USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=26 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 25 MET CE :methyl -177:sc= 0 (180deg=-0.0159) USER MOD Set 1.2: A 92 HIS : no HE2:sc= -1.88! C(o=-1.9!,f=-3.2!) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.2 X(o=-1.3,f=-0.84) USER MOD Set 2.2: A 91 HIS : no HE2:sc= -0.097 K(o=-1.3,f=-3.5) USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.125 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.051 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 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= 0.89 K(o=0.89,f=-1.3) USER MOD Single : A 20 THR OG1 : rot 70:sc= -1.84! USER MOD Single : A 24 SER OG : rot 24:sc= -1.16 USER MOD Single : A 27 MET CE :methyl 160:sc= -0.185 (180deg=-0.807) USER MOD Single : A 28 THR OG1 : rot -150:sc= 0.639 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -43:sc= -0.949 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.0271 K(o=0.027,f=-0.51) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.24! K(o=-1.2!,f=-2.3) USER MOD Single : A 47 ASN : amide:sc=-0.00163 K(o=-0.0016,f=-0.59) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -123:sc= 1.29 USER MOD Single : A 58 SER OG : rot 50:sc= -0.657 USER MOD Single : A 63 HIS : no HD1:sc= 0.00777 X(o=0.0078,f=-0.061) USER MOD Single : A 65 TYR OH : rot -1:sc= 1.87 USER MOD Single : A 68 LYS NZ :NH3+ 140:sc= 0.894 (180deg=-0.754) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= 1.22 (180deg=1.03) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 94 HIS : no HD1:sc= -0.0367 X(o=-0.037,f=-0.045) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.103 -9.119 -24.038 1.00 0.00 N ATOM 2 CA SER A 1 -6.700 -8.018 -23.140 1.00 0.00 C ATOM 3 C SER A 1 -7.792 -7.751 -22.109 1.00 0.00 C ATOM 4 O SER A 1 -8.955 -8.097 -22.326 1.00 0.00 O ATOM 5 CB SER A 1 -6.438 -6.762 -23.970 1.00 0.00 C ATOM 6 OG SER A 1 -5.565 -7.045 -25.054 1.00 0.00 O ATOM 0 H1 SER A 1 -6.757 -8.927 -25.000 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.696 -10.013 -23.696 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.140 -9.194 -24.052 1.00 0.00 H new ATOM 0 HA SER A 1 -5.789 -8.298 -22.610 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.381 -6.369 -24.350 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.002 -5.988 -23.339 1.00 0.00 H new ATOM 0 HG SER A 1 -5.412 -6.228 -25.573 1.00 0.00 H new ATOM 14 N SER A 2 -7.421 -7.153 -20.986 1.00 0.00 N ATOM 15 CA SER A 2 -8.389 -6.823 -19.956 1.00 0.00 C ATOM 16 C SER A 2 -8.805 -5.365 -20.105 1.00 0.00 C ATOM 17 O SER A 2 -8.057 -4.455 -19.739 1.00 0.00 O ATOM 18 CB SER A 2 -7.800 -7.074 -18.564 1.00 0.00 C ATOM 19 OG SER A 2 -8.822 -7.155 -17.583 1.00 0.00 O ATOM 0 H SER A 2 -6.460 -6.888 -20.768 1.00 0.00 H new ATOM 0 HA SER A 2 -9.266 -7.460 -20.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.224 -8.000 -18.571 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.109 -6.271 -18.308 1.00 0.00 H new ATOM 0 HG SER A 2 -8.420 -7.317 -16.704 1.00 0.00 H new ATOM 25 N GLN A 3 -9.988 -5.147 -20.662 1.00 0.00 N ATOM 26 CA GLN A 3 -10.447 -3.800 -20.956 1.00 0.00 C ATOM 27 C GLN A 3 -10.941 -3.103 -19.695 1.00 0.00 C ATOM 28 O GLN A 3 -11.879 -3.561 -19.040 1.00 0.00 O ATOM 29 CB GLN A 3 -11.544 -3.823 -22.019 1.00 0.00 C ATOM 30 CG GLN A 3 -12.051 -2.440 -22.392 1.00 0.00 C ATOM 31 CD GLN A 3 -13.002 -2.459 -23.568 1.00 0.00 C ATOM 32 OE1 GLN A 3 -12.894 -3.300 -24.461 1.00 0.00 O ATOM 33 NE2 GLN A 3 -13.943 -1.531 -23.577 1.00 0.00 N ATOM 0 H GLN A 3 -10.645 -5.884 -20.918 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.600 -3.235 -21.346 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.163 -4.316 -22.913 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.379 -4.422 -21.656 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.554 -1.999 -21.532 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.202 -1.799 -22.628 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.998 -0.853 -22.817 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.615 -1.493 -24.344 1.00 0.00 H new ATOM 42 N THR A 4 -10.293 -2.000 -19.362 1.00 0.00 N ATOM 43 CA THR A 4 -10.646 -1.225 -18.187 1.00 0.00 C ATOM 44 C THR A 4 -11.878 -0.367 -18.460 1.00 0.00 C ATOM 45 O THR A 4 -11.991 0.253 -19.519 1.00 0.00 O ATOM 46 CB THR A 4 -9.482 -0.307 -17.773 1.00 0.00 C ATOM 47 OG1 THR A 4 -8.235 -1.004 -17.905 1.00 0.00 O ATOM 48 CG2 THR A 4 -9.648 0.171 -16.336 1.00 0.00 C ATOM 0 H THR A 4 -9.512 -1.619 -19.896 1.00 0.00 H