 31 CD GLN A 3 -19.398 18.723 -15.793 1.00 1.00 C ATOM 32 OE1 GLN A 3 -19.669 19.880 -16.116 1.00 1.00 O ATOM 33 NE2 GLN A 3 -19.232 18.411 -14.537 1.00 1.00 N ATOM 0 H GLN A 3 -19.364 17.812 -21.233 1.00 1.00 H new ATOM 0 HA GLN A 3 -18.534 16.934 -19.359 1.00 1.00 H new ATOM 0 HB2 GLN A 3 -19.480 19.081 -18.458 1.00 1.00 H new ATOM 0 HB3 GLN A 3 -20.962 18.240 -18.051 1.00 1.00 H new ATOM 0 HG2 GLN A 3 -19.742 16.721 -16.524 1.00 1.00 H new ATOM 0 HG3 GLN A 3 -18.204 17.404 -17.015 1.00 1.00 H new ATOM 0 HE21 GLN A 3 -19.008 17.451 -14.275 1.00 1.00 H new ATOM 0 HE22 GLN A 3 -19.327 19.127 -13.817 1.00 1.00 H new ATOM 42 N THR A 4 -19.666 14.669 -19.418 1.00 1.00 N ATOM 43 CA THR A 4 -20.186 13.328 -19.165 1.00 1.00 C ATOM 44 C THR A 4 -19.559 12.769 -17.895 1.00 1.00 C ATOM 45 O THR A 4 -18.475 13.177 -17.476 1.00 1.00 O ATOM 46 CB THR A 4 -19.862 12.399 -20.347 1.00 1.00 C ATOM 47 OG1 THR A 4 -20.108 11.051 -19.963 1.00 1.00 O ATOM 48 CG2 THR A 4 -18.392 12.553 -20.745 1.00 1.00 C ATOM 0 H THR A 4 -18.812 14.688 -19.975 1.00 1.00 H new ATOM 0 HA THR A 4 -21.268 13.387 -19.046 1.00 1.00 H new ATOM 0 HB THR A 4 -20.492 12.664 -21.197 1.00 1.00 H new ATOM 0 HG1 THR A 4 -19.905 10.455 -20.714 1.00 1.00 H new ATOM 0 HG21 THR A 4 -18.171 11.892 -21.583 1.00 1.00 H new ATOM 0 HG22 THR A 4 -18.200 13.585 -21.037 1.00 1.00 H new ATOM 0 HG23 THR A 4 -17.757 12.292 -19.899 1.00 1.00 H new ATOM 56 N LEU A 5 -20.246 11.823 -17.263 1.00 1.00 N ATOM 57 CA LEU A 5 -19.755 11.210 -16.018 1.00 1.00 C ATOM 58 C LEU A 5 -19.456 9.730 -16.232 1.00 1.00 C ATOM 59 O LEU A 5 -20.223 8.999 -16.859 1.00 1.00 O ATOM 60 CB LEU A 5 -20.803 11.370 -14.899 1.00 1.00 C ATOM 61 CG LEU A 5 -22.233 11.025 -15.429 1.00 1.00 C ATOM 62 CD1 LEU A 5 -23.057 10.360 -14.319 1.00 1.00 C ATOM 63 CD2 LEU A 5 -22.957 12.310 -15.886 1.00 1.00 C ATOM 0 H LEU A 5 -21.143 11.460 -17.585 1.00 1.00 H new ATOM 0 HA LEU A 5 -18.835 11.717 -15.725 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -20.552 10.717 -14.063 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -20.786 12.392 -14.522 1.00 1.00 H new ATOM 0 HG LEU A 5 -22.132 10.343 -16.273 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -24.052 10.123 -14.697 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -22.563 9.443 -13.998 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -23.143 11.041 -13.472 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -23.952 12.056 -16.253 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -23.045 12.997 -15.044 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -22.386 12.785 -16.684 1.00 1.00 H new ATOM 75 N ASP A 6 -18.320 9.291 -15.701 1.00 1.00 N ATOM 76 CA ASP A 6 -17.892 7.900 -15.822 1.00 1.00 C ATOM 77 C ASP A 6 -16.528 7.714 -15.131 1.00 1.00 C ATOM 78 O ASP A 6 -16.388 7.931 -13.927 1.00 1.00 O ATOM 79 CB ASP A 6 -17.792 7.494 -17.311 1.00 1.00 C ATOM 80 CG ASP A 6 -17.372 6.034 -17.441 1.00 1.00 C ATOM 81 OD1 ASP A 6 -17.403 5.336 -16.441 1.00 1.00 O ATOM 82 OD2 ASP A 6 -17.024 5.639 -18.539 1.00 1.00 O ATOM 0 H ASP A 6 -17.674 9.883 -15.179 1.00 1.00 H new ATOM 0 HA ASP A 6 -18.630 7.261 -15.338 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -18.754 7.647 -17.801 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -17.070 8.133 -17.820 1.00 1.00 H new ATOM 87 N ARG A 7 -15.527 7.316 -15.911 1.00 1.00 N ATOM 88 CA ARG A 7 -14.175 7.116 -15.406 1.00 1.00 C ATOM 89 C ARG A 7 -14.137 6.047 -14.314 1.00 1.00 C ATOM 90 O ARG A 7 -14.533 4.903 -14.535 1.00 1.00 O ATOM 91 CB ARG A 7 -13.610 8.442 -14.882 1.00 1.00 C ATOM 92 CG ARG A 7 -13.818 9.553 -15.929 1.00 1.00 C ATOM 93 CD ARG A 7 -13.088 9.205 -17.232 1.00 1.00 C ATOM 94 NE ARG A 7 -12.996 10.393 -18.067 1.00 1.00 N ATOM 95 CZ ARG A 7 -14.042 10.844 -18.750 1.00 1.00 C ATOM 96 NH1 ARG A 7 -15.192 10.223 -18.674 1.00 1.00 N ATOM 97 NH2 ARG A 7 -13.919 11.911 -19.483 1.00 1.00 N ATOM 0 H ARG A 7 -15.631 7.124 -16.907 1.00 1.00 H new ATOM 0 HA ARG A 7 -13.554 6.765 -16.230 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -14.103 8.713 -13.949 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -12.548 8.333 -14.662 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -14.882 9.682 -16.125 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -13.448 10.502 -15.540 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -12.091 8.823 -17.012 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -13.622 8.416 -17.761 1.00 1.00 H new ATOM 0 HE ARG A 7 -12.108 10.891 -18.129 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -15.285 9.392 -18.090 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -15.995 10.570 -19.199 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -13.023 12.396 -19.531 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -14.718 12.263 -20.010 1.00 1.00 H new ATOM 111 N ASP A 8 -13.648 6.406 -13.132 1.00 1.00 N ATOM 112 CA ASP A 8 -13.533 5.477 -12.016 1.00 1.00 C ATOM 113 C ASP A 8 -12.966 4.103 -12.433 1.00 1.00 C ATOM 114 O ASP A 8 -13.581 3.071 -12.161 1.00 1.00 O ATOM 115 CB ASP A 8 -14.913 5.317 -11.355 1.00 1.00 C ATOM 116 CG ASP A 8 -15.874 4.587 -12.284 1.00 1.00 C ATOM 117 OD1 ASP A 8 -16.480 5.248 -13.112 1.00 1.00 O ATOM 118 OD2 ASP A 8 -15.998 3.380 -12.155 1.00 1.00 O ATOM 0 H ASP A 8 -13.321 7.349 -12.922 1.00 1.00 H new ATOM 0 HA ASP A 8 -12.820 5.894 -11.305 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -14.812 4.764 -10.421 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -15.317 6.298 -11.103 1.00 1.00 H new ATOM 123 N PRO A 9 -11.828 4.038 -13.069 1.00 1.00 N ATOM 124 CA PRO A 9 -11.211 2.744 -13.496 1.00 1.00 C ATOM 125 C PRO A 9 -10.285 2.147 -12.430 1.00 1.00 C ATOM 126 O PRO A 9 -10.111 2.684 -11.336 1.00 1.00 O ATOM 127 CB PRO A 9 -10.418 3.126 -14.769 1.00 1.00 C ATOM 128 CG PRO A 9 -10.081 4.606 -14.612 1.00 1.00 C ATOM 129 CD PRO A 9 -10.962 5.178 -13.471 1.00 1.00 C ATOM 0 HA PRO A 9 -11.962 1.973 -13.665 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -9.513 2.525 -14.862 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -11.010 2.952 -15.667 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -9.024 4.734 -14.378 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -10.268 5.141 -15.543 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -10.354 5.529 -12.637 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -11.555 6.026 -13.813 1.00 1.00 H new ATOM 137 N THR A 10 -9.674 1.016 -12.767 1.00 1.00 N ATOM 138 CA THR A 10 -8.752 0.333 -11.853 1.00 1.00 C ATOM 139 C THR A 10 -7.344 0.914 -11.983 1.00 1.00 C ATOM 140 O THR A 10 -6.686 0.788 -13.016 1.00 1.00 O ATOM 141 CB THR A 10 -8.703 -1.162 -12.185 1.00 1.00 C ATOM 142 OG1 THR A 10 -10.017 -1.692 -12.149 1.00 1.00 O ATOM 143 CG2 THR A 10 -7.826 -1.893 -11.159 1.00 1.00 C ATOM 0 H THR A 10 -9.798 0.549 -13.665 1.00 1.00 H new ATOM 0 HA THR A 10 -9.110 0.476 -10.833 1.00 1.00 H new ATOM 0 HB THR A 10 -8.279 -1.299 -13.180 1.00 1.00 H new ATOM 0 HG1 THR A 10 -10.019 -2.527 -11.636 1.00 1.00 H new ATOM 0 HG21 THR A 10 -7.794 -2.956 -11.399 1.00 1.00 H new ATOM 0 HG22 THR A 10 -6.816 -1.484 -11.187 1.00 1.00 H new ATOM 0 HG23 THR A 10 -8.244 -1.759 -10.161 1.00 1.00 H new ATOM 151 N LEU A 11 -6.883 1.562 -10.919 1.00 1.00 N ATOM 152 CA LEU A 11 -5.549 2.183 -10.914 1.00 1.00 C ATOM 153 C LEU A 11 -4.583 1.366 -10.073 1.00 1.00 C ATOM 154 O LEU A 11 -4.924 0.863 -9.002 1.00 1.00 O ATOM 155 CB LEU A 11 -5.653 3.604 -10.358 1.00 1.00 C ATOM 156 CG LEU A 11 -6.600 4.448 -11.249 1.00 1.00 C ATOM 157 CD1 LEU A 11 -6.879 5.792 -10.562 1.00 1.00 C ATOM 158 CD2 LEU A 11 -5.973 4.704 -12.644 1.00 1.00 C ATOM 0 H LEU A 11 -7.404 1.675 -10.050 1.00 1.00 H new ATOM 0 HA LEU A 11 -5.170 2.217 -11.936 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -6.029 3.578 -9.335 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -4.665 4.064 -10.323 1.00 1.00 H new ATOM 0 HG LEU A 11 -7.529 3.895 -11.386 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -7.545 6.388 -11.186 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -7.349 5.615 -9.595 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -5.941 6.328 -10.417 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -6.659 5.298 -13.248 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -5.033 5.243 -12.527 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -5.786 3.751 -13.139 1.00 1.00 H new ATOM 170 N THR A 12 -3.354 1.226 -10.561 1.00 1.00 N ATOM 171 CA THR A 12 -2.326 0.455 -9.855 1.00 1.00 C ATOM 172 C THR A 12 -1.369 1.391 -9.119 1.00 1.00 C ATOM 173 O THR A 12 -0.766 2.286 -9.711 1.00 1.00 O ATOM 174 CB THR A 12 -1.543 -0.401 -10.855 1.00 1.00 C ATOM 175 OG1 THR A 12 -2.445 -1.238 -11.566 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.525 -1.271 -10.107 1.00 1.00 C ATOM 0 H THR A 12 -3.042 1.635 -11.442 1.00 1.00 H new ATOM 0 HA THR A 12 -2.814 -0.192 -9.126 1.00 1.00 H new ATOM 0 HB THR A 12 -1.017 0.250 -11.553 1.00 1.00 H new ATOM 0 HG1 THR A 12 -1.946 -1.786 -12.208 1.00 1.00 H new ATOM 0 HG21 THR A 12 0.030 -1.878 -10.822 1.00 1.00 H new ATOM 0 HG22 THR A 12 0.168 -0.632 -9.560 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.048 -1.922 -9.407 1.00 1.00 H new ATOM 184 N LEU A 13 -1.236 1.169 -7.816 1.00 1.00 N ATOM 185 CA LEU A 13 -0.351 1.992 -6.968 1.00 1.00 C ATOM 186 C LEU A 13 0.884 1.182 -6.561 1.00 1.00 C ATOM 187 O LEU A 13 0.774 0.052 -6.084 1.00 1.00 O ATOM 188 CB LEU A 13 -1.125 2.450 -5.704 1.00 1.00 C ATOM 189 CG LEU A 13 -1.987 3.695 -6.011 1.00 1.00 C ATOM 190 CD1 LEU A 13 -2.950 3.419 -7.178 1.00 1.00 C ATOM 191 CD2 LEU A 13 -2.781 4.071 -4.754 1.00 1.00 C ATOM 0 H LEU A 13 -1.726 0.428 -7.314 1.00 1.00 H new ATOM 0 HA LEU A 13 -0.027 2.869 -7.529 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.762 1.640 -5.348 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -0.421 2.678 -4.903 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.335 4.519 -6.300 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.546 4.310 -7.376 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.378 3.160 -8.069 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -3.610 2.591 -6.917 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -3.393 4.949 -4.959 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -3.424 3.239 -4.468 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -2.091 4.293 -3.940 1.00 1.00 H new ATOM 203 N SER A 14 2.062 1.775 -6.732 1.00 1.00 N ATOM 204 CA SER A 14 3.303 1.103 -6.363 1.00 1.00 C ATOM 205 C SER A 14 3.481 1.121 -4.851 1.00 1.00 C ATOM 206 O SER A 14 3.637 2.182 -4.246 1.00 1.00 O ATOM 207 CB SER A 14 4.489 1.803 -7.021 1.00 1.00 C ATOM 208 OG SER A 14 5.667 1.049 -6.775 1.00 1.00 O ATOM 0 H SER A 14 2.183 2.711 -7.120 1.00 1.00 H new ATOM 0 HA SER A 14 3.255 0.069 -6.706 1.00 1.00 H new ATOM 0 HB2 SER A 14 4.321 1.899 -8.094 1.00 1.00 H new ATOM 0 HB3 SER A 14 4.598 2.812 -6.623 1.00 1.00 H new ATOM 0 HG SER A 14 6.433 1.492 -7.196 1.00 1.00 H new ATOM 214 N LEU A 15 3.453 -0.055 -4.233 1.00 1.00 N ATOM 215 CA LEU A 15 3.589 -0.160 -2.783 1.00 1.00 C ATOM 216 C LEU A 15 5.005 0.200 -2.342 1.00 1.00 C ATOM 217 O LEU A 15 5.947 -0.571 -2.527 1.00 1.00 O ATOM 218 CB LEU A 15 3.272 -1.600 -2.356 1.00 1.00 C ATOM 219 CG LEU A 15 3.258 -1.730 -0.813 1.00 1.00 C ATOM 220 CD1 LEU A 15 2.117 -0.892 -0.189 1.00 1.00 C ATOM 221 CD2 LEU A 15 3.079 -3.212 -0.442 1.00 1.00 C ATOM 0 H LEU A 15 3.338 -0.948 -4.712 1.00 1.00 H new ATOM 0 HA LEU A 15 2.895 0.536 -2.312 1.00 1.00 H new ATOM 0 HB2 LEU A 15 2.304 -1.898 -2.759 1.00 1.00 H new ATOM 0 HB3 LEU A 15 4.014 -2.279 -2.775 1.00 1.00 H new ATOM 0 HG LEU A 15 4.202 -1.353 -0.420 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.134 -1.004 0.895 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.254 0.158 -0.447 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.158 -1.239 -0.575 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.068 -3.317 0.643 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.138 -3.579 -0.852 1.00 1.00 H new ATOM 0 HD23 LEU A 15 3.905 -3.792 -0.854 1.00 1.00 H new ATOM 233 N ILE A 16 5.157 1.381 -1.750 1.00 1.00 N ATOM 234 CA ILE A 16 6.464 1.855 -1.262 1.00 1.00 C ATOM 235 C ILE A 16 6.442 2.070 0.256 1.00 1.00 C ATOM 236 O ILE A 16 5.454 2.527 0.830 1.00 1.00 O ATOM 237 CB ILE A 16 6.849 3.156 -1.983 1.00 1.00 C ATOM 238 CG1 ILE A 16 5.750 4.225 -1.794 1.00 1.00 C ATOM 239 CG2 ILE A 16 7.027 2.867 -3.478 1.00 1.00 C ATOM 240 CD1 ILE A 16 6.255 5.576 -2.308 1.00 1.00 C ATOM 0 H ILE A 16 4.391 2.036 -1.592 1.00 1.00 H new ATOM 0 HA ILE A 16 7.211 1.091 -1.480 1.00 1.00 H new ATOM 0 HB ILE A 16 7.780 3.534 -1.561 1.00 1.00 H new ATOM 0 HG12 ILE A 16 4.848 3.933 -2.333 1.00 1.00 H new ATOM 0 HG13 ILE A 16 5.481 4.303 -0.741 1.00 1.00 H new ATOM 0 HG21 ILE A 16 7.300 3.786 -3.996 1.00 1.00 H new ATOM 0 HG22 ILE A 16 7.814 2.126 -3.614 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.093 2.483 -3.888 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.479 6.329 -2.174 1.00 1.00 H new ATOM 0 HD12 ILE A 16 7.144 5.868 -1.750 1.00 1.00 H new ATOM 0 HD13 ILE A 16 6.502 5.493 -3.366 1.00 1.00 H new ATOM 252 N ALA A 17 7.548 1.744 0.917 1.00 1.00 N ATOM 253 CA ALA A 17 7.658 1.897 2.373 1.00 1.00 C ATOM 254 C ALA A 17 7.920 3.359 2.747 1.00 1.00 C ATOM 255 O ALA A 17 8.908 3.960 2.327 1.00 1.00 O ATOM 256 CB ALA A 17 8.802 1.015 2.898 1.00 1.00 C ATOM 0 H ALA A 17 8.386 1.371 0.471 1.00 1.00 H new ATOM 0 HA ALA A 17 6.717 1.587 2.828 1.00 1.00 H new ATOM 0 HB1 ALA A 17 8.883 1.129 3.979 1.00 1.00 H new ATOM 0 HB2 ALA A 17 8.597 -0.028 2.658 1.00 1.00 H new ATOM 0 HB3 ALA A 17 9.739 1.318 2.430 1.00 1.00 H new ATOM 262 N LYS A 18 7.028 3.928 3.552 1.00 1.00 N ATOM 263 CA LYS A 18 7.169 5.334 3.988 1.00 1.00 C ATOM 264 C LYS A 18 7.415 5.402 5.486 1.00 1.00 C ATOM 265 O LYS A 18 6.740 6.142 6.201 1.00 1.00 O ATOM 266 CB LYS A 18 5.890 6.115 3.635 1.00 1.00 C ATOM 267 CG LYS A 18 6.162 7.633 3.651 1.00 1.00 C ATOM 268 CD LYS A 18 4.913 8.381 3.189 1.00 1.00 C ATOM 269 CE LYS A 18 5.198 9.886 3.171 1.00 1.00 C ATOM 270 NZ LYS A 18 3.980 10.609 2.704 1.00 1.00 N ATOM 0 H LYS A 18 6.204 3.452 3.919 1.00 1.00 H new ATOM 0 HA LYS A 18 8.021 5.779 3.473 1.00 1.00 H new ATOM 0 HB2 LYS A 18 5.533 5.814 2.650 1.00 1.00 H new ATOM 0 HB3 LYS A 18 5.101 5.873 4.347 1.00 1.00 H new ATOM 0 HG2 LYS A 18 6.439 7.953 4.656 1.00 1.00 H new ATOM 0 HG3 LYS A 18 7.002 7.869 2.998 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.621 8.043 2.195 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.079 8.166 3.857 1.00 1.00 H new ATOM 0 HE2 LYS A 18 5.479 10.227 4.167 1.00 1.00 H new ATOM 0 HE3 LYS A 18 6.039 10.101 2.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 4.168 11.632 2.690 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 3.732 10.289 1.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 3.190 10.411 3.350 1.00 1.00 H new ATOM 284 N ASN A 19 8.381 4.630 5.970 1.00 1.00 N ATOM 285 CA ASN A 19 8.699 4.614 7.396 1.00 1.00 C ATOM 286 C ASN A 19 9.714 3.516 7.673 1.00 1.00 C ATOM 287 O ASN A 19 9.679 2.897 8.738 1.00 1.00 O ATOM 288 CB ASN A 19 7.398 4.395 8.241 1.00 1.00 C ATOM 289 CG ASN A 19 6.870 5.724 8.776 1.00 1.00 C ATOM 290 OD1 ASN A 19 7.618 6.486 9.382 1.00 1.00 O ATOM 291 ND2 ASN A 19 5.624 6.046 8.576 1.00 1.00 N ATOM 0 H ASN A 19 8.956 4.009 5.401 1.00 1.00 H new ATOM 0 HA ASN A 19 9.128 5.574 7.683 1.00 1.00 H new ATOM 0 HB2 ASN A 19 6.636 3.916 7.626 1.00 1.00 H new ATOM 0 HB3 ASN A 19 7.607 3.721 9.071 1.00 1.00 H new ATOM 0 HD21 ASN A 19 5.265 6.935 8.923 1.00 1.00 H new ATOM 0 HD22 ASN A 19 5.007 5.409 8.072 1.00 1.00 H new ATOM 298 N THR A 20 10.620 3.272 6.733 1.00 1.00 N ATOM 299 CA THR A 20 11.623 2.225 6.899 1.00 1.00 C ATOM 300 C THR A 20 12.665 2.605 7.978 1.00 1.00 C ATOM 301 O THR A 20 13.452 3.525 7.751 1.00 1.00 O ATOM 302 CB THR A 20 12.342 1.978 5.568 1.00 1.00 C ATOM 303 OG1 THR A 20 11.363 1.800 4.558 1.00 1.00 O ATOM 304 CG2 THR A 20 13.203 0.705 5.671 1.00 1.00 C ATOM 0 H THR A 20 10.681 3.782 5.852 1.00 1.00 H new ATOM 0 HA THR A 20 11.109 1.319 7.221 1.00 1.00 H new ATOM 0 HB THR A 20 12.985 2.825 5.329 1.00 1.00 H new ATOM 0 HG1 THR A 20 11.805 1.642 3.698 1.00 1.00 H new ATOM 0 HG21 THR A 20 13.713 0.533 4.723 1.00 1.00 H new ATOM 0 HG22 THR A 20 13.942 0.829 6.463 1.00 1.00 H new ATOM 0 HG23 THR A 20 12.565 -0.148 5.900 1.00 1.00 H new ATOM 312 N PRO A 21 12.709 1.932 9.096 1.00 1.00 N ATOM 313 CA PRO A 21 13.715 2.239 10.167 1.00 1.00 C ATOM 314 C PRO A 21 15.153 2.136 9.645 1.00 1.00 C ATOM 315 O PRO A 21 15.465 1.297 8.801 1.00 1.00 O ATOM 316 CB PRO A 21 13.443 1.172 11.266 1.00 1.00 C ATOM 317 CG PRO A 21 12.042 0.691 11.003 1.00 1.00 C ATOM 318 CD PRO A 21 11.834 0.806 9.500 1.00 1.00 C ATOM 0 HA PRO A 21 13.616 3.259 10.537 1.00 1.00 H new ATOM 0 HB2 PRO A 21 14.159 0.353 11.207 1.00 1.00 H new ATOM 0 HB3 PRO A 21 13.532 1.601 12.264 1.00 1.00 H new ATOM 0 HG2 PRO A 21 11.914 -0.339 11.337 1.00 1.00 H new ATOM 0 HG3 PRO A 21 11.314 1.295 11.545 1.00 1.00 H new ATOM 0 HD2 PRO A 21 12.110 -0.116 8.988 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.790 1.006 9.257 1.00 1.00 H new ATOM 326 N ALA A 22 16.040 2.985 10.156 1.00 1.00 N ATOM 327 CA ALA A 22 17.440 2.993 9.752 1.00 1.00 C ATOM 328 C ALA A 22 18.155 1.714 10.192 1.00 1.00 C ATOM 329 O ALA A 22 17.822 1.091 11.200 1.00 1.00 O ATOM 330 CB ALA A 22 18.144 4.208 10.361 1.00 1.00 C ATOM 0 H ALA A 22 15.808 3.685 10.860 1.00 1.00 H new ATOM 0 HA ALA A 22 17.478 3.047 8.664 1.00 1.00 H new ATOM 0 HB1 ALA A 22 19.191 4.212 10.058 1.00 1.00 H new ATOM 0 HB2 ALA A 22 17.662 5.121 10.012 1.00 1.00 H new ATOM 0 HB3 ALA A 22 18.082 4.158 11.448 1.00 1.00 H new ATOM 336 N ASN A 23 19.162 1.318 9.421 1.00 1.00 N ATOM 337 CA ASN A 23 19.953 0.115 9.717 1.00 1.00 C ATOM 338 C ASN A 23 19.117 -1.150 9.542 1.00 1.00 C ATOM 339 O ASN A 23 19.550 -2.249 9.882 1.00 1.00 O ATOM 340 CB ASN A 23 20.507 0.174 11.157 1.00 1.00 C ATOM 341 CG ASN A 23 21.630 -0.844 11.333 1.00 1.00 C ATOM 342 OD1 ASN A 23 21.370 -2.028 11.536 1.00 1.00 O ATOM 343 ND2 ASN A 23 22.868 -0.445 11.274 1.00 1.00 N ATOM 0 H ASN A 23 19.456 1.813 8.579 1.00 1.00 H new ATOM 0 HA ASN A 23 20.784 0.083 9.012 1.00 1.00 H new ATOM 0 HB2 ASN A 23 20.878 1.176 11.371 1.00 1.00 H new ATOM 0 HB3 ASN A 23 19.708 -0.028 11.870 1.00 1.00 H new ATOM 0 HD21 ASN A 23 23.626 -1.116 11.396 1.00 1.00 H new ATOM 0 HD22 ASN A 23 23.079 0.538 11.105 1.00 1.00 H new ATOM 350 N SER A 24 17.908 -0.995 9.010 1.00 1.00 N ATOM 351 CA SER A 24 17.000 -2.135 8.792 1.00 1.00 C ATOM 352 C SER A 24 16.772 -2.359 7.302 1.00 1.00 C ATOM 353 O SER A 24 16.850 -1.438 6.488 1.00 1.00 O ATOM 354 CB SER A 24 15.657 -1.869 9.492 1.00 1.00 C ATOM 355 OG SER A 24 14.850 -1.052 8.657 1.00 1.00 O ATOM 0 H SER A 24 17.527 -0.094 8.719 1.00 1.00 H new ATOM 0 HA SER A 24 17.456 -3.031 9.212 1.00 1.00 H new ATOM 0 HB2 SER A 24 15.149 -2.811 9.701 1.00 1.00 H new ATOM 0 HB3 SER A 24 15.824 -1.378 10.451 1.00 1.00 H new ATOM 0 HG SER A 24 14.793 -0.151 9.038 1.00 1.00 H new ATOM 361 N MET A 25 16.489 -3.605 6.944 1.00 1.00 N ATOM 362 CA MET A 25 16.245 -3.969 5.546 1.00 1.00 C ATOM 363 C MET A 25 15.122 -4.998 5.461 1.00 1.00 C ATOM 364 O MET A 25 15.210 -6.093 6.017 1.00 1.00 O ATOM 365 CB MET A 25 17.530 -4.532 4.928 1.00 1.00 C ATOM 366 CG MET A 25 17.290 -4.894 3.459 1.00 1.00 C ATOM 367 SD MET A 25 18.866 -5.318 2.674 1.00 1.00 S ATOM 368 CE MET A 25 18.899 -7.074 3.114 1.00 1.00 C ATOM 0 H MET A 25 16.422 -4.384 7.599 1.00 1.00 H new ATOM 0 HA MET A 25 15.944 -3.080 4.991 1.00 1.00 H new ATOM 0 HB2 MET A 25 18.332 -3.798 5.004 1.00 1.00 H new ATOM 0 HB3 MET A 25 17.853 -5.414 5.481 1.00 1.00 H new ATOM 0 HG2 MET A 25 16.599 -5.734 3.389 1.00 1.00 H new ATOM 0 HG3 MET A 25 16.826 -4.056 2.938 1.00 1.00 H new ATOM 0 HE1 MET A 25 19.806 -7.531 2.718 1.00 1.00 H new ATOM 0 HE2 MET A 25 18.884 -7.178 4.199 1.00 1.00 H new ATOM 0 HE3 MET A 25 18.027 -7.572 2.690 1.00 1.00 H new ATOM 378 N ILE A 26 14.056 -4.644 4.753 1.00 1.00 N ATOM 379 CA ILE A 26 12.901 -5.528 4.609 1.00 1.00 C ATOM 380 C ILE A 26 13.234 -6.707 3.690 1.00 1.00 C ATOM 381 O ILE A 26 13.531 -6.536 2.508 1.00 1.00 O ATOM 382 CB ILE A 26 11.717 -4.748 4.016 1.00 1.00 C ATOM 383 CG1 ILE A 26 11.399 -3.536 4.913 1.00 1.00 C ATOM 384 CG2 ILE A 26 10.482 -5.666 3.950 1.00 1.00 C ATOM 385 CD1 ILE A 26 10.390 -2.625 4.214 1.00 1.00 C ATOM 0 H ILE A 26 13.966 -3.751 4.269 1.00 1.00 H new ATOM 0 HA ILE A 26 12.637 -5.909 5.596 1.00 1.00 H new ATOM 0 HB ILE A 26 11.975 -4.405 3.014 1.00 1.00 H new ATOM 0 HG12 ILE A 26 10.997 -3.874 5.868 1.00 1.00 H new ATOM 0 HG13 ILE A 26 12.313 -2.983 5.130 1.00 1.00 H new ATOM 0 HG21 ILE A 26 9.641 -5.115 3.530 1.00 1.00 H new ATOM 0 HG22 ILE A 26 10.702 -6.528 3.320 1.00 1.00 H new ATOM 0 HG23 ILE A 26 10.227 -6.006 4.954 1.00 1.00 H new ATOM 0 HD11 ILE A 26 10.169 -1.770 4.852 1.00 1.00 H new ATOM 0 HD12 ILE A 26 10.809 -2.275 3.270 1.00 1.00 H new ATOM 0 HD13 ILE A 26 9.472 -3.180 4.020 1.00 1.00 H new ATOM 397 N MET A 27 13.166 -7.915 4.242 1.00 1.00 N ATOM 398 CA MET A 27 13.436 -9.128 3.461 1.00 1.00 C ATOM 399 C MET A 27 12.177 -9.551 2.710 1.00 1.00 C ATOM 400 O MET A 27 11.662 -10.656 2.878 1.00 1.00 O ATOM 401 CB MET A 27 13.898 -10.252 4.393 1.00 1.00 C ATOM 402 CG MET A 27 15.285 -9.923 4.951 1.00 1.00 C ATOM 403 SD MET A 27 15.850 -11.283 6.008 1.00 1.00 S ATOM 404 CE MET A 27 16.626 -12.295 4.724 1.00 1.00 C ATOM 0 H MET A 27 12.928 -8.084 5.219 1.00 1.00 H new ATOM 0 HA MET A 27 14.225 -8.922 2.738 1.00 1.00 H new ATOM 0 HB2 MET A 27 13.187 -10.375 5.210 1.00 1.00 H new ATOM 0 HB3 MET A 27 13.928 -11.197 3.851 1.00 1.00 H new ATOM 0 HG2 MET A 27 15.989 -9.766 4.134 1.00 1.00 H new ATOM 0 HG3 MET A 27 15.248 -8.995 5.522 1.00 1.00 H new ATOM 0 HE1 MET A 27 17.043 -13.196 5.174 1.00 1.00 H new ATOM 0 HE2 MET