new ATOM 0 HA THR A 4 -10.861 -1.925 -17.380 1.00 0.00 H new ATOM 0 HB THR A 4 -9.486 0.562 -18.431 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.500 -0.412 -17.641 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.812 0.818 -16.069 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.581 0.727 -16.243 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.670 -0.689 -15.667 1.00 0.00 H new ATOM 56 N LEU A 5 -12.802 -0.344 -17.512 1.00 0.00 N ATOM 57 CA LEU A 5 -13.971 0.511 -17.621 1.00 0.00 C ATOM 58 C LEU A 5 -13.643 1.898 -17.090 1.00 0.00 C ATOM 59 O LEU A 5 -13.131 2.043 -15.980 1.00 0.00 O ATOM 60 CB LEU A 5 -15.160 -0.087 -16.862 1.00 0.00 C ATOM 61 CG LEU A 5 -15.679 -1.418 -17.414 1.00 0.00 C ATOM 62 CD1 LEU A 5 -16.862 -1.909 -16.594 1.00 0.00 C ATOM 63 CD2 LEU A 5 -16.070 -1.276 -18.878 1.00 0.00 C ATOM 0 H LEU A 5 -12.764 -0.906 -16.662 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.250 0.588 -18.672 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.871 -0.231 -15.821 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.977 0.635 -16.870 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.878 -2.154 -17.342 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.218 -2.856 -17.000 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.553 -2.052 -15.559 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.664 -1.172 -16.635 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.436 -2.232 -19.251 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.854 -0.525 -18.974 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.200 -0.969 -19.459 1.00 0.00 H new ATOM 75 N ASP A 6 -13.947 2.913 -17.887 1.00 0.00 N ATOM 76 CA ASP A 6 -13.588 4.293 -17.560 1.00 0.00 C ATOM 77 C ASP A 6 -14.357 4.796 -16.344 1.00 0.00 C ATOM 78 O ASP A 6 -13.988 5.801 -15.735 1.00 0.00 O ATOM 79 CB ASP A 6 -13.858 5.218 -18.750 1.00 0.00 C ATOM 80 CG ASP A 6 -13.099 4.809 -19.997 1.00 0.00 C ATOM 81 OD1 ASP A 6 -11.901 5.131 -20.106 1.00 0.00 O ATOM 82 OD2 ASP A 6 -13.704 4.163 -20.882 1.00 0.00 O ATOM 0 H ASP A 6 -14.445 2.809 -18.771 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.523 4.304 -17.327 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.926 5.222 -18.966 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.583 6.238 -18.481 1.00 0.00 H new ATOM 87 N ARG A 7 -15.426 4.095 -15.995 1.00 0.00 N ATOM 88 CA ARG A 7 -16.253 4.475 -14.860 1.00 0.00 C ATOM 89 C ARG A 7 -15.765 3.825 -13.569 1.00 0.00 C ATOM 90 O ARG A 7 -16.273 4.123 -12.489 1.00 0.00 O ATOM 91 CB ARG A 7 -17.715 4.101 -15.113 1.00 0.00 C ATOM 92 CG ARG A 7 -18.400 4.981 -16.145 1.00 0.00 C ATOM 93 CD ARG A 7 -19.860 4.599 -16.319 1.00 0.00 C ATOM 94 NE ARG A 7 -20.596 5.578 -17.118 1.00 0.00 N ATOM 95 CZ ARG A 7 -21.736 5.313 -17.752 1.00 0.00 C ATOM 96 NH1 ARG A 7 -22.260 4.093 -17.702 1.00 0.00 N ATOM 97 NH2 ARG A 7 -22.359 6.272 -18.425 1.00 0.00 N ATOM 0 H ARG A 7 -15.741 3.257 -16.484 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.175 5.556 -14.745 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.764 3.063 -15.443 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -18.264 4.162 -14.174 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.330 6.025 -15.839 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.883 4.893 -17.101 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -19.923 3.621 -16.797 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.329 4.506 -15.339 1.00 0.00 H new ATOM 0 HE ARG A 7 -20.213 6.520 -17.194 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -21.789 3.357 -17.177 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -23.134 3.893 -18.189 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -21.964 7.212 -18.456 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -23.233 6.069 -18.911 1.00 0.00 H new ATOM 111 N ASP A 8 -14.777 2.945 -13.679 1.00 0.00 N ATOM 112 CA ASP A 8 -14.242 2.260 -12.507 1.00 0.00 C ATOM 113 C ASP A 8 -12.740 2.485 -12.382 1.00 0.00 C ATOM 114 O ASP A 8 -11.945 1.689 -12.888 1.00 0.00 O ATOM 115 CB ASP A 8 -14.527 0.754 -12.559 1.00 0.00 C ATOM 116 CG ASP A 8 -15.991 0.408 -12.366 1.00 0.00 C ATOM 117 OD1 ASP A 8 -16.494 0.556 -11.233 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.633 -0.046 -13.338 1.00 0.00 O ATOM 0 H ASP A 8 -14.332 2.690 -14.561 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.742 2.681 -11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.193 0.362 -13.520 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.939 