A 27 15.880 -12.573 3.979 1.00 1.00 H new ATOM 0 HE3 MET A 27 17.423 -11.726 4.244 1.00 1.00 H new ATOM 414 N THR A 28 11.670 -8.654 1.869 1.00 1.00 N ATOM 415 CA THR A 28 10.468 -8.917 1.080 1.00 1.00 C ATOM 416 C THR A 28 10.355 -7.880 -0.028 1.00 1.00 C ATOM 417 O THR A 28 10.414 -6.676 0.223 1.00 1.00 O ATOM 418 CB THR A 28 9.214 -8.862 1.973 1.00 1.00 C ATOM 419 OG1 THR A 28 9.410 -9.691 3.109 1.00 1.00 O ATOM 420 CG2 THR A 28 7.991 -9.348 1.190 1.00 1.00 C ATOM 0 H THR A 28 12.076 -7.731 1.715 1.00 1.00 H new ATOM 0 HA THR A 28 10.541 -9.914 0.645 1.00 1.00 H new ATOM 0 HB THR A 28 9.046 -7.834 2.292 1.00 1.00 H new ATOM 0 HG1 THR A 28 9.955 -10.466 2.858 1.00 1.00 H new ATOM 0 HG21 THR A 28 7.109 -9.306 1.829 1.00 1.00 H new ATOM 0 HG22 THR A 28 7.839 -8.710 0.320 1.00 1.00 H new ATOM 0 HG23 THR A 28 8.153 -10.375 0.863 1.00 1.00 H new ATOM 428 N LYS A 29 10.181 -8.317 -1.271 1.00 1.00 N ATOM 429 CA LYS A 29 10.070 -7.391 -2.390 1.00 1.00 C ATOM 430 C LYS A 29 8.781 -6.600 -2.304 1.00 1.00 C ATOM 431 O LYS A 29 7.831 -7.005 -1.635 1.00 1.00 O ATOM 432 CB LYS A 29 10.125 -8.163 -3.712 1.00 1.00 C ATOM 433 CG LYS A 29 10.138 -7.174 -4.896 1.00 1.00 C ATOM 434 CD LYS A 29 10.469 -7.910 -6.206 1.00 1.00 C ATOM 435 CE LYS A 29 9.335 -8.870 -6.594 1.00 1.00 C ATOM 436 NZ LYS A 29 9.553 -9.339 -7.987 1.00 1.00 N ATOM 0 H LYS A 29 10.114 -9.302 -1.527 1.00 1.00 H new ATOM 0 HA LYS A 29 10.906 -6.693 -2.347 1.00 1.00 H new ATOM 0 HB2 LYS A 29 11.016 -8.790 -3.740 1.00 1.00 H new ATOM 0 HB3 LYS A 29 9.265 -8.828 -3.791 1.00 1.00 H new ATOM 0 HG2 LYS A 29 9.167 -6.686 -4.981 1.00 1.00 H new ATOM 0 HG3 LYS A 29 10.874 -6.391 -4.716 1.00 1.00 H new ATOM 0 HD2 LYS A 29 10.628 -7.186 -7.005 1.00 1.00 H new ATOM 0 HD3 LYS A 29 11.399 -8.466 -6.091 1.00 1.00 H new ATOM 0 HE2 LYS A 29 9.310 -9.719 -5.911 1.00 1.00 H new ATOM 0 HE3 LYS A 29 8.371 -8.367 -6.513 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 8.789 -9.990 -8.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 9.557 -8.523 -8.631 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 10.466 -9.833 -8.048 1.00 1.00 H new ATOM 450 N LEU A 30 8.751 -5.450 -2.970 1.00 1.00 N ATOM 451 CA LEU A 30 7.564 -4.565 -2.942 1.00 1.00 C ATOM 452 C LEU A 30 6.661 -4.745 -4.197 1.00 1.00 C ATOM 453 O LEU A 30 6.937 -4.137 -5.232 1.00 1.00 O ATOM 454 CB LEU A 30 8.045 -3.104 -2.841 1.00 1.00 C ATOM 455 CG LEU A 30 8.382 -2.760 -1.360 1.00 1.00 C ATOM 456 CD1 LEU A 30 7.094 -2.769 -0.470 1.00 1.00 C ATOM 457 CD2 LEU A 30 9.415 -3.782 -0.813 1.00 1.00 C ATOM 0 H LEU A 30 9.524 -5.100 -3.536 1.00 1.00 H new ATOM 0 HA LEU A 30 6.957 -4.832 -2.077 1.00 1.00 H new ATOM 0 HB2 LEU A 30 8.925 -2.957 -3.467 1.00 1.00 H new ATOM 0 HB3 LEU A 30 7.273 -2.431 -3.214 1.00 1.00 H new ATOM 0 HG LEU A 30 8.806 -1.756 -1.326 1.00 1.00 H new ATOM 0 HD11 LEU A 30 7.361 -2.525 0.558 1.00 1.00 H new ATOM 0 HD12 LEU A 30 6.387 -2.030 -0.846 1.00 1.00 H new ATOM 0 HD13 LEU A 30 6.637 -3.758 -0.502 1.00 1.00 H new ATOM 0 HD21 LEU A 30 9.651 -3.541 0.224 1.00 1.00 H new ATOM 0 HD22 LEU A 30 8.996 -4.787 -0.866 1.00 1.00 H new ATOM 0 HD23 LEU A 30 10.324 -3.736 -1.412 1.00 1.00 H new ATOM 469 N PRO A 31 5.624 -5.531 -4.109 1.00 1.00 N ATOM 470 CA PRO A 31 4.696 -5.761 -5.250 1.00 1.00 C ATOM 471 C PRO A 31 3.582 -4.706 -5.328 1.00 1.00 C ATOM 472 O PRO A 31 3.154 -4.128 -4.330 1.00 1.00 O ATOM 473 CB PRO A 31 4.134 -7.156 -4.928 1.00 1.00 C ATOM 474 CG PRO A 31 4.010 -7.165 -3.430 1.00 1.00 C ATOM 475 CD PRO A 31 5.175 -6.307 -2.918 1.00 1.00 C ATOM 0 HA PRO A 31 5.186 -5.692 -6.221 1.00 1.00 H new ATOM 0 HB2 PRO A 31 3.169 -7.318 -5.409 1.00 1.00 H new ATOM 0 HB3 PRO A 31 4.800 -7.945 -5.278 1.00 1.00 H new ATOM 0 HG2 PRO A 31 3.051 -6.755 -3.113 1.00 1.00 H new ATOM 0 HG3 PRO A 31 4.068 -8.180 -3.037 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.856 -5.646 -2.112 1.00 1.00 H new ATOM 0 HD3 PRO A 31 5.980 -6.927 -2.523 1.00 1.00 H new ATOM 483 N SER A 32 3.089 -4.466 -6.540 1.00 1.00 N ATOM 484 CA SER A 32 2.018 -3.500 -6.762 1.00 1.00 C ATOM 485 C SER A 32 0.704 -3.985 -6.150 1.00 1.00 C ATOM 486 O SER A 32 0.627 -5.084 -5.598 1.00 1.00 O ATOM 487 CB SER A 32 1.822 -3.281 -8.261 1.00 1.00 C ATOM 488 OG SER A 32 1.314 -4.478 -8.847 1.00 1.00 O ATOM 0 H SER A 32 3.416 -4.930 -7.387 1.00 1.00 H new ATOM 0 HA SER A 32 2.303 -2.564 -6.282 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.131 -2.456 -8.433 1.00 1.00 H new ATOM 0 HB3 SER A 32 2.768 -3.007 -8.727 1.00 1.00 H new ATOM 0 HG SER A 32 1.185 -4.342 -9.809 1.00 1.00 H new ATOM 494 N VAL A 33 -0.329 -3.155 -6.251 1.00 1.00 N ATOM 495 CA VAL A 33 -1.655 -3.485 -5.709 1.00 1.00 C ATOM 496 C VAL A 33 -2.769 -2.920 -6.596 1.00 1.00 C ATOM 497 O VAL A 33 -2.588 -1.930 -7.306 1.00 1.00 O ATOM 498 CB VAL A 33 -1.796 -2.921 -4.280 1.00 1.00 C ATOM 499 CG1 VAL A 33 -1.600 -1.403 -4.286 1.00 1.00 C ATOM 500 CG2 VAL A 33 -3.191 -3.249 -3.716 1.00 1.00 C ATOM 0 H VAL A 33 -0.279 -2.243 -6.705 1.00 1.00 H new ATOM 0 HA VAL A 33 -1.750 -4.571 -5.685 1.00 1.00 H new ATOM 0 HB VAL A 33 -1.032 -3.381 -3.653 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -1.702 -1.019 -3.271 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.606 -1.166 -4.665 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -2.352 -0.942 -4.926 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -3.279 -2.846 -2.707 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -3.955 -2.803 -4.353 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -3.327 -4.330 -3.688 1.00 1.00 H new ATOM 510 N ARG A 34 -3.935 -3.556 -6.544 1.00 1.00 N ATOM 511 CA ARG A 34 -5.107 -3.120 -7.318 1.00 1.00 C ATOM 512 C ARG A 34 -6.101 -2.426 -6.392 1.00 1.00 C ATOM 513 O ARG A 34 -6.500 -2.973 -5.363 1.00 1.00 O ATOM 514 CB ARG A 34 -5.774 -4.338 -7.968 1.00 1.00 C ATOM 515 CG ARG A 34 -4.838 -4.933 -9.022 1.00 1.00 C ATOM 516 CD ARG A 34 -5.490 -6.161 -9.652 1.00 1.00 C ATOM 517 NE ARG A 34 -4.608 -6.720 -10.673 1.00 1.00 N ATOM 518 CZ ARG A 34 -4.934 -7.821 -11.342 1.00 1.00 C ATOM 519 NH1 ARG A 34 -6.065 -8.429 -11.097 1.00 1.00 N ATOM 520 NH2 ARG A 34 -4.119 -8.298 -12.244 1.00 1.00 N ATOM 0 H ARG A 34 -4.100 -4.383 -5.970 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.790 -2.424 -8.095 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -6.007 -5.086 -7.210 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -6.718 -4.046 -8.428 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -4.620 -4.191 -9.790 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -3.887 -5.208 -8.565 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -5.695 -6.909 -8.886 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -6.448 -5.889 -10.095 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.723 -6.256 -10.877 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -6.701 -8.059 -10.390 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -6.312 -9.274 -11.612 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.235 -7.826 -12.433 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -4.366 -9.143 -12.759 1.00 1.00 H new ATOM 534 N VAL A 35 -6.505 -1.213 -6.756 1.00 1.00 N ATOM 535 CA VAL A 35 -7.450 -0.434 -5.940 1.00 1.00 C ATOM 536 C VAL A 35 -8.581 0.132 -6.792 1.00 1.00 C ATOM 537 O VAL A 35 -8.497 0.222 -8.016 1.00 1.00 O ATOM 538 CB VAL A 35 -6.711 0.713 -5.235 1.00 1.00 C ATOM 539 CG1 VAL A 35 -5.745 0.144 -4.185 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.910 1.519 -6.255 1.00 1.00 C ATOM 0 H VAL A 35 -6.198 -0.743 -7.607 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.884 -1.103 -5.197 1.00 1.00 H new ATOM 0 HB VAL A 35 -7.445 1.357 -4.751 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -5.224 0.963 -3.689 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -6.306 -0.429 -3.447 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -5.018 -0.506 -4.673 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -5.388 2.331 -5.748 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.183 0.869 -6.743 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -6.586 1.933 -7.003 1.00 1.00 H new ATOM 550 N LYS A 36 -9.663 0.516 -6.122 1.00 1.00 N ATOM 551 CA LYS A 36 -10.844 1.084 -6.789 1.00 1.00 C ATOM 552 C LYS A 36 -11.206 2.442 -6.194 1.00 1.00 C ATOM 553 O LYS A 36 -11.247 2.622 -4.976 1.00 1.00 O ATOM 554 CB LYS A 36 -12.020 0.108 -6.629 1.00 1.00 C ATOM 555 CG LYS A 36 -11.811 -1.162 -7.489 1.00 1.00 C ATOM 556 CD LYS A 36 -12.203 -0.894 -8.954 1.00 1.00 C ATOM 557 CE LYS A 36 -12.143 -2.191 -9.744 1.00 1.00 C ATOM 558 NZ LYS A 36 -12.410 -1.886 -11.177 1.00 1.00 N ATOM 0 H LYS A 36 -9.752 0.446 -5.108 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.622 1.231 -7.846 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -12.124 -0.172 -5.581 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.948 0.600 -6.921 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -10.768 -1.475 -7.437 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -12.410 -1.981 -7.090 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -13.208 -0.474 -9.001 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -11.529 -0.158 -9.392 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -11.164 -2.657 -9.632 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -12.879 -2.900 -9.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -12.755 -2.742 -11.