0.254 -11.789 1.00 0.00 H new ATOM 123 N PRO A 9 -12.326 3.584 -11.732 1.00 0.00 N ATOM 124 CA PRO A 9 -10.912 3.869 -11.494 1.00 0.00 C ATOM 125 C PRO A 9 -10.240 2.786 -10.654 1.00 0.00 C ATOM 126 O PRO A 9 -10.424 2.714 -9.433 1.00 0.00 O ATOM 127 CB PRO A 9 -10.917 5.205 -10.742 1.00 0.00 C ATOM 128 CG PRO A 9 -12.254 5.801 -11.014 1.00 0.00 C ATOM 129 CD PRO A 9 -13.196 4.645 -11.194 1.00 0.00 C ATOM 0 HA PRO A 9 -10.349 3.904 -12.427 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.762 5.056 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.117 5.857 -11.092 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.572 6.438 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.228 6.425 -11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.656 4.349 -10.251 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.006 4.889 -11.881 1.00 0.00 H new ATOM 137 N THR A 10 -9.496 1.921 -11.321 1.00 0.00 N ATOM 138 CA THR A 10 -8.720 0.899 -10.646 1.00 0.00 C ATOM 139 C THR A 10 -7.276 1.368 -10.515 1.00 0.00 C ATOM 140 O THR A 10 -6.551 1.459 -11.504 1.00 0.00 O ATOM 141 CB THR A 10 -8.773 -0.434 -11.417 1.00 0.00 C ATOM 142 OG1 THR A 10 -10.140 -0.753 -11.727 1.00 0.00 O ATOM 143 CG2 THR A 10 -8.156 -1.561 -10.601 1.00 0.00 C ATOM 0 H THR A 10 -9.414 1.908 -12.338 1.00 0.00 H new ATOM 0 HA THR A 10 -9.145 0.733 -9.656 1.00 0.00 H new ATOM 0 HB THR A 10 -8.200 -0.325 -12.338 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.175 -1.600 -12.219 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.206 -2.491 -11.168 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.114 -1.325 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.705 -1.676 -9.666 1.00 0.00 H new ATOM 151 N LEU A 11 -6.871 1.688 -9.298 1.00 0.00 N ATOM 152 CA LEU A 11 -5.569 2.287 -9.073 1.00 0.00 C ATOM 153 C LEU A 11 -4.599 1.278 -8.488 1.00 0.00 C ATOM 154 O LEU A 11 -4.985 0.388 -7.732 1.00 0.00 O ATOM 155 CB LEU A 11 -5.694 3.491 -8.137 1.00 0.00 C ATOM 156 CG LEU A 11 -6.662 4.577 -8.606 1.00 0.00 C ATOM 157 CD1 LEU A 11 -6.763 5.687 -7.570 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.226 5.141 -9.951 1.00 0.00 C ATOM 0 H LEU A 11 -7.424 1.543 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.181 2.620 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.015 3.138 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.707 3.936 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.648 4.127 -8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.457 6.451 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.125 5.274 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.780 6.132 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.928 5.912 -10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.230 5.573 -9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.207 4.342 -10.692 1.00 0.00 H new ATOM 170 N THR A 12 -3.345 1.409 -8.864 1.00 0.00 N ATOM 171 CA THR A 12 -2.290 0.590 -8.305 1.00 0.00 C ATOM 172 C THR A 12 -1.221 1.487 -7.687 1.00 0.00 C ATOM 173 O THR A 12 -0.414 2.090 -8.396 1.00 0.00 O ATOM 174 CB THR A 12 -1.665 -0.321 -9.377 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.708 -1.009 -10.084 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.726 -1.338 -8.747 1.00 0.00 C ATOM 0 H THR A 12 -3.029 2.082 -9.562 1.00 0.00 H new ATOM 0 HA THR A 12 -2.720 -0.049 -7.534 1.00 0.00 H new ATOM 0 HB THR A 12 -1.091 0.299 -10.066 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.312 -1.588 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.298 -1.969 -9.526 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.074 -0.817 -8.221 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.281 -1.957 -8.042 1.00 0.00 H new ATOM 184 N LEU A 13 -1.241 1.590 -6.369 1.00 0.00 N ATOM 185 CA LEU A 13 -0.358 2.504 -5.661 1.00 0.00 C ATOM 186 C LEU A 13 0.882 1.771 -5.176 1.00 0.00 C ATOM 187 O LEU A 13 0.798 0.628 -4.728 1.00 0.00 O ATOM 188 CB LEU A 13 -1.091 3.133 -4.471 1.00 0.00 C ATOM 189 CG LEU A 13 -2.439 3.782 -4.800 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.064 4.377 -3.548 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.276 4.848 -5.873 1.00 0.00 C ATOM 0 H LEU A 13 -1.861 1.050 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.054 3.294 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.252 2.363 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.443 3.887 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.105 3.010 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.021 4.834 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.221 3.590 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.399 5.135 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.246 5.296 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.592 5.619 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.874 4.394 -6.779 1.00 0.00 H new ATOM 203 N SER A 14 2.028 2.419 -5.276 1.00 0.00 N ATOM 204 CA SER A 14 3.271 1.828 -4.811 1.00 0.00 C ATOM 205 C SER A 14 3.317 1.822 -3.287 1.00 0.00 C ATOM 206 O SER A 14 2.945 2.808 -2.644 1.00 0.00 O ATOM 207 CB SER A 14 4.461 2.601 -5.377 1.00 0.00 C ATOM 208 OG SER A 14 4.377 2.687 -6.790 1.00 0.00 O ATOM 0 H SER A 14 2.125 3.353 -5.674 1.00 0.00 H new ATOM 0 HA SER A 14 3.324 0.797 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.488 3.603 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.390 2.107 -5.092 1.00 0.00 H new ATOM 0 HG SER A 14 5.147 3.187 -7.134 1.00 0.00 H new ATOM 214 N LEU A 15 3.747 0.706 -2.716 1.00 0.00 N ATOM 215 CA LEU A 15 3.864 0.589 -1.273 1.00 0.00 C ATOM 216 C LEU A 15 5.215 1.126 -0.821 1.00 0.00 C ATOM 217 O LEU A 15 6.261 0.635 -1.246 1.00 0.00 O ATOM 218 CB LEU A 15 3.699 -0.872 -0.839 1.00 0.00 C ATOM 219 CG LEU A 15 3.655 -1.107 0.672 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.446 -0.417 1.285 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.632 -2.596 0.977 1.00 0.00 C ATOM 0 H LEU A 15 4.020 -0.131 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 15 3.074 1.176 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.780 -1.262 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.522 -1.452 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 15 4.554 -0.678 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.432 -0.595 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.504 0.655 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.535 -0.815 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.601 -2.746 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.750 -3.047 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.529 -3.064 0.571 1.00 0.00 H new ATOM 233 N ILE A 16 5.185 2.148 0.018 1.00 0.00 N ATOM 234 CA ILE A 16 6.404 2.773 0.502 1.00 0.00 C ATOM 235 C ILE A 16 6.593 2.528 1.996 1.00 0.00 C ATOM 236 O ILE A 16 5.632 2.280 2.727 1.00 0.00 O ATOM 237 CB ILE A 16 6.412 4.294 0.232 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.202 4.964 0.894 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.426 4.563 -1.268 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.168 6.470 0.734 1.00 0.00 C ATOM 0 H ILE A 16 4.326 2.564 0.379 1.00 0.00 H new ATOM 0 HA ILE A 16 7.228 2.316 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 16 7.316 4.721 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.290 4.543 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.202 4.722 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.432 5.639 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.318 4.118 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.538 4.125 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.283 6.869 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.061 6.904 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.135 6.723 -0.326 1.00 0.00 H new ATOM 252 N ALA A 17 7.839 2.593 2.435 1.00 0.00 N ATOM 253 CA ALA A 17 8.172 2.419 3.838 1.00 0.00 C ATOM 254 C ALA A 17 8.093 3.754 4.562 1.00 0.00 C ATOM 255 O ALA A 17 8.863 4.670 4.275 1.00 0.00 O ATOM 256 CB ALA A 17 9.561 1.819 3.973 1.00 0.00 C ATOM 0 H ALA A 17 8.644 2.767 1.833 1.00 0.00 H new ATOM 0 HA ALA A 17 7.454 1.736 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.802 1.692 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.588 0.849 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.291 2.484 3.512 1.00 0.00 H new ATOM 262 N LYS A 18 7.156 3.870 5.491 1.00 0.00 N ATOM 263 CA LYS A 18 6.982 5.106 6.234 1.00 0.00 C ATOM 264 C LYS A 18 7.244 4.860 7.712 1.00 0.00 C ATOM 265 O LYS A 18 6.921 3.788 8.231 1.00 0.00 O ATOM 266 CB LYS A 18 5.569 5.663 6.036 1.00 0.00 C ATOM 267 CG LYS A 18 5.376 7.048 6.631 1.00 0.00 C ATOM 268 CD LYS A 18 3.932 7.508 6.536 1.00 0.00 C ATOM 269 CE LYS A 18 3.764 8.913 7.092 1.00 0.00 C ATOM 270 NZ LYS A 18 2.339 9.324 7.154 1.00 0.00 N ATOM 0 H LYS A 18 6.507 3.126 5.747 1.00 0.00 H new ATOM 0 HA LYS A 18 7.695 5.840 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.348 5.700 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.850 4.979 