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -13.129 -1.138 -11.245 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -11.532 -1.565 -11.633 1.00 1.00 H new ATOM 572 N THR A 37 -11.473 3.407 -7.067 1.00 1.00 N ATOM 573 CA THR A 37 -11.836 4.761 -6.648 1.00 1.00 C ATOM 574 C THR A 37 -12.927 5.344 -7.546 1.00 1.00 C ATOM 575 O THR A 37 -13.459 4.676 -8.433 1.00 1.00 O ATOM 576 CB THR A 37 -10.608 5.669 -6.699 1.00 1.00 C ATOM 577 OG1 THR A 37 -10.244 5.902 -8.052 1.00 1.00 O ATOM 578 CG2 THR A 37 -9.440 5.019 -5.959 1.00 1.00 C ATOM 0 H THR A 37 -11.445 3.277 -8.078 1.00 1.00 H new ATOM 0 HA THR A 37 -12.216 4.705 -5.628 1.00 1.00 H new ATOM 0 HB THR A 37 -10.849 6.617 -6.217 1.00 1.00 H new ATOM 0 HG1 THR A 37 -9.457 6.486 -8.083 1.00 1.00 H new ATOM 0 HG21 THR A 37 -8.571 5.676 -6.002 1.00 1.00 H new ATOM 0 HG22 THR A 37 -9.717 4.852 -4.918 1.00 1.00 H new ATOM 0 HG23 THR A 37 -9.198 4.065 -6.428 1.00 1.00 H new ATOM 586 N GLU A 38 -13.257 6.610 -7.306 1.00 1.00 N ATOM 587 CA GLU A 38 -14.286 7.310 -8.097 1.00 1.00 C ATOM 588 C GLU A 38 -13.704 8.593 -8.700 1.00 1.00 C ATOM 589 O GLU A 38 -12.576 8.608 -9.195 1.00 1.00 O ATOM 590 CB GLU A 38 -15.491 7.663 -7.205 1.00 1.00 C ATOM 591 CG GLU A 38 -16.048 6.399 -6.539 1.00 1.00 C ATOM 592 CD GLU A 38 -16.635 5.461 -7.590 1.00 1.00 C ATOM 593 OE1 GLU A 38 -16.922 5.923 -8.682 1.00 1.00 O ATOM 594 OE2 GLU A 38 -16.796 4.289 -7.282 1.00 1.00 O ATOM 0 H GLU A 38 -12.832 7.178 -6.573 1.00 1.00 H new ATOM 0 HA GLU A 38 -14.615 6.651 -8.901 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -15.190 8.381 -6.443 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -16.268 8.140 -7.803 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -15.256 5.890 -5.989 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -16.816 6.670 -5.814 1.00 1.00 H new ATOM 601 N GLY A 39 -14.479 9.672 -8.668 1.00 1.00 N ATOM 602 CA GLY A 39 -14.043 10.953 -9.212 1.00 1.00 C ATOM 603 C GLY A 39 -14.122 10.953 -10.726 1.00 1.00 C ATOM 604 O GLY A 39 -14.958 10.267 -11.315 1.00 1.00 O ATOM 0 H GLY A 39 -15.417 9.684 -8.269 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -14.665 11.753 -8.811 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -13.020 11.157 -8.897 1.00 1.00 H new ATOM 608 N TYR A 40 -13.251 11.730 -11.363 1.00 1.00 N ATOM 609 CA TYR A 40 -13.221 11.823 -12.826 1.00 1.00 C ATOM 610 C TYR A 40 -11.799 11.978 -13.341 1.00 1.00 C ATOM 611 O TYR A 40 -11.487 11.613 -14.474 1.00 1.00 O ATOM 612 CB TYR A 40 -14.074 13.005 -13.299 1.00 1.00 C ATOM 613 CG TYR A 40 -15.520 12.771 -12.894 1.00 1.00 C ATOM 614 CD1 TYR A 40 -16.255 11.748 -13.514 1.00 1.00 C ATOM 615 CD2 TYR A 40 -16.130 13.572 -11.911 1.00 1.00 C ATOM 616 CE1 TYR A 40 -17.594 11.530 -13.149 1.00 1.00 C ATOM 617 CE2 TYR A 40 -17.465 13.348 -11.552 1.00 1.00 C ATOM 618 CZ TYR A 40 -18.196 12.330 -12.172 1.00 1.00 C ATOM 619 OH TYR A 40 -19.511 12.115 -11.817 1.00 1.00 O ATOM 0 H TYR A 40 -12.554 12.307 -10.892 1.00 1.00 H new ATOM 0 HA TYR A 40 -13.631 10.896 -13.227 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -13.706 13.933 -12.860 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -14.000 13.113 -14.381 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -15.792 11.130 -14.269 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -15.568 14.361 -11.433 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -18.160 10.743 -13.624 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -17.930 13.962 -10.795 1.00 1.00 H new ATOM 0 HH TYR A 40 -19.772 12.757 -11.124 1.00 1.00 H new ATOM 629 N ASN A 41 -10.923 12.526 -12.505 1.00 1.00 N ATOM 630 CA ASN A 41 -9.523 12.730 -12.863 1.00 1.00 C ATOM 631 C ASN A 41 -9.391 13.683 -14.058 1.00 1.00 C ATOM 632 O ASN A 41 -8.976 13.259 -15.136 1.00 1.00 O ATOM 633 CB ASN A 41 -8.854 11.387 -13.189 1.00 1.00 C ATOM 634 CG ASN A 41 -7.341 11.570 -13.300 1.00 1.00 C ATOM 635 OD1 ASN A 41 -6.869 12.669 -13.599 1.00 1.00 O ATOM 636 ND2 ASN A 41 -6.557 10.558 -13.070 1.00 1.00 N ATOM 0 H ASN A 41 -11.162 12.840 -11.564 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.021 13.181 -12.007 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -9.084 10.658 -12.412 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -9.250 10.991 -14.124 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -5.545 10.671 -13.137 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -6.954 9.651 -12.823 1.00 1.00 H new ATOM 643 N PRO A 42 -9.724 14.934 -13.904 1.00 1.00 N ATOM 644 CA PRO A 42 -9.627 15.930 -15.022 1.00 1.00 C ATOM 645 C PRO A 42 -8.199 16.042 -15.566 1.00 1.00 C ATOM 646 O PRO A 42 -7.987 16.134 -16.776 1.00 1.00 O ATOM 647 CB PRO A 42 -10.112 17.263 -14.382 1.00 1.00 C ATOM 648 CG PRO A 42 -9.967 17.053 -12.899 1.00 1.00 C ATOM 649 CD PRO A 42 -10.234 15.566 -12.665 1.00 1.00 C ATOM 0 HA PRO A 42 -10.226 15.643 -15.886 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -9.512 18.107 -14.723 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -11.146 17.478 -14.652 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -8.969 17.330 -12.560 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -10.674 17.670 -12.345 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -9.714 15.197 -11.781 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -11.295 15.365 -12.517 1.00 1.00 H new ATOM 657 N SER A 43 -7.219 16.037 -14.670 1.00 1.00 N ATOM 658 CA SER A 43 -5.819 16.150 -15.073 1.00 1.00 C ATOM 659 C SER A 43 -4.898 15.922 -13.878 1.00 1.00 C ATOM 660 O SER A 43 -4.052 16.762 -13.569 1.00 1.00 O ATOM 661 CB SER A 43 -5.557 17.535 -15.669 1.00 1.00 C ATOM 662 OG SER A 43 -5.951 18.535 -14.735 1.00 1.00 O ATOM 0 H SER A 43 -7.365 15.956 -13.664 1.00 1.00 H new ATOM 0 HA SER A 43 -5.613 15.388 -15.825 1.00 1.00 H new ATOM 0 HB2 SER A 43 -4.500 17.645 -15.911 1.00 1.00 H new ATOM 0 HB3 SER A 43 -6.111 17.653 -16.600 1.00 1.00 H new ATOM 0 HG SER A 43 -5.782 19.422 -15.115 1.00 1.00 H new ATOM 668 N ILE A 44 -5.060 14.782 -13.213 1.00 1.00 N ATOM 669 CA ILE A 44 -4.233 14.442 -12.048 1.00 1.00 C ATOM 670 C ILE A 44 -2.988 13.682 -12.494 1.00 1.00 C ATOM 671 O ILE A 44 -3.070 12.665 -13.182 1.00 1.00 O ATOM 672 CB ILE A 44 -5.047 13.592 -11.059 1.00 1.00 C ATOM 673 CG1 ILE A 44 -6.383 14.296 -10.759 1.00 1.00 C ATOM 674 CG2 ILE A 44 -4.265 13.398 -9.753 1.00 1.00 C ATOM 675 CD1 ILE A 44 -6.172 15.731 -10.231 1.00 1.00 C ATOM 0 H ILE A 44 -5.754 14.075 -13.457 1.00 1.00 H new ATOM 0 HA ILE A 44 -3.923 15.362 -11.552 1.00 1.00 H new ATOM 0 HB ILE A 44 -5.236 12.615 -11.504 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -6.988 14.328 -11.665 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -6.941 13.717 -10.023 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -4.854 12.794 -9.063 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -3.323 12.892 -9.965 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.062 14.370 -9.303 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -7.140 16.191 -10.032 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -5.590 15.698 -9.310 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -5.637 16.318 -10.977 1.00 1.00 H new ATOM 687 N ASN A 45 -1.825 14.189 -12.098 1.00 1.00 N ATOM 688 CA ASN A 45 -0.559 13.576 -12.466 1.00 1.00 C ATOM 689 C ASN A 45 -0.317 12.319 -11.642 1.00 1.00 C ATOM 690 O ASN A 45 0.100 12.389 -10.487 1.00 1.00 O ATOM 691 CB ASN A 45 0.577 14.578 -12.229 1.00 1.00 C ATOM 692 CG ASN A 45 0.384 15.806 -13.117 1.00 1.00 C ATOM 693 OD1 ASN A 45 0.848 16.899 -12.779 1.00 1.00 O ATOM 694 ND2 ASN A 45 -0.275 15.698 -14.237 1.00 1.00 N ATOM 0 H ASN A 45 -1.736 15.025 -11.521 1.00 1.00 H new ATOM 0 HA ASN A 45 -0.591 13.299 -13.520 1.00 1.00 H new ATOM 0 HB2 ASN A 45 0.597 14.876 -11.181 1.00 1.00 H new ATOM 0 HB3 ASN A 45 1.537 14.110 -12.445 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -0.406 16.516 -14.832 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -0.659 14.796 -14.518 1.00 1.00 H new ATOM 701 N VAL A 46 -0.571 11.157 -12.236 1.00 1.00 N ATOM 702 CA VAL A 46 -0.359 9.874 -11.550 1.00 1.00 C ATOM 703 C VAL A 46 1.010 9.822 -10.842 1.00 1.00 C ATOM 704 O VAL A 46 1.293 8.909 -10.065 1.00 1.00 O ATOM 705 CB VAL A 46 -0.466 8.726 -12.558 1.00 1.00 C ATOM 706 CG1 VAL A 46 -1.856 8.731 -13.200 1.00 1.00 C ATOM 707 CG2 VAL A 46 0.600 8.900 -13.648 1.00 1.00 C ATOM 0 H VAL A 46 -0.924 11.071 -13.189 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.131 9.772 -10.787 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.309 7.779 -12.042 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -1.929 7.913 -13.917 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -2.614 8.605 -12.427 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -2.016 9.679 -13.714 1.00 1.00 H new ATOM 0 HG21 VAL A 46 0.524 8.083 -14.365 1.00 1.00 H new ATOM 0 HG22 VAL A 46 0.444 9.849 -14.161 1.00 1.00 H new ATOM 0 HG23 VAL A 46 1.590 8.892 -13.193 1.00 1.00 H new ATOM 717 N ASN A 47 1.848 10.817 -11.111 1.00 1.00 N ATOM 718 CA ASN A 47 3.168 10.900 -10.502 1.00 1.00 C ATOM 719 C ASN A 47 3.042 11.053 -8.985 1.00 1.00 C ATOM 720 O ASN A 47 3.848 10.518 -8.225 1.00 1.00 O ATOM 721 CB ASN A 47 3.920 12.103 -11.074 1.00 1.00 C ATOM 722 CG ASN A 47 4.202 11.891 -12.556 1.00 1.00 C ATOM 723 OD1 ASN A 47 3.578 12.527 -13.406 1.00 1.00 O ATOM 724 ND2 ASN A 47 5.111 11.030 -12.918 1.00 1.00 N ATOM 0 H ASN A 47 1.633 11.581 -11.751 1.00 1.00 H new ATOM 0 HA ASN A 47 3.717 9.984 -10.722 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.331 13.009 -10.934 1.00 1.00 H new ATOM 0 HB3 ASN A 47 4.857 12.246 -10.535 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.307 10.881 -13.908 1.00 1.00 H new ATOM 0 HD22 ASN A 47 5.626 10.505 -12.211 1.00 1.00 H new ATOM 731 N GLU A 48 2.020 11.790 -8.559 1.00 1.00 N ATOM 732 CA GLU A 48 1.779 12.037 -7.133 1.00 1.00 C ATOM 733 C GLU A 48 0.638 11.159 -6.638 1.00 1.00 C ATOM 734 O GLU A 48 -0.347 11.661 -6.095 1.00 1.00 O ATOM 735 CB GLU A 48 1.438 13.527 -6.930 1.00 1.00 C ATOM 736 CG GLU A 48 0.416 13.976 -7.991 1.00 1.00 C ATOM 737 CD GLU A 48 -0.121 15.365 -7.663 1.00 1.00 C ATOM 738 OE1 GLU A 48 -0.221 15.680 -6.490 1.00 1.00 O ATOM 739 OE2 GLU A 48 -0.424 16.094 -8.592 1.00 1.00 O ATOM 0 H GLU A 48 1.341 12.230 -9.180 1.00 1.00 H new ATOM 0 HA GLU A 48 2.674 11.791 -6.561 1.00 1.00 H new ATOM 0 HB2 GLU A 48 1.032 13.684 -5.931 1.00 1.00 H new ATOM 0 HB3 GLU A 48 2.343 14.130 -7.005 1.00 1.00 H new ATOM 0 HG2 GLU A 48 0.885 13.984 -8.975 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -0.407 13.263 -8.036 1.00 1.00 H new ATOM 746 N LEU A 49 0.767 9.849 -6.824 1.00 1.00 N ATOM 747 CA LEU A 49 -0.257 8.890 -6.399 1.00 1.00 C ATOM 748 C LEU A 49 0.383 7.541 -6.098 1.00 1.00 C ATOM 749 O LEU A 49 0.993 6.916 -6.966 1.00 1.00 O ATOM 750 CB LEU A 49 -1.344 8.734 -7.493 1.00 1.00 C ATOM 751 CG LEU A 49 -2.390 9.873 -7.419 1.00 1.00 C ATOM 752 CD1 LEU A 49 -3.423 9.697 -8.543 1.00 1.00 C ATOM 753 CD2 LEU A 49 -3.109 9.875 -6.038 1.00 1.00 C ATOM 0 H LEU A 49 1.578 9.420 -7.270 1.00 1.00 H new ATOM 0 HA LEU A 49 -0.731 9.267 -5.493 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -0.874 8.733 -8.477 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -1.843 7.772 -7.377 1.00 1.00 H new ATOM 0 HG LEU A 49 -1.875 10.826 -7.540 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -4.159 10.499 -8.490 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -2.919 9.730 -9.509 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -3.925 8.736 -8.429 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -3.839 10.684 -6.009 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -3.617 8.922 -5.891 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.375 10.021 -5.246 1.00 1.00 H new ATOM 765 N PHE A 50 0.254 7.093 -4.854 1.00 1.00 N ATOM 766 CA PHE A 50 0.837 5.827 -4.427 1.00 1.00 C ATOM 767 C PHE A 50 0.196 5.317 -3.135 1.00 1.00 C ATOM 768 O PHE A 50 -0.610 5.985 -2.488 1.00 1.00 O ATOM 769 CB PHE A 50 2.342 6.006 -4.202 1.00 1.00 C ATOM 770 CG PHE A 50 3.048 6.166 -5.535 1.00 1.00 C ATOM 771 CD1 PHE A 50 3.107 5.079 -6.414 1.00 1.00 C ATOM 772 CD2 PHE A 50 3.632 7.390 -5.901 1.00 1.00 C ATOM 773 CE1 PHE A 50 3.750 5.209 -7.651 1.00 1.00 C ATOM 774 CE2 PHE A 50 4.275 7.515 -7.136 1.00 1.00 C ATOM 775 CZ PHE A 50 4.335 6.427 -8.011 1.00 1.00 C ATOM 0 H PHE A 50 -0.252 7.591 -4.121 1.00 1.00 H new ATOM 0 HA PHE A 50 0.653 5.094 -5.212 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.524 6.880 -3.577 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.744 5.144 -3.669 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.656 4.138 -6.138 1.00 1.00 H new ATOM 0 HD2 PHE A 50 3.584 8.234 -5.229 1.00 1.00 H new ATOM 0 HE1 PHE A 50 3.794 4.368 -8.327 1.00 1.00 H new ATOM 0 HE2 PHE A 50 4.727 8.455 -7.415 1.00 1.00 H new ATOM 0 HZ PHE A 50 4.833 6.527 -8.964 1.00 1.00 H new ATOM 785 N ALA A 51 0.599 4.105 -2.768 1.00 1.00 N ATOM 786 CA ALA A 51 0.117 3.465 -1.540 1.00 1.00 C ATOM 787 C ALA A 51 1.174 3.617 -0.465 1.00 1.00 C ATOM 788 O ALA A 51 2.290 4.055 -0.744 1.00 1.00 O ATOM 789 CB ALA A 51 -0.161 1.980 -1.790 1.00 1.00 C ATOM 0 H ALA A 51 1.260 3.541 -3.302 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.810 3.940 -1.220 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.518 1.517 -0.870 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -0.919 1.877 -2.566 1.00 1.00 H new ATOM 0 HB3 ALA A 51 0.756 1.487 -2.112 1.00 1.00 H new ATOM 795 N TYR A 52 0.840 3.278 0.775 1.00 1.00 N ATOM 796 CA TYR A 52 1.809 3.433 1.871 1.00 1.00 C ATOM 797 C TYR A 52 1.570 2.425 2.988 1.00 1.00 C ATOM 798 O TYR A 52 0.512 1.806 3.098 1.00 1.00 O ATOM 799 CB TYR A 52 1.721 4.855 2.435 1.00 1.00 C ATOM 800 CG TYR A 52 1.705 5.847 1.292 1.00 1.00 C ATOM 801 CD1 TYR A 52 2.904 6.258 0.701 1.00 1.00 C ATOM 802 CD2 TYR A 52 0.486 6.336 0.802 1.00 1.00 C ATOM 803 CE1 TYR A 52 2.890 7.160 -0.366 1.00 1.00 C ATOM 804 CE2 TYR A 52 0.472 7.237 -0.267 1.00 1.00 C ATOM 805 CZ TYR A 52 1.673 7.650 -0.850 1.00 1.00 C ATOM 806 OH TYR A 52 1.657 8.542 -1.900 1.00 1.00 O ATOM 0 H TYR A 52 -0.068 2.903 1.050 1.00 1.00 H new ATOM 0 HA TYR A 52 2.804 3.250 1.465 1.00 1.00 H new ATOM 0 HB2 TYR A 52 0.820 4.964 3.039 1.00 1.00 H new ATOM 0 HB3 TYR A 52 2.569 5.052 3.090 1.00 1.00 H new ATOM 0 HD1 TYR A 52 3.844 5.877 1.071 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -0.443 6.017 1.251 1.00 1.00 H new ATOM 0 HE1 TYR A 52 3.818 7.479 -0.817 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -0.468 7.614 -0.643 1.00 1.00 H new ATOM 0 HH TYR A 52 0.731 8.781 -2.112 1.00 1.00 H new ATOM 816 N VAL A 53 2.586 2.279 3.832 1.00 1.00 N ATOM 817 CA VAL A 53 2.520 1.369 4.978 1.00 1.00 C ATOM 818 C VAL A 53 3.120 2.047 6.197 1.00 1.00 C ATOM 819 O VAL A 53 4.070 2.824 6.100 1.00 1.00 O ATOM 820 CB VAL A 53 3.287 0.068 4.664 1.00 1.00 C ATOM 821 CG1 VAL A 53 2.466 -0.801 3.709 1.00 1.00 C ATOM 822 CG2 VAL A 53 4.632 0.412 4.012 1.00 1.00 C ATOM 0 H VAL A 53 3.470 2.780 3.746 1.00 1.00 H new ATOM 0 HA VAL A 53 1.479 1.120 5.181 1.00 1.00 H new ATOM 0 HB VAL A 53 3.459 -0.480 5.591 1.00 1.00 H new ATOM 0 HG11 VAL A 53 3.013 -1.718 3.491 1.00 1.00 H new ATOM 0 HG12 VAL A 53 1.511 -1.049 4.173 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.288 -0.255 2.782 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.174 -0.507 3.790 1.00 1.00 H new ATOM 0 HG22 VAL A 53 4.458 0.963 3.088 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.221 1.025 4.694 1.00 1.00 H new ATOM 832 N ASP A 54 2.558 1.745 7.363 1.00 1.00 N ATOM 833 CA ASP A 54 3.050 2.340 8.615 1.00 1.00 C ATOM 834 C ASP A 54 3.980 1.374 9.340 1.00 1.00 C ATOM 835 O ASP A 54 3.581 0.672 10.268 1.00 1.00 O ATOM 836 CB ASP A 54 1.864 2.689 9.519 1.00 1.00 C ATOM 837 CG ASP A 54 2.357 3.401 10.777 1.00 1.00 C ATOM 838 OD1 ASP A 54 3.564 3.509 10.944 1.00 1.00 O ATOM 839 OD2 ASP A 54 1.522 3.836 11.552 1.00 1.00 O ATOM 0 H ASP A 54 1.773 1.103 7.474 1.00 1.00 H new ATOM 0 HA ASP A 54 3.607 3.245 8.375 1.00 1.00 H new ATOM 0 HB2 ASP A 54 1.162 3.327 8.982 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.325 1.782 9.792 1.00 1.00 H new ATOM 844 N LEU A 55 5.236 1.354 8.908 1.00 1.00 N ATOM 845 CA LEU A 55 6.236 0.468 9.509 1.00 1.00 C ATOM 846 C LEU A 55 6.660 1.000 10.863 1.00 1.00 C ATOM 847 O LEU A 55 7.552 0.455 11.513 1.00 1.00 O ATOM 848 CB LEU A 55 7.448 0.379 8.585 1.00 1.00 C ATOM 849 CG LEU A 55 7.000 -0.054 7.179 1.00 1.00 C ATOM 850 CD1 LEU A 55 8.213 -0.077 6.248 1.00 1.00 C ATOM 851 CD2 LEU A 55 6.347 -1.452 7.219 1.00 1.00 C ATOM 0 H LEU A 55 5.588 1.936 8.148 1.00 1.00 H new ATOM 0 HA LEU A 55 5.804 -0.524 9.644 1.00 1.00 H new ATOM 0 HB2 LEU A 55 7.951 1.345 8.535 1.00 1.00 H new ATOM 0 HB3 LEU A 55 8.169 -0.335 8.983 1.00 1.00 H new ATOM 0 HG LEU A 55 6.263 0.659 6.810 1.00 1.00 H new ATOM 0 HD11 LEU A 55 7.900 -0.384 5.250 1.00 1.00 H new ATOM 0 HD12 LEU A 55 8.654 0.919 6.200 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.951 -0.783 6.629 1.00 1.00 H new ATOM 0 HD21 LEU A 55 6.038 -1.738 6.214 1.00 1.00 H new ATOM 0 HD22 LEU A 55 7.066 -2.179 7.598 1.00 1.00 H new ATOM 0 HD23 LEU A 55 5.476 -1.428 7.874 1.00 1.00 H new ATOM 863 N SER A 56 6.002 2.074 11.290 1.00 1.00 N ATOM 864 CA SER A 56 6.284 2.732 12.593 1.00 1.00 C ATOM 865 C SER A 56 7.618 2.290 13.208 1.00 1.00 C ATOM 866 O SER A 56 8.683 2.563 12.655 1.00 1.00 O ATOM 867 CB SER A 56 5.142 2.438 13.575 1.00 1.00 C ATOM 868 OG SER A 56 5.057 1.033 13.778 1.00 1.00 O ATOM 0 H SER A 56 5.258 2.523 10.756 1.00 1.00 H new ATOM 0 HA SER A 56 6.359 3.803 12.402 1.00 1.00 H new ATOM 0 HB2 SER A 56 5.321 2.945 14.523 1.00 1.00 H new ATOM 0 HB3 SER A 56 4.200 2.819 13.182 1.00 1.00 H new ATOM 0 HG SER A 56 4.331 0.837 14.406 1.00 1.00 H new ATOM 874 N GLY A 57 7.563 1.596 14.340 1.00 1.00 N ATOM 875 CA GLY A 57 8.765 1.103 14.995 1.00 1.00 C ATOM 876 C GLY A 57 9.531 0.148 14.077 1.00 1.00 C ATOM 877 O GLY A 57 9.598 0.361 12.866 1.00 1.00 O ATOM 0 H GLY A 57 6.695 1.363 14.823 1.00 1.00 H new ATOM 0 HA2 GLY A 57 9.405 1.942 15.270 1.00 1.00 H new ATOM 0 HA3 GLY A 57 8.497 0.590 15.919 1.00 1.00 H new ATOM 881 N SER A 58 10.119 -0.890 14.662 1.00 1.00 N ATOM 882 CA SER A 58 10.896 -1.864 13.886 1.00 1.00 C ATOM 883 C SER A 58 10.862 -3.232 14.539 1.00 1.00 C ATOM 884 O SER A 58 11.832 -3.984 14.441 1.00 1.00 O ATOM 885 CB SER A 58 12.355 -1.383 13.764 1.00 1.00 C ATOM 886 OG SER A 58 12.356 0.025 13.611 1.00 1.00 O ATOM 0 H SER A 58 10.076 -1.082 15.663 1.00 1.00 H new ATOM 0 HA SER A 58 10.451 -1.947 12.894 1.00 1.00 H new ATOM 0 HB2 SER A 58 12.922 -1.667 14.650 1.00 1.00 H new ATOM 0 HB3 SER A 58 12.839 -1.857 12.910 1.00 1.00 H new ATOM 0 HG SER A 58 13.090 0.410 14.133 1.00 1.00 H new ATOM 892 N GLU A 59 9.759 -3.567 15.201 1.00 1.00 N ATOM 893 CA GLU A 59 9.622 -4.858 15.881 1.00 1.00 C ATOM 894 C GLU A 59 10.188 -6.009 15.023 1.00 1.00 C ATOM 895 O GLU A 59 9.521 -6.458 14.091 1.00 1.00 O ATOM 896 CB GLU A 59 8.142 -5.117 16.190 1.00 1.00 C ATOM 897 CG GLU A 59 7.615 -4.013 17.132 1.00 1.00 C ATOM 898 CD GLU A 59 8.254 -4.137 18.517 1.00 1.00 C ATOM 899 OE1 GLU A 59 8.242 -5.229 19.060 1.00 1.00 O ATOM 900 OE2 GLU A 59 8.752 -3.137 19.011 1.00 1.00 O ATOM 0 H GLU A 59 8.942 -2.962 15.283 1.00 1.00 H new ATOM 0 HA GLU A 59 10.194 -4.820 16.808 1.00 1.00 H new ATOM 0 HB2 GLU A 59 7.563 -5.130 15.267 1.00 1.00 H new ATOM 0 HB3 GLU A 59 8.022 -6.095 16.655 1.00 1.00 H new ATOM 0 HG2 GLU A 59 7.835 -3.032 16.711 1.00 1.00 H new ATOM 0 HG3 GLU A 59 6.531 -4.087 17.218 1.00 1.00 H new ATOM 907 N PRO A 60 11.366 -6.494 15.304 1.00 1.00 N ATOM 908 CA PRO A 60 11.989 -7.613 14.519 1.00 1.00 C ATOM 909 C PRO A 60 11.108 -8.857 14.465 1.00 1.00 C ATOM 910 O PRO A 60 10.811 -9.463 15.494 1.00 1.00 O ATOM 911 CB PRO A 60 13.320 -7.899 15.267 1.00 1.00 C ATOM 912 CG PRO A 60 13.623 -6.637 16.017 1.00 1.00 C ATOM 913 CD PRO A 60 12.266 -6.053 16.402 1.00 1.00 C ATOM 0 HA PRO A 60 12.135 -7.338 13.474 1.00 1.00 H new ATOM 0 HB2 PRO A 60 13.217 -8.746 15.945 1.00 1.00 H new ATOM 0 HB3 PRO A 60 14.120 -8.145 14.569 1.00 1.00 H new ATOM 0 HG2 PRO A 60 14.227 -6.842 16.901 1.00 1.00 H new ATOM 0 HG3 PRO A 60 14.189 -5.940 15.399 1.00 1.00 H new ATOM 0 HD2 PRO A 60 11.930 -6.426 17.369 1.00 1.00 H new ATOM 0 HD3 PRO A 60 12.305 -4.966 16.476 1.00 1.00 H new ATOM 921 N GLY A 61 10.704 -9.252 13.263 1.00 1.00 N ATOM 922 CA GLY A 61 9.874 -10.444 13.075 1.00 1.00 C ATOM 923 C GLY A 61 8.978 -10.274 11.858 1.00 1.00 C ATOM 924 O GLY A 61 9.155 -9.350 11.065 1.00 1.00 O ATOM 0 H GLY A 61 10.937 -8.764 12.398 1.00 1.00 H new ATOM 0 HA2 GLY A 61 10.508 -11.321 12.949 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.265 -10.616 13.963 1.00 1.00 H new ATOM 928 N GLU A 62 8.002 -11.162 11.703 1.00 1.00 N ATOM 929 CA GLU A 62 7.064 -11.103 10.572 1.00 1.00 C ATOM 930 C GLU A 62 5.728 -10.525 11.039 1.00 1.00 C ATOM 931 O GLU A 62 4.770 -11.252 11.293 1.00 1.00 O ATOM 932 CB GLU A 62 6.849 -12.514 9.988 1.00 1.00 C ATOM 933 CG GLU A 62 6.730 -13.549 11.132 1.00 1.00 C ATOM 934 CD GLU A 62 8.107 -13.890 11.703 1.00 1.00 C ATOM 935 OE1 GLU A 62 9.027 -14.053 10.919 1.00 1.00 O ATOM 936 OE2 GLU A 62 8.219 -13.983 12.914 1.00 1.00 O ATOM 0 H GLU A 62 7.834 -11.936 12.345 1.00 1.00 H new ATOM 0 HA GLU A 62 7.482 -10.460 9.797 1.00 1.00 H new ATOM 0 HB2 GLU A 62 5.946 -12.530 9.377 1.00 1.00 H new ATOM 0 HB3 GLU A 62 7.681 -12.776 9.334 1.00 1.00 H new ATOM 0 HG2 GLU A 62 6.092 -13.153 11.922 1.00 1.00 H new ATOM 0 HG3 GLU A 62 6.251 -14.455 10.760 1.00 1.00 H new ATOM 943 N HIS A 63 5.674 -9.201 11.147 1.00 1.00 N ATOM 944 CA HIS A 63 4.463 -8.509 11.620 1.00 1.00 C ATOM 945 C HIS A 63 3.531 -8.136 10.465 1.00 1.00 C ATOM 946 O HIS A 63 3.930 -8.070 9.302 1.00 1.00 O ATOM 947 CB HIS A 63 4.873 -7.232 12.360 1.00 1.00 C ATOM 948 CG HIS A 63 3.668 -6.564 12.966 1.00 1.00 C ATOM 949 ND1 HIS A 63 2.980 -7.123 14.024 1.00 1.00 N ATOM 950 CD2 HIS A 63 3.028 -5.386 12.679 1.00 1.00 C ATOM 951 CE1 HIS A 63 1.977 -6.284 14.350 1.00 1.00 C ATOM 952 NE2 HIS A 63 1.964 -5.205 13.555 1.00 1.00 N ATOM 0 H HIS A 63 6.449 -8.580 10.916 1.00 1.00 H new ATOM 0 HA HIS A 63 3.926 -9.188 12.282 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.594 -7.473 13.141 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.367 -6.548 11.670 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.308 -4.702 11.891 1.00 1.00 H new ATOM 0 HE1 HIS A 63 1.273 -6.459 15.150 1.00 1.00 H new ATOM 0 HE2 HIS A 63 1.313 -4.420 13.586 1.00 1.00 H new ATOM 961 N ASP A 64 2.277 -7.871 10.815 1.00 1.00 N ATOM 962 CA ASP A 64 1.272 -7.471 9.835 1.00 1.00 C ATOM 963 C ASP A 64 1.300 -5.952 9.669 1.00 1.00 C ATOM 964 O ASP A 64 1.249 -5.202 10.644 1.00 1.00 O ATOM 965 CB ASP A 64 -0.112 -7.927 10.297 1.00 1.00 C ATOM 966 CG ASP A 64 -0.137 -9.444 10.442 1.00 1.00 C ATOM 967 OD1 ASP A 64 0.352 -10.114 9.547 1.00 1.00 O ATOM 968 OD2 ASP A 64 -0.648 -9.919 11.446 1.00 1.00 O ATOM 0 H ASP A 64 1.931 -7.926 11.773 1.00 1.00 H new ATOM 0 HA ASP A 64 1.492 -7.939 8.875 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.360 -7.458 11.249 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.868 -7.609 9.579 1.00 1.00 H new ATOM 973 N TYR A 65 1.403 -5.487 8.428 1.00 1.00 N ATOM 974 CA TYR A 65 1.468 -4.035 8.145 1.00 1.00 C ATOM 975 C TYR A 65 0.344 -3.595 7.207 1.00 1.00 C ATOM 976 O TYR A 65 0.434 -3.716 5.985 1.00 1.00 O