6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.687 7.041 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.019 7.759 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.608 7.485 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.291 6.818 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.198 8.961 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.317 9.617 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.272 10.288 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.930 9.304 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.815 8.669 7.769 1.00 0.00 H new ATOM 284 N ASN A 19 7.855 5.842 8.374 1.00 0.00 N ATOM 285 CA ASN A 19 8.158 5.749 9.802 1.00 0.00 C ATOM 286 C ASN A 19 9.095 4.568 10.054 1.00 0.00 C ATOM 287 O ASN A 19 9.139 3.993 11.143 1.00 0.00 O ATOM 288 CB ASN A 19 6.855 5.611 10.603 1.00 0.00 C ATOM 289 CG ASN A 19 7.037 5.829 12.093 1.00 0.00 C ATOM 290 OD1 ASN A 19 7.947 6.538 12.529 1.00 0.00 O ATOM 291 ND2 ASN A 19 6.154 5.243 12.883 1.00 0.00 N ATOM 0 H ASN A 19 8.152 6.717 7.941 1.00 0.00 H new ATOM 0 HA ASN A 19 8.661 6.658 10.132 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.127 6.329 10.225 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.439 4.617 10.437 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.211 5.370 13.894 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.416 4.664 12.482 1.00 0.00 H new ATOM 298 N THR A 20 9.857 4.230 9.023 1.00 0.00 N ATOM 299 CA THR A 20 10.767 3.104 9.063 1.00 0.00 C ATOM 300 C THR A 20 12.111 3.516 9.659 1.00 0.00 C ATOM 301 O THR A 20 12.808 4.374 9.113 1.00 0.00 O ATOM 302 CB THR A 20 10.964 2.531 7.647 1.00 0.00 C ATOM 303 OG1 THR A 20 9.693 2.132 7.120 1.00 0.00 O ATOM 304 CG2 THR A 20 11.919 1.345 7.652 1.00 0.00 C ATOM 0 H THR A 20 9.858 4.733 8.135 1.00 0.00 H new ATOM 0 HA THR A 20 10.333 2.332 9.699 1.00 0.00 H new ATOM 0 HB THR A 20 11.403 3.306 7.019 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.152 2.928 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.034 0.966 6.636 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.890 1.661 8.034 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.518 0.557 8.289 1.00 0.00 H new ATOM 312 N PRO A 21 12.479 2.916 10.799 1.00 0.00 N ATOM 313 CA PRO A 21 13.727 3.224 11.494 1.00 0.00 C ATOM 314 C PRO A 21 14.957 2.743 10.730 1.00 0.00 C ATOM 315 O PRO A 21 14.863 1.892 9.841 1.00 0.00 O ATOM 316 CB PRO A 21 13.611 2.471 12.825 1.00 0.00 C ATOM 317 CG PRO A 21 12.197 2.006 12.911 1.00 0.00 C ATOM 318 CD PRO A 21 11.704 1.886 11.503 1.00 0.00 C ATOM 0 HA PRO A 21 13.858 4.300 11.609 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.302 1.628 12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.860 3.121 13.664 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.134 1.048 13.427 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.590 2.713 13.476 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.886 0.892 11.094 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.632 2.068 11.433 1.00 0.00 H new ATOM 326 N ALA A 22 16.114 3.280 11.093 1.00 0.00 N ATOM 327 CA ALA A 22 17.363 2.930 10.430 1.00 0.00 C ATOM 328 C ALA A 22 17.893 1.584 10.915 1.00 0.00 C ATOM 329 O ALA A 22 18.844 1.039 10.357 1.00 0.00 O ATOM 330 CB ALA A 22 18.403 4.019 10.654 1.00 0.00 C ATOM 0 H ALA A 22 16.214 3.962 11.845 1.00 0.00 H new ATOM 0 HA ALA A 22 17.162 2.845 9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.331 3.744 10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.036 4.961 10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.587 4.132 11.722 1.00 0.00 H new ATOM 336 N ASN A 23 17.270 1.040 11.952 1.00 0.00 N ATOM 337 CA ASN A 23 17.704 -0.237 12.509 1.00 0.00 C ATOM 338 C ASN A 23 16.946 -1.395 11.869 1.00 0.00 C ATOM 339 O ASN A 23 17.139 -2.550 12.240 1.00 0.00 O ATOM 340 CB ASN A 23 17.510 -0.273 14.031 1.00 0.00 C ATOM 341 CG ASN A 23 16.049 -0.339 14.448 1.00 0.00 C ATOM 342 OD1 ASN A 23 15.462 -1.415 14.535 1.00 0.00 O ATOM 343 ND2 ASN A 23 15.460 0.807 14.741 1.00 0.00 N ATOM 0 H ASN A 23 16.468 1.459 12.423 1.00 0.00 H new ATOM 0 HA ASN A 23 18.766 -0.343 12.290 1.00 0.00 H new ATOM 0 HB2 ASN A 23 18.036 -1.137 14.437 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.967 0.614 14.470 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.488 0.816 15.051 1.00 0.00 H new ATOM 0 HD22 ASN A 23 15.977 1.682 14.658 1.00 0.00 H new ATOM 350 N SER A 24 16.105 -1.091 10.894 1.00 0.00 N ATOM 351 CA SER A 24 15.267 -2.105 10.279 1.00 0.00 C