ATOM 977 CB TYR A 65 2.831 -3.689 7.537 1.00 1.00 C ATOM 978 CG TYR A 65 3.914 -3.865 8.594 1.00 1.00 C ATOM 979 CD1 TYR A 65 4.026 -2.923 9.628 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.796 -4.955 8.546 1.00 1.00 C ATOM 981 CE1 TYR A 65 5.015 -3.067 10.608 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.786 -5.095 9.527 1.00 1.00 C ATOM 983 CZ TYR A 65 5.895 -4.154 10.557 1.00 1.00 C ATOM 984 OH TYR A 65 6.871 -4.300 11.523 1.00 1.00 O ATOM 0 H TYR A 65 1.444 -6.080 7.599 1.00 1.00 H new ATOM 0 HA TYR A 65 1.341 -3.499 9.086 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.034 -4.333 6.681 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.828 -2.663 7.170 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.347 -2.084 9.668 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.712 -5.685 7.754 1.00 1.00 H new ATOM 0 HE1 TYR A 65 5.099 -2.340 11.402 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.467 -5.932 9.488 1.00 1.00 H new ATOM 0 HH TYR A 65 7.395 -5.108 11.339 1.00 1.00 H new ATOM 994 N GLU A 66 -0.715 -3.067 7.810 1.00 1.00 N ATOM 995 CA GLU A 66 -1.881 -2.596 7.078 1.00 1.00 C ATOM 996 C GLU A 66 -1.511 -1.500 6.085 1.00 1.00 C ATOM 997 O GLU A 66 -0.819 -0.542 6.428 1.00 1.00 O ATOM 998 CB GLU A 66 -2.919 -2.047 8.075 1.00 1.00 C ATOM 999 CG GLU A 66 -3.227 -3.115 9.165 1.00 1.00 C ATOM 1000 CD GLU A 66 -2.199 -3.064 10.301 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -1.242 -2.317 10.183 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -2.378 -3.794 11.265 1.00 1.00 O ATOM 0 H GLU A 66 -0.788 -2.954 8.821 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.295 -3.436 6.520 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -2.541 -1.137 8.542 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -3.835 -1.778 7.548 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -4.226 -2.949 9.568 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -3.226 -4.108 8.715 1.00 1.00 H new ATOM 1009 N VAL A 67 -1.984 -1.644 4.852 1.00 1.00 N ATOM 1010 CA VAL A 67 -1.712 -0.662 3.806 1.00 1.00 C ATOM 1011 C VAL A 67 -2.607 0.562 3.984 1.00 1.00 C ATOM 1012 O VAL A 67 -3.827 0.459 4.102 1.00 1.00 O ATOM 1013 CB VAL A 67 -1.971 -1.285 2.433 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -1.619 -0.287 1.320 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -1.117 -2.545 2.281 1.00 1.00 C ATOM 0 H VAL A 67 -2.558 -2.432 4.551 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.669 -0.354 3.878 1.00 1.00 H new ATOM 0 HB VAL A 67 -3.027 -1.543 2.352 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -1.808 -0.744 0.349 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -2.233 0.608 1.426 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -0.566 -0.016 1.394 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -1.299 -2.992 1.304 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -0.063 -2.283 2.370 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.380 -3.259 3.061 1.00 1.00 H new ATOM 1025 N LYS A 68 -1.993 1.741 4.001 1.00 1.00 N ATOM 1026 CA LYS A 68 -2.734 3.005 4.161 1.00 1.00 C ATOM 1027 C LYS A 68 -2.556 3.887 2.922 1.00 1.00 C ATOM 1028 O LYS A 68 -1.468 4.010 2.360 1.00 1.00 O ATOM 1029 CB LYS A 68 -2.232 3.734 5.414 1.00 1.00 C ATOM 1030 CG LYS A 68 -2.576 2.893 6.653 1.00 1.00 C ATOM 1031 CD LYS A 68 -2.074 3.601 7.913 1.00 1.00 C ATOM 1032 CE LYS A 68 -2.502 2.807 9.154 1.00 1.00 C ATOM 1033 NZ LYS A 68 -1.862 1.462 9.139 1.00 1.00 N ATOM 0 H LYS A 68 -0.984 1.856 3.906 1.00 1.00 H new ATOM 0 HA LYS A 68 -3.796 2.788 4.274 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -1.155 3.891 5.352 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -2.694 4.719 5.487 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -3.654 2.742 6.714 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -2.120 1.906 6.573 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -0.988 3.692 7.883 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -2.477 4.613 7.959 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -2.216 3.345 10.058 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -3.587 2.703 9.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -2.030 0.987 10.049 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -2.270 0.892 8.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -0.838 1.566 8.987 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.650 4.507 2.488 1.00 1.00 N ATOM 1048 CA VAL A 69 -3.623 5.366 1.287 1.00 1.00 C ATOM 1049 C VAL A 69 -3.808 6.829 1.658 1.00 1.00 C ATOM 1050 O VAL A 69 -4.740 7.181 2.383 1.00 1.00 O ATOM 1051 CB VAL A 69 -4.734 4.933 0.323 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -4.662 5.761 -0.969 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -4.549 3.450 -0.017 1.00 1.00 C ATOM 0 H VAL A 69 -4.563 4.438 2.938 1.00 1.00 H new ATOM 0 HA VAL A 69 -2.651 5.256 0.805 1.00 1.00 H new ATOM 0 HB VAL A 69 -5.704 5.092 0.795 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -5.455 5.446 -1.647 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -4.786 6.818 -0.731 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -3.694 5.607 -1.446 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -5.335 3.133 -0.702 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -3.577 3.303 -0.487 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -4.604 2.858 0.896 1.00 1.00 H new ATOM 1063 N GLU A 70 -2.925 7.682 1.151 1.00 1.00 N ATOM 1064 CA GLU A 70 -2.993 9.109 1.430 1.00 1.00 C ATOM 1065 C GLU A 70 -4.419 9.650 1.144 1.00 1.00 C ATOM 1066 O GLU A 70 -4.909 9.504 0.025 1.00 1.00 O ATOM 1067 CB GLU A 70 -1.961 9.850 0.559 1.00 1.00 C ATOM 1068 CG GLU A 70 -1.987 11.360 0.857 1.00 1.00 C ATOM 1069 CD GLU A 70 -0.841 12.052 0.124 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -0.816 11.983 -1.093 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -0.006 12.639 0.790 1.00 1.00 O ATOM 0 H GLU A 70 -2.153 7.408 0.544 1.00 1.00 H new ATOM 0 HA GLU A 70 -2.767 9.277 2.483 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -0.964 9.453 0.750 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.176 9.678 -0.496 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -2.940 11.785 0.544 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -1.899 11.530 1.930 1.00 1.00 H new ATOM 1078 N PRO A 71 -5.073 10.257 2.096 1.00 1.00 N ATOM 1079 CA PRO A 71 -6.457 10.805 1.890 1.00 1.00 C ATOM 1080 C PRO A 71 -6.465 12.085 1.056 1.00 1.00 C ATOM 1081 O PRO A 71 -6.408 13.186 1.601 1.00 1.00 O ATOM 1082 CB PRO A 71 -6.959 11.065 3.337 1.00 1.00 C ATOM 1083 CG PRO A 71 -5.708 11.355 4.123 1.00 1.00 C ATOM 1084 CD PRO A 71 -4.598 10.514 3.480 1.00 1.00 C ATOM 0 HA PRO A 71 -7.092 10.119 1.330 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -7.653 11.905 3.372 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -7.487 10.199 3.736 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -5.463 12.416 4.088 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -5.838 11.092 5.173 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -3.647 11.047 3.480 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -4.441 9.583 4.024 1.00 1.00 H new ATOM 1092 N ILE A 72 -6.549 11.949 -0.265 1.00 1.00 N ATOM 1093 CA ILE A 72 -6.556 13.124 -1.146 1.00 1.00 C ATOM 1094 C ILE A 72 -7.963 13.773 -1.184 1.00 1.00 C ATOM 1095 O ILE A 72 -8.949 13.084 -1.440 1.00 1.00 O ATOM 1096 CB ILE A 72 -6.131 12.731 -2.580 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -4.821 11.873 -2.523 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -5.882 14.009 -3.409 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -5.146 10.384 -2.677 1.00 1.00 C ATOM 0 H ILE A 72 -6.612 11.053 -0.748 1.00 1.00 H new ATOM 0 HA ILE A 72 -5.843 13.845 -0.747 1.00 1.00 H new ATOM 0 HB ILE A 72 -6.923 12.145 -3.047 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -4.140 12.186 -3.314 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -4.309 12.043 -1.576 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.582 13.734 -4.420 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.797 14.600 -3.450 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -5.091 14.596 -2.943 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -4.224 9.804 -2.635 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -5.809 10.071 -1.870 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.637 10.216 -3.636 1.00 1.00 H new ATOM 1111 N PRO A 73 -8.076 15.053 -0.951 1.00 1.00 N ATOM 1112 CA PRO A 73 -9.400 15.755 -0.979 1.00 1.00 C ATOM 1113 C PRO A 73 -9.967 15.894 -2.393 1.00 1.00 C ATOM 1114 O PRO A 73 -9.851 16.952 -3.011 1.00 1.00 O ATOM 1115 CB PRO A 73 -9.094 17.141 -0.350 1.00 1.00 C ATOM 1116 CG PRO A 73 -7.629 17.375 -0.614 1.00 1.00 C ATOM 1117 CD PRO A 73 -6.973 15.996 -0.642 1.00 1.00 C ATOM 0 HA PRO A 73 -10.166 15.199 -0.439 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -9.706 17.922 -0.801 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -9.308 17.145 0.719 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -7.483 17.894 -1.561 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -7.189 17.999 0.163 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -6.189 15.947 -1.397 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -6.509 15.760 0.316 1.00 1.00 H new ATOM 1125 N ASN A 74 -10.590 14.839 -2.907 1.00 1.00 N ATOM 1126 CA ASN A 74 -11.192 14.860 -4.248 1.00 1.00 C ATOM 1127 C ASN A 74 -11.563 13.448 -4.689 1.00 1.00 C ATOM 1128 O ASN A 74 -12.694 13.193 -5.105 1.00 1.00 O ATOM 1129 CB ASN A 74 -10.230 15.512 -5.289 1.00 1.00 C ATOM 1130 CG ASN A 74 -10.617 16.972 -5.532 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -11.762 17.259 -5.874 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -9.728 17.908 -5.362 1.00 1.00 N ATOM 0 H ASN A 74 -10.695 13.951 -2.417 1.00 1.00 H new ATOM 0 HA ASN A 74 -12.098 15.464 -4.197 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -9.203 15.457 -4.929 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -10.269 14.958 -6.227 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -9.981 18.885 -5.513 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -8.779 17.665 -5.078 1.00 1.00 H new ATOM 1139 N ILE A 75 -10.615 12.521 -4.619 1.00 1.00 N ATOM 1140 CA ILE A 75 -10.850 11.138 -5.026 1.00 1.00 C ATOM 1141 C ILE A 75 -11.315 10.317 -3.843 1.00 1.00 C ATOM 1142 O ILE A 75 -10.797 10.426 -2.733 1.00 1.00 O ATOM 1143 CB ILE A 75 -9.566 10.528 -5.630 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -9.147 11.327 -6.903 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -9.808 9.044 -5.989 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -9.969 10.887 -8.140 1.00 1.00 C ATOM 0 H ILE A 75 -9.670 12.703 -4.282 1.00 1.00 H new ATOM 0 HA ILE A 75 -11.630 11.127 -5.788 1.00 1.00 H new ATOM 0 HB ILE A 75 -8.762 10.587 -4.896 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -9.290 12.393 -6.729 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -8.085 11.176 -7.097 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -8.899 8.620 -6.415 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -10.080 8.492 -5.089 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -10.617 8.973 -6.717 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -9.653 11.462 -9.010 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -9.805 9.826 -8.327 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -11.029 11.063 -7.954 1.00 1.00 H new ATOM 1158 N LYS A 76 -12.321 9.482 -4.083 1.00 1.00 N ATOM 1159 CA LYS A 76 -12.899 8.631 -3.045 1.00 1.00 C ATOM 1160 C LYS A 76 -12.299 7.231 -3.078 1.00 1.00 C ATOM 1161 O LYS A 76 -12.061 6.642 -4.133 1.00 1.00 O ATOM 1162 CB LYS A 76 -14.419 8.543 -3.232 1.00 1.00 C ATOM 1163 CG LYS A 76 -15.074 7.711 -2.104 1.00 1.00 C ATOM 1164 CD LYS A 76 -14.918 8.426 -0.742 1.00 1.00 C ATOM 1165 CE LYS A 76 -15.894 7.836 0.266 1.00 1.00 C ATOM 1166 NZ LYS A 76 -17.280 8.120 -0.190 1.00 1.00 N ATOM 0 H LYS A 76 -12.758 9.375 -4.998 1.00 1.00 H new ATOM 0 HA LYS A 76 -12.671 9.078 -2.077 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -14.845 9.546 -3.242 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -14.644 8.091 -4.198 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -16.131 7.560 -2.323 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -14.614 6.724 -2.058 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -13.896 8.317 -0.379 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -15.103 9.494 -0.858 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -15.739 6.761 0.357 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -15.725 8.267 1.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -17.816 8.564 0.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -17.252 8.764 -1.006 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -17.744 7.231 -0.466 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.061 6.680 -1.894 1.00 1.00 N ATOM 1181 CA ILE A 77 -11.506 5.331 -1.758 1.00 1.00 C ATOM 1182 C ILE A 77 -12.628 4.312 -1.573 1.00 1.00 C ATOM 1183 O ILE A 77 -13.567 4.525 -0.806 1.00 1.00 O ATOM 1184 CB ILE A 77 -10.557 5.284 -0.549 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -9.907 3.891 -0.450 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -11.330 5.591 0.748 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -8.783 3.926 0.589 1.00 1.00 C ATOM 0 H ILE A 77 -12.244 7.147 -1.006 1.00 1.00 H new ATOM 0 HA ILE A 77 -10.954 5.083 -2.664 1.00 1.00 H new ATOM 0 HB ILE A 77 -9.780 6.036 -0.683 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -10.654 3.148 -0.169 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -9.511 3.593 -1.421 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.646 5.554 1.596 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -11.773 6.585 0.681 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -12.119 4.851 0.885 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -8.322 2.941 0.660 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -8.032 4.657 0.288 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -9.193 4.205 1.559 1.00 1.00 H new ATOM 1199 N VAL A 78 -12.531 3.187 -2.275 1.00 1.00 N ATOM 1200 CA VAL A 78 -13.547 2.126 -2.179 1.00 1.00 C ATOM 1201 C VAL A 78 -13.014 0.955 -1.368 1.00 1.00 C ATOM 1202 O VAL A 78 -13.661 0.509 -0.421 1.00 1.00 O ATOM 1203 CB VAL A 78 -13.955 1.664 -3.586 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -14.951 0.492 -3.506 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -14.612 2.836 -4.319 1.00 1.00 C ATOM 0 H VAL A 78 -11.765 2.980 -2.916 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.426 2.523 -1.671 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.067 1.329 -4.122 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -15.227 0.180 -4.513 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -14.488 -0.344 -2.981 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -15.844 0.809 -2.967 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -14.906 2.520 -5.320 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.494 3.162 -3.767 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -13.904 3.662 -4.392 1.00 1.00 H new ATOM 1215 N GLU A 79 -11.843 0.433 -1.721 1.00 1.00 N ATOM 1216 CA GLU A 79 -11.261 -0.699 -0.994 1.00 1.00 C ATOM 1217 C GLU A 79 -9.736 -0.620 -1.007 1.00 1.00 C ATOM 1218 O GLU A 79 -9.139 0.454 -1.084 1.00 1.00 O ATOM 1219 CB GLU A 79 -11.741 -2.039 -1.624 1.00 1.00 C ATOM 1220 CG GLU A 79 -11.902 -3.123 -0.529 1.00 1.00 C ATOM 1221 CD GLU A 79 -13.141 -2.836 0.322 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -13.887 -1.934 -0.031 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -13.324 -3.521 1.313 1.00 1.00 O ATOM 0 H GLU A 79 -11.279 0.771 -2.501 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.595 -0.657 0.043 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -12.691 -1.887 -2.137 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.024 -2.374 -2.373 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -11.989 -4.106 -0.991 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -11.015 -3.146 0.104 1.00 1.00 H new ATOM 1230 N ILE A 80 -9.100 -1.784 -0.915 1.00 1.00 N ATOM 1231 CA ILE A 80 -7.646 -1.868 -0.899 1.00 1.00 C ATOM 1232 C ILE A 80 -7.198 -3.117 -1.645 1.00 1.00 C ATOM 1233 O ILE A 80 -6.300 -3.069 -2.485 1.00 1.00 O ATOM 1234 CB ILE A 80 -7.128 -1.917 0.556 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -7.735 -0.750 1.354 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -5.588 -1.800 0.566 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -7.214 -0.761 2.798 1.00 1.00 C ATOM 0 H ILE A 80 -9.573 -2.685 -0.850 1.00 1.00 H new ATOM 0 HA ILE A 80 -7.236 -0.985 -1.389 1.00 1.00 H new ATOM 0 HB ILE A 80 -7.420 -2.863 1.011 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -7.481 0.196 0.876 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -8.822 -0.827 1.352 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -5.227 -1.835 1.594 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -5.157 -2.627 0.002 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -5.292 -0.856 0.109 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -7.653 0.071 3.349 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -7.490 -1.700 3.277 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -6.129 -0.661 2.794 1.00 1.00 H new ATOM 1249 N SER A 81 -7.809 -4.256 -1.335 1.00 1.00 N ATOM 1250 CA SER A 81 -7.470 -5.554 -1.960 1.00 1.00 C ATOM 1251 C SER A 81 -5.969 -5.643 -2.363 1.00 1.00 C ATOM 1252 O SER A 81 -5.617 -5.132 -3.427 1.00 1.00 O ATOM 1253 CB SER A 81 -8.326 -5.790 -3.202 1.00 1.00 C ATOM 1254 OG SER A 81 -8.100 -4.748 -4.138 1.00 1.00 O ATOM 0 H SER A 81 -8.556 -4.318 -0.643 1.00 1.00 H new ATOM 0 HA SER A 81 -7.671 -6.320 -1.211 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.080 -6.754 -3.648 1.00 1.00 H new ATOM 0 HB3 SER A 81 -9.381 -5.825 -2.929 1.00 1.00 H new ATOM 0 HG SER A 81 -7.145 -4.529 -4.159 1.00 1.00 H new ATOM 1260 N PRO A 82 -5.109 -6.218 -1.568 1.00 1.00 N ATOM 1261 CA PRO A 82 -5.445 -6.861 -0.254 1.00 1.00 C ATOM 1262 C PRO A 82 -5.878 -5.825 0.792 1.00 1.00 C ATOM 1263 O PRO A 82 -6.065 -4.641 0.512 1.00 1.00 O ATOM 1264 CB PRO A 82 -4.136 -7.581 0.173 1.00 1.00 C ATOM 1265 CG PRO A 82 -3.244 -7.548 -1.043 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.660 -6.306 -1.833 1.00 1.00 C ATOM 0 HA PRO A 82 -6.287 -7.548 -0.341 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -3.667 -7.076 1.017 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -4.336 -8.606 0.486 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -2.194 -7.495 -0.756 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -3.366 -8.451 -1.642 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -3.132 -5.415 -1.493 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.450 -6.414 -2.897 1.00 1.00 H new ATOM 1274 N ARG A 83 -6.037 -6.289 2.029 1.00 1.00 N ATOM 1275 CA ARG A 83 -6.435 -5.407 3.144 1.00 1.00 C ATOM 1276 C ARG A 83 -5.284 -5.269 4.127 1.00 1.00 C ATOM 1277 O ARG A 83 -5.116 -4.239 4.779 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.654 -5.990 3.876 1.00 1.00 C ATOM 1279 CG ARG A 83 -8.863 -6.129 2.902 1.00 1.00 C ATOM 1280 CD ARG A 83 -8.900 -7.522 2.262 1.00 1.00 C ATOM 1281 NE ARG A 83 -10.014 -7.585 1.326 1.00 1.00 N ATOM 1282 CZ ARG A 83 -10.148 -8.591 0.464 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -9.269 -9.557 0.432 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -11.164 -8.603 -0.349 1.00 1.00 N ATOM 0 H ARG A 83 -5.899 -7.265 2.293 1.00 1.00 H new ATOM 0 HA ARG A 83 -6.693 -4.429 2.738 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.402 -6.965 4.294 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -7.926 -5.346 4.712 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -9.792 -5.949 3.443 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -8.796 -5.369 2.123 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -7.962 -7.724 1.745 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.011 -8.287 3.031 1.00 1.00 H new ATOM 0 HE ARG A 83 -10.710 -6.839 1.331 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -8.473 -9.544 1.070 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -9.378 -10.324 -0.231 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -11.848 -7.847 -0.322 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -11.276 -9.369 -1.013 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.475 -6.316 4.235 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.319 -6.335 5.130 1.00 1.00 C ATOM 1300 C VAL A 84 -2.235 -7.216 4.527 1.00 1.00 C ATOM 1301 O VAL A 84 -2.525 -8.137 3.764 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.729 -6.878 6.510 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.528 -6.821 7.464 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -4.886 -6.037 7.086 1.00 1.00 C ATOM 0 H VAL A 84 -4.600 -7.178 3.705 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.939 -5.321 5.253 1.00 1.00 H new ATOM 0 HB VAL A 84 -4.059 -7.911 6.402 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -2.821 -7.206 8.441 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -1.716 -7.428 7.063 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.193 -5.789 7.566 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.169 -6.429 8.063 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.566 -5.000 7.190 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.742 -6.087 6.413 1.00 1.00 H new ATOM 1314 N VAL A 85 -0.978 -6.934 4.856 1.00 1.00 N ATOM 1315 CA VAL A 85 0.146 -7.717 4.318 1.00 1.00 C ATOM 1316 C VAL A 85 1.256 -7.895 5.353 1.00 1.00 C ATOM 1317 O VAL A 85 1.590 -6.979 6.105 1.00 1.00 O ATOM 1318 CB VAL A 85 0.712 -7.036 3.060 1.00 1.00 C ATOM 1319 CG1 VAL A 85 1.203 -5.624 