ATOM 352 C SER A 24 15.408 -2.091 8.763 1.00 0.00 C ATOM 353 O SER A 24 15.505 -1.029 8.150 1.00 0.00 O ATOM 354 CB SER A 24 13.810 -1.883 10.682 1.00 0.00 C ATOM 355 OG SER A 24 13.424 -0.535 10.477 1.00 0.00 O ATOM 0 H SER A 24 15.985 -0.153 10.513 1.00 0.00 H new ATOM 0 HA SER A 24 15.593 -3.083 10.633 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.164 -2.542 10.101 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.675 -2.148 11.731 1.00 0.00 H new ATOM 0 HG SER A 24 14.003 -0.129 9.798 1.00 0.00 H new ATOM 361 N MET A 25 15.444 -3.276 8.177 1.00 0.00 N ATOM 362 CA MET A 25 15.473 -3.424 6.730 1.00 0.00 C ATOM 363 C MET A 25 14.362 -4.358 6.288 1.00 0.00 C ATOM 364 O MET A 25 14.215 -5.454 6.829 1.00 0.00 O ATOM 365 CB MET A 25 16.812 -3.995 6.265 1.00 0.00 C ATOM 366 CG MET A 25 16.880 -4.207 4.757 1.00 0.00 C ATOM 367 SD MET A 25 17.928 -5.595 4.281 1.00 0.00 S ATOM 368 CE MET A 25 19.518 -5.063 4.900 1.00 0.00 C ATOM 0 H MET A 25 15.454 -4.159 8.687 1.00 0.00 H new ATOM 0 HA MET A 25 15.335 -2.438 6.287 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.613 -3.320 6.568 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.989 -4.946 6.768 1.00 0.00 H new ATOM 0 HG2 MET A 25 15.873 -4.373 4.374 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.255 -3.299 4.285 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.277 -5.797 4.631 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.775 -4.099 4.462 1.00 0.00 H new ATOM 0 HE3 MET A 25 19.473 -4.968 5.985 1.00 0.00 H new ATOM 378 N ILE A 26 13.585 -3.935 5.314 1.00 0.00 N ATOM 379 CA ILE A 26 12.541 -4.778 4.772 1.00 0.00 C ATOM 380 C ILE A 26 13.112 -5.630 3.647 1.00 0.00 C ATOM 381 O ILE A 26 13.246 -5.164 2.515 1.00 0.00 O ATOM 382 CB ILE A 26 11.352 -3.951 4.235 1.00 0.00 C ATOM 383 CG1 ILE A 26 10.997 -2.828 5.211 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.150 -4.857 4.010 1.00 0.00 C ATOM 385 CD1 ILE A 26 9.877 -1.930 4.727 1.00 0.00 C ATOM 0 H ILE A 26 13.656 -3.014 4.882 1.00 0.00 H new ATOM 0 HA ILE A 26 12.171 -5.411 5.579 1.00 0.00 H new ATOM 0 HB ILE A 26 11.638 -3.501 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.711 -3.267 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.885 -2.222 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.315 -4.267 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.407 -5.629 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.865 -5.325 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.682 -1.158 5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.167 -1.462 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.975 -2.523 4.574 1.00 0.00 H new ATOM 397 N MET A 27 13.471 -6.870 3.971 1.00 0.00 N ATOM 398 CA MET A 27 14.055 -7.781 2.991 1.00 0.00 C ATOM 399 C MET A 27 13.056 -8.060 1.878 1.00 0.00 C ATOM 400 O MET A 27 13.428 -8.254 0.719 1.00 0.00 O ATOM 401 CB MET A 27 14.480 -9.095 3.655 1.00 0.00 C ATOM 402 CG MET A 27 15.585 -8.932 4.688 1.00 0.00 C ATOM 403 SD MET A 27 16.079 -10.500 5.435 1.00 0.00 S ATOM 404 CE MET A 27 16.648 -11.398 3.993 1.00 0.00 C ATOM 0 H MET A 27 13.368 -7.267 4.905 1.00 0.00 H new ATOM 0 HA MET A 27 14.940 -7.307 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.611 -9.547 4.134 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.816 -9.789 2.884 1.00 0.00 H new ATOM 0 HG2 MET A 27 16.452 -8.470 4.216 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.248 -8.252 5.470 1.00 0.00 H new ATOM 0 HE1 MET A 27 17.298 -12.215 4.306 1.00 0.00 H new ATOM 0 HE2 MET A 27 15.791 -11.802 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.202 -10.724 3.340 1.00 0.00 H new ATOM 414 N THR A 28 11.785 -8.079 2.245 1.00 0.00 N ATOM 415 CA THR A 28 10.711 -8.212 1.283 1.00 0.00 C ATOM 416 C THR A 28 10.531 -6.897 0.531 1.00 0.00 C ATOM 417 O THR A 28 10.012 -5.926 1.083 1.00 0.00 O ATOM 418 CB THR A 28 9.394 -8.582 1.991 1.00 0.00 C ATOM 419 OG1 THR A 28 9.652 -9.572 2.997 1.00 0.00 O ATOM 420 CG2 THR A 28 8.372 -9.116 0.999 1.00 0.00 C ATOM 0 H THR A 28 11.473 -8.003 3.213 1.00 0.00 H new ATOM 0 HA THR A 28 10.968 -9.006 0.581 1.00 0.00 H new ATOM 0 HB THR A 28 8.986 -7.682 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.861 -10.139 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.452 -9.369 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.162 -8.355 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.769 -10.007 0.512 1.00 0.00 H new ATOM 428 N LYS A 29 10.988 -6.855 -0.712 1.00 0.00 N ATOM 429 CA LYS A 29 10.925 -5.632 -1.499 1.00 0.00 C ATOM 430 C LYS A 29 9.479 -5.230 -1.752 1.00 0.00 C ATOM 431 O LYS A 29 8.697 -5.992 -2.327 1.00 0.00 O ATOM 432 CB LYS A 29 11.703 -5.790 -2.806 1.00 0.00 C ATOM 433 CG LYS A 29 13.188 -6.009 -2.575 1.00 0.00 C ATOM 434 CD LYS A 29 13.985 -5.982 -3.868 1.00 0.00 C ATOM 435 CE LYS A 29 15.468 -6.147 -3.588 1.00 0.00 C ATOM 436 NZ LYS A 29 16.291 -6.051 -4.819 1.00 0.00 N ATOM 0 H LYS A 29 11.405 -7.650 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 29 11.395 -4.829 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.298 -6.632 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.561 -4.900 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.566 -5.239 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.338 -6.968 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.644 -6.779 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.811 -5.040 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.788 -5.383 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.640 -7.113 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.295 -6.170 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.006 -6.796 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.150 -5.119 -5.259 1.00 0.00 H new ATOM 450 N LEU A 30 9.142 -4.030 -1.298 1.00 0.00 N ATOM 451 CA LEU A 30 7.769 -3.538 -1.292 1.00 0.00 C ATOM 452 C LEU A 30 7.163 -3.500 -2.693 1.00 0.00 C ATOM 453 O LEU A 30 7.703 -2.861 -3.598 1.00 0.00 O ATOM 454 CB LEU A 30 7.726 -2.144 -0.667 1.00 0.00 C ATOM 455 CG LEU A 30 8.265 -2.063 0.764 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.302 -0.621 1.236 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.415 -2.907 1.702 1.00 0.00 C ATOM 0 H LEU A 30 9.818 -3.365 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 30 7.172 -4.231 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.299 -1.462 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.695 -1.791 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 30 9.282 -2.456 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.688 -0.581 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.950 -0.040 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.295 -0.205 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.812 -2.838 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.388 -2.542 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.435 -3.947 1.375 1.00 0.00 H new ATOM 469 N PRO A 31 6.031 -4.201 -2.877 1.00 0.00 N ATOM 470 CA PRO A 31 5.302 -4.239 -4.143 1.00 0.00 C ATOM 471 C PRO A 31 4.301 -3.084 -4.267 1.00 0.00 C ATOM 472 O PRO A 31 4.466 -2.038 -3.637 1.00 0.00 O ATOM 473 CB PRO A 31 4.582 -5.583 -4.055 1.00 0.00 C ATOM 474 CG PRO A 31 4.291 -5.762 -2.602 1.00 0.00 C ATOM 475 CD PRO A 31 5.373 -5.029 -1.848 1.00 0.00 C ATOM 0 HA PRO A 31 5.948 -4.135 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.666 -5.581 -4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.205 -6.392 -4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.308 -5.363 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.283 -6.819 -2.337 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.957 -4.416 -1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.075 -5.722 -1.385 1.00 0.00 H new ATOM 483 N SER A 32 3.273 -3.270 -5.084 1.00 0.00 N ATOM 484 CA SER A 32 2.247 -2.255 -5.259 1.00 0.00 C ATOM 485 C SER A 32 0.872 -2.802 -4.861 1.00 0.00 C ATOM 486 O SER A 32 0.613 -4.003 -4.971 1.00 0.00 O ATOM 487 CB SER A 32 2.239 -1.776 -6.711 1.00 0.00 C ATOM 488 OG SER A 32 3.538 -1.361 -7.116 1.00 0.00 O ATOM 0 H SER A 32 3.129 -4.116 -5.636 1.00 0.00 H new ATOM 0 HA SER A 32 2.471 -1.409 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.890 -2.579 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.538 -0.949 -6.821 1.00 0.00 H new ATOM 0 HG SER A 32 3.510 -1.060 -8.048 1.00 0.00 H new ATOM 494 N VAL A 33 0.000 -1.917 -4.393 1.00 0.00 N ATOM 495 CA VAL A 33 -1.327 -2.308 -3.935 1.00 0.00 C ATOM 496 C VAL A 33 -2.389 -1.949 -4.975 1.00 0.00 C ATOM 497 O VAL A 33 -2.335 -0.886 -5.594 1.00 0.00 O ATOM 498 CB VAL A 33 -1.670 -1.638 -2.579 1.00 0.00 C ATOM 499 CG1 VAL A 33 -1.709 -0.122 -2.704 1.00 0.00 C ATOM 500 CG2 VAL A 33 -2.985 -2.162 -2.020 1.00 0.00 C ATOM 0 H VAL A 33 0.190 -0.918 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.321 -3.389 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.876 -1.899 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.952 0.317 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.735 