3.394 1.00 1.00 C ATOM 1320 CG2 VAL A 85 1.882 -7.866 2.497 1.00 1.00 C ATOM 0 H VAL A 85 -0.706 -6.179 5.485 1.00 1.00 H new ATOM 0 HA VAL A 85 -0.235 -8.705 4.059 1.00 1.00 H new ATOM 0 HB VAL A 85 -0.080 -6.970 2.314 1.00 1.00 H new ATOM 0 HG11 VAL A 85 1.601 -5.155 2.494 1.00 1.00 H new ATOM 0 HG12 VAL A 85 0.372 -5.031 3.776 1.00 1.00 H new ATOM 0 HG13 VAL A 85 1.986 -5.680 4.150 1.00 1.00 H new ATOM 0 HG21 VAL A 85 2.278 -7.379 1.606 1.00 1.00 H new ATOM 0 HG22 VAL A 85 2.668 -7.944 3.248 1.00 1.00 H new ATOM 0 HG23 VAL A 85 1.528 -8.864 2.238 1.00 1.00 H new ATOM 1330 N THR A 86 1.832 -9.092 5.367 1.00 1.00 N ATOM 1331 CA THR A 86 2.920 -9.434 6.288 1.00 1.00 C ATOM 1332 C THR A 86 4.280 -9.246 5.615 1.00 1.00 C ATOM 1333 O THR A 86 4.531 -9.746 4.519 1.00 1.00 O ATOM 1334 CB THR A 86 2.767 -10.894 6.728 1.00 1.00 C ATOM 1335 OG1 THR A 86 1.480 -11.079 7.300 1.00 1.00 O ATOM 1336 CG2 THR A 86 3.838 -11.247 7.767 1.00 1.00 C ATOM 0 H THR A 86 1.562 -9.853 4.744 1.00 1.00 H new ATOM 0 HA THR A 86 2.867 -8.773 7.153 1.00 1.00 H new ATOM 0 HB THR A 86 2.885 -11.542 5.860 1.00 1.00 H new ATOM 0 HG1 THR A 86 1.411 -10.556 8.126 1.00 1.00 H new ATOM 0 HG21 THR A 86 3.720 -12.287 8.073 1.00 1.00 H new ATOM 0 HG22 THR A 86 4.827 -11.107 7.332 1.00 1.00 H new ATOM 0 HG23 THR A 86 3.729 -10.599 8.636 1.00 1.00 H new ATOM 1344 N LEU A 87 5.160 -8.516 6.292 1.00 1.00 N ATOM 1345 CA LEU A 87 6.512 -8.248 5.774 1.00 1.00 C ATOM 1346 C LEU A 87 7.557 -8.857 6.693 1.00 1.00 C ATOM 1347 O LEU A 87 7.266 -9.266 7.818 1.00 1.00 O ATOM 1348 CB LEU A 87 6.746 -6.735 5.671 1.00 1.00 C ATOM 1349 CG LEU A 87 5.626 -6.078 4.843 1.00 1.00 C ATOM 1350 CD1 LEU A 87 5.843 -4.559 4.822 1.00 1.00 C ATOM 1351 CD2 LEU A 87 5.620 -6.621 3.395 1.00 1.00 C ATOM 0 H LEU A 87 4.969 -8.096 7.202 1.00 1.00 H new ATOM 0 HA LEU A 87 6.599 -8.696 4.784 1.00 1.00 H new ATOM 0 HB2 LEU A 87 6.776 -6.296 6.668 1.00 1.00 H new ATOM 0 HB3 LEU A 87 7.713 -6.540 5.207 1.00 1.00 H new ATOM 0 HG LEU A 87 4.665 -6.314 5.301 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.054 -4.087 4.237 1.00 1.00 H new ATOM 0 HD12 LEU A 87 5.819 -4.174 5.841 1.00 1.00 H new ATOM 0 HD13 LEU A 87 6.810 -4.336 4.372 1.00 1.00 H new ATOM 0 HD21 LEU A 87 4.820 -6.142 2.830 1.00 1.00 H new ATOM 0 HD22 LEU A 87 6.578 -6.406 2.922 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.457 -7.699 3.411 1.00 1.00 H new ATOM 1363 N GLN A 88 8.793 -8.915 6.203 1.00 1.00 N ATOM 1364 CA GLN A 88 9.901 -9.495 6.988 1.00 1.00 C ATOM 1365 C GLN A 88 10.978 -8.451 7.260 1.00 1.00 C ATOM 1366 O GLN A 88 11.605 -7.929 6.338 1.00 1.00 O ATOM 1367 CB GLN A 88 10.501 -10.671 6.224 1.00 1.00 C ATOM 1368 CG GLN A 88 9.470 -11.797 6.130 1.00 1.00 C ATOM 1369 CD GLN A 88 10.030 -12.953 5.313 1.00 1.00 C ATOM 1370 OE1 GLN A 88 11.184 -12.912 4.883 1.00 1.00 O ATOM 1371 NE2 GLN A 88 9.277 -13.992 5.075 1.00 1.00 N ATOM 0 H GLN A 88 9.060 -8.575 5.279 1.00 1.00 H new ATOM 0 HA GLN A 88 9.509 -9.839 7.945 1.00 1.00 H new ATOM 0 HB2 GLN A 88 10.802 -10.354 5.225 1.00 1.00 H new ATOM 0 HB3 GLN A 88 11.399 -11.027 6.729 1.00 1.00 H new ATOM 0 HG2 GLN A 88 9.205 -12.143 7.129 1.00 1.00 H new ATOM 0 HG3 GLN A 88 8.555 -11.425 5.669 1.00 1.00 H new ATOM 0 HE21 GLN A 88 8.322 -14.023 5.433 1.00 1.00 H new ATOM 0 HE22 GLN A 88 9.643 -14.774 4.531 1.00 1.00 H new ATOM 1380 N LEU A 89 11.181 -8.141 8.536 1.00 1.00 N ATOM 1381 CA LEU A 89 12.184 -7.150 8.950 1.00 1.00 C ATOM 1382 C LEU A 89 13.392 -7.844 9.547 1.00 1.00 C ATOM 1383 O LEU A 89 13.282 -8.704 10.421 1.00 1.00 O ATOM 1384 CB LEU A 89 11.562 -6.171 9.973 1.00 1.00 C ATOM 1385 CG LEU A 89 10.890 -4.974 9.260 1.00 1.00 C ATOM 1386 CD1 LEU A 89 11.957 -4.023 8.659 1.00 1.00 C ATOM 1387 CD2 LEU A 89 9.927 -5.476 8.157 1.00 1.00 C ATOM 0 H LEU A 89 10.665 -8.561 9.309 1.00 1.00 H new ATOM 0 HA LEU A 89 12.509 -6.586 8.076 1.00 1.00 H new ATOM 0 HB2 LEU A 89 10.826 -6.696 10.582 1.00 1.00 H new ATOM 0 HB3 LEU A 89 12.335 -5.808 10.650 1.00 1.00 H new ATOM 0 HG LEU A 89 10.313 -4.415 9.997 1.00 1.00 H new ATOM 0 HD11 LEU A 89 11.462 -3.188 8.162 1.00 1.00 H new ATOM 0 HD12 LEU A 89 12.596 -3.644 9.456 1.00 1.00 H new ATOM 0 HD13 LEU A 89 12.564 -4.568 7.935 1.00 1.00 H new ATOM 0 HD21 LEU A 89 9.462 -4.622 7.664 1.00 1.00 H new ATOM 0 HD22 LEU A 89 10.485 -6.058 7.424 1.00 1.00 H new ATOM 0 HD23 LEU A 89 9.155 -6.101 8.605 1.00 1.00 H new ATOM 1399 N GLU A 90 14.569 -7.462 9.064 1.00 1.00 N ATOM 1400 CA GLU A 90 15.818 -8.037 9.546 1.00 1.00 C ATOM 1401 C GLU A 90 16.859 -6.948 9.817 1.00 1.00 C ATOM 1402 O GLU A 90 17.051 -6.012 9.040 1.00 1.00 O ATOM 1403 CB GLU A 90 16.354 -9.032 8.513 1.00 1.00 C ATOM 1404 CG GLU A 90 17.558 -9.776 9.102 1.00 1.00 C ATOM 1405 CD GLU A 90 18.074 -10.810 8.114 1.00 1.00 C ATOM 1406 OE1 GLU A 90 18.312 -10.447 6.975 1.00 1.00 O ATOM 1407 OE2 GLU A 90 18.224 -11.951 8.515 1.00 1.00 O ATOM 0 H GLU A 90 14.684 -6.755 8.338 1.00 1.00 H new ATOM 0 HA GLU A 90 15.622 -8.554 10.485 1.00 1.00 H new ATOM 0 HB2 GLU A 90 15.574 -9.741 8.236 1.00 1.00 H new ATOM 0 HB3 GLU A 90 16.646 -8.507 7.603 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.350 -9.067 9.343 1.00 1.00 H new ATOM 0 HG3 GLU A 90 17.272 -10.264 10.034 1.00 1.00 H new ATOM 1414 N HIS A 91 17.541 -7.100 10.946 1.00 1.00 N ATOM 1415 CA HIS A 91 18.572 -6.147 11.347 1.00 1.00 C ATOM 1416 C HIS A 91 19.781 -6.236 10.416 1.00 1.00 C ATOM 1417 O HIS A 91 20.449 -7.267 10.338 1.00 1.00 O ATOM 1418 CB HIS A 91 19.001 -6.445 12.787 1.00 1.00 C ATOM 1419 CG HIS A 91 19.500 -7.862 12.882 1.00 1.00 C ATOM 1420 ND1 HIS A 91 18.670 -8.955 12.680 1.00 1.00 N ATOM 1421 CD2 HIS A 91 20.739 -8.382 13.165 1.00 1.00 C ATOM 1422 CE1 HIS A 91 19.414 -10.066 12.843 1.00 1.00 C ATOM 1423 NE2 HIS A 91 20.682 -9.771 13.141 1.00 1.00 N ATOM 0 H HIS A 91 17.400 -7.871 11.599 1.00 1.00 H new ATOM 0 HA HIS A 91 18.165 -5.138 11.284 1.00 1.00 H new ATOM 0 HB2 HIS A 91 19.784 -5.752 13.095 1.00 1.00 H new ATOM 0 HB3 HIS A 91 18.160 -6.298 13.465 1.00 1.00 H new ATOM 0 HD2 HIS A 91 21.624 -7.800 13.375 1.00 1.00 H new ATOM 0 HE1 HIS A 91 19.032 -11.071 12.745 1.00 1.00 H new ATOM 0 HE2 HIS A 91 21.445 -10.425 13.314 1.00 1.00 H new ATOM 1432 N HIS A 92 20.059 -5.146 9.708 1.00 1.00 N ATOM 1433 CA HIS A 92 21.186 -5.091 8.767 1.00 1.00 C ATOM 1434 C HIS A 92 22.446 -4.569 9.458 1.00 1.00 C ATOM 1435 O HIS A 92 22.924 -3.473 9.163 1.00 1.00 O ATOM 1436 CB HIS A 92 20.822 -4.181 7.590 1.00 1.00 C ATOM 1437 CG HIS A 92 21.935 -4.183 6.575 1.00 1.00 C ATOM 1438 ND1 HIS A 92 22.218 -5.290 5.794 1.00 1.00 N ATOM 1439 CD2 HIS A 92 22.840 -3.220 6.206 1.00 1.00 C ATOM 1440 CE1 HIS A 92 23.255 -4.971 4.996 1.00 1.00 C ATOM 1441 NE2 HIS A 92 23.672 -3.719 5.209 1.00 1.00 N ATOM 0 H HIS A 92 19.520 -4.282 9.765 1.00 1.00 H new ATOM 0 HA HIS A 92 21.389 -6.098 8.404 1.00 1.00 H new ATOM 0 HB2 HIS A 92 19.896 -4.523 7.128 1.00 1.00 H new ATOM 0 HB3 HIS A 92 20.644 -3.166 7.945 1.00 1.00 H new ATOM 0 HD2 HIS A 92 22.898 -2.226 6.625 1.00 1.00 H new ATOM 0 HE1 HIS A 92 23.695 -5.643 4.274 1.00 1.00 H new ATOM 0 HE2 HIS A 92 24.437 -3.233 4.741 1.00 1.00 H new ATOM 1450 N HIS A 93 22.995 -5.359 10.375 1.00 1.00 N ATOM 1451 CA HIS A 93 24.203 -4.968 11.093 1.00 1.00 C ATOM 1452 C HIS A 93 25.365 -4.794 10.123 1.00 1.00 C ATOM 1453 O HIS A 93 26.000 -5.761 9.702 1.00 1.00 O ATOM 1454 CB HIS A 93 24.550 -6.026 12.142 1.00 1.00 C ATOM 1455 CG HIS A 93 24.686 -7.369 11.474 1.00 1.00 C ATOM 1456 ND1 HIS A 93 25.919 -7.901 11.134 1.00 1.00 N ATOM 1457 CD2 HIS A 93 23.754 -8.298 11.081 1.00 1.00 C ATOM 1458 CE1 HIS A 93 25.700 -9.099 10.563 1.00 1.00 C ATOM 1459 NE2 HIS A 93 24.397 -9.389 10.507 1.00 1.00 N ATOM 0 H HIS A 93 22.624 -6.272 10.638 1.00 1.00 H new ATOM 0 HA HIS A 93 24.021 -4.016 11.592 1.00 1.00 H new ATOM 0 HB2 HIS A 93 25.480 -5.763 12.646 1.00 1.00 H new ATOM 0 HB3 HIS A 93 23.773 -6.065 12.906 1.00 1.00 H new ATOM 0 HD2 HIS A 93 22.685 -8.197 11.200 1.00 1.00 H new ATOM 0 HE1 HIS A 93 26.482 -9.747 10.195 1.00 1.00 H new ATOM 0 HE2 HIS A 93 23.966 -10.231 10.125 1.00 1.00 H new ATOM 1468 N HIS A 94 25.644 -3.546 9.762 1.00 1.00 N ATOM 1469 CA HIS A 94 26.735 -3.245 8.833 1.00 1.00 C ATOM 1470 C HIS A 94 27.091 -1.762 8.888 1.00 1.00 C ATOM 1471 O HIS A 94 26.369 -0.946 9.461 1.00 1.00 O ATOM 1472 CB HIS A 94 26.335 -3.629 7.403 1.00 1.00 C ATOM 1473 CG HIS A 94 27.491 -3.386 6.467 1.00 1.00 C ATOM 1474 ND1 HIS A 94 28.551 -4.272 6.356 1.00 1.00 N ATOM 1475 CD2 HIS A 94 27.764 -2.362 5.593 1.00 1.00 C ATOM 1476 CE1 HIS A 94 29.408 -3.769 5.444 1.00 1.00 C ATOM 1477 NE2 HIS A 94 28.974 -2.607 4.951 1.00 1.00 N ATOM 0 H HIS A 94 25.134 -2.728 10.095 1.00 1.00 H new ATOM 0 HA HIS A 94 27.608 -3.828 9.129 1.00 1.00 H new ATOM 0 HB2 HIS A 94 26.040 -4.678 7.367 1.00 1.00 H new ATOM 0 HB3 HIS A 94 25.471 -3.044 7.088 1.00 1.00 H new ATOM 0 HD2 HIS A 94 27.136 -1.499 5.429 1.00 1.00 H new ATOM 0 HE1 HIS A 94 30.331 -4.247 5.149 1.00 1.00 H new ATOM 0 HE2 HIS A 94 29.432 -2.023 4.252 1.00 1.00 H new ATOM 1486 N HIS A 95 28.221 -1.414 8.278 1.00 1.00 N ATOM 1487 CA HIS A 95 28.685 -0.022 8.246 1.00 1.00 C ATOM 1488 C HIS A 95 29.230 0.316 6.863 1.00 1.00 C ATOM 1489 O HIS A 95 30.381 0.022 6.543 1.00 1.00 O ATOM 1490 CB HIS A 95 29.778 0.181 9.299 1.00 1.00 C ATOM 1491 CG HIS A 95 30.170 1.631 9.353 1.00 1.00 C ATOM 1492 ND1 HIS A 95 31.213 2.144 8.600 1.00 1.00 N ATOM 1493 CD2 HIS A 95 29.664 2.690 10.064 1.00 1.00 C ATOM 1494 CE1 HIS A 95 31.301 3.459 8.873 1.00 1.00 C ATOM 1495 NE2 HIS A 95 30.379 3.842 9.760 1.00 1.00 N ATOM 0 H HIS A 95 28.835 -2.073 7.799 1.00 1.00 H new ATOM 0 HA HIS A 95 27.846 0.638 8.466 1.00 1.00 H new ATOM 0 HB2 HIS A 95 29.420 -0.145 10.276 1.00 1.00 H new ATOM 0 HB3 HIS A 95 30.647 -0.431 9.057 1.00 1.00 H new ATOM 0 HD2 HIS A 95 28.836 2.636 10.755 1.00 1.00 H new ATOM 0 HE1 HIS A 95 32.028 4.123 8.429 1.00 1.00 H new ATOM 0 HE2 HIS A 95 30.231 4.779 10.134 1.00 1.00 H new ATOM 1504 N HIS A 96 28.388 0.939 6.044 1.00 1.00 N ATOM 1505 CA HIS A 96 28.764 1.324 4.691 1.00 1.00 C ATOM 1506 C HIS A 96 29.867 2.378 4.726 1.00 1.00 C ATOM 1507 O HIS A 96 30.869 2.178 4.062 1.00 1.00 O ATOM 1508 CB HIS A 96 27.535 1.884 3.965 1.00 1.00 C ATOM 1509 CG HIS A 96 27.883 2.195 2.534 1.00 1.00 C ATOM 1510 ND1 HIS A 96 28.323 1.222 1.659 1.00 1.00 N ATOM 1511 CD2 HIS A 96 27.857 3.365 1.818 1.00 1.00 C ATOM 1512 CE1 HIS A 96 28.546 1.813 0.471 1.00 1.00 C ATOM 1513 NE2 HIS A 96 28.276 3.122 0.514 1.00 1.00 N ATOM 1514 OXT HIS A 96 29.690 3.368 5.415 1.00 1.00 O ATOM 0 H HIS A 96 27.432 1.189 6.299 1.00 1.00 H new ATOM 0 HA HIS A 96 29.137 0.448 4.161 1.00 1.00 H new ATOM 0 HB2 HIS A 96 26.720 1.161 4.001 1.00 1.00 H new ATOM 0 HB3 HIS A 96 27.184 2.786 4.467 1.00 1.00 H new ATOM 0 HD2 HIS A 96 27.557 4.327 2.207 1.00 1.00 H new ATOM 0 HE1 HIS A 96 28.899 1.295 -0.408 1.00 1.00 H new ATOM 0 HE2 HIS A 96 28.359 3.797 -0.246 1.00 1.00 H new TER 1523 HIS A 96