0.241 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.468 0.164 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.197 -1.673 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.790 -1.951 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.912 -3.239 -1.866 1.00 0.00 H new ATOM 510 N ARG A 34 -3.338 -2.849 -5.178 1.00 0.00 N ATOM 511 CA ARG A 34 -4.439 -2.610 -6.097 1.00 0.00 C ATOM 512 C ARG A 34 -5.667 -2.152 -5.331 1.00 0.00 C ATOM 513 O ARG A 34 -6.166 -2.863 -4.456 1.00 0.00 O ATOM 514 CB ARG A 34 -4.769 -3.871 -6.897 1.00 0.00 C ATOM 515 CG ARG A 34 -3.715 -4.240 -7.926 1.00 0.00 C ATOM 516 CD ARG A 34 -4.102 -5.493 -8.695 1.00 0.00 C ATOM 517 NE ARG A 34 -5.407 -5.366 -9.343 1.00 0.00 N ATOM 518 CZ ARG A 34 -5.639 -5.649 -10.625 1.00 0.00 C ATOM 519 NH1 ARG A 34 -4.656 -6.087 -11.405 1.00 0.00 N ATOM 520 NH2 ARG A 34 -6.860 -5.508 -11.122 1.00 0.00 N ATOM 0 H ARG A 34 -3.367 -3.757 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.135 -1.829 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.896 -4.705 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.723 -3.729 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.579 -3.412 -8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.758 -4.398 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.343 -5.703 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.118 -6.344 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.191 -5.040 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.718 -6.208 -11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.840 -6.302 -12.385 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.620 -5.184 -10.524 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.040 -5.724 -12.103 1.00 0.00 H new ATOM 534 N VAL A 35 -6.139 -0.960 -5.650 1.00 0.00 N ATOM 535 CA VAL A 35 -7.300 -0.397 -4.992 1.00 0.00 C ATOM 536 C VAL A 35 -8.325 0.076 -6.020 1.00 0.00 C ATOM 537 O VAL A 35 -8.014 0.866 -6.913 1.00 0.00 O ATOM 538 CB VAL A 35 -6.918 0.773 -4.046 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.089 0.269 -2.873 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.159 1.863 -4.790 1.00 0.00 C ATOM 0 H VAL A 35 -5.731 -0.360 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.741 -1.188 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.845 1.202 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.832 1.105 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.665 -0.465 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.176 -0.195 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.907 2.667 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.244 1.446 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.782 2.257 -5.593 1.00 0.00 H new ATOM 550 N LYS A 36 -9.542 -0.432 -5.919 1.00 0.00 N ATOM 551 CA LYS A 36 -10.608 0.009 -6.798 1.00 0.00 C ATOM 552 C LYS A 36 -11.408 1.086 -6.094 1.00 0.00 C ATOM 553 O LYS A 36 -11.672 0.981 -4.896 1.00 0.00 O ATOM 554 CB LYS A 36 -11.520 -1.151 -7.202 1.00 0.00 C ATOM 555 CG LYS A 36 -12.635 -0.726 -8.145 1.00 0.00 C ATOM 556 CD LYS A 36 -13.523 -1.889 -8.544 1.00 0.00 C ATOM 557 CE LYS A 36 -14.653 -1.422 -9.446 1.00 0.00 C ATOM 558 NZ LYS A 36 -15.540 -2.537 -9.857 1.00 0.00 N ATOM 0 H LYS A 36 -9.814 -1.145 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.167 0.407 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.922 -1.927 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.957 -1.592 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.240 0.043 -7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.201 -0.279 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.930 -2.645 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.935 -2.360 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.241 -0.665 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.234 -0.947 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.296 -2.171 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.986 -3.248 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.961 -2.975 -9.013 1.00 0.00 H new ATOM 572 N THR A 37 -11.782 2.121 -6.824 1.00 0.00 N ATOM 573 CA THR A 37 -12.462 3.248 -6.223 1.00 0.00 C ATOM 574 C THR A 37 -13.771 3.570 -6.939 1.00 0.00 C ATOM 575 O THR A 37 -13.955 3.229 -8.111 1.00 0.00 O ATOM 576 CB THR A 37 -11.553 4.492 -6.219 1.00 0.00 C ATOM 577 OG1 THR A 37 -11.048 4.738 -7.538 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.388 4.314 -5.255 1.00 0.00 C ATOM 0 H THR A 37 -11.626 2.202 -7.829 1.00 0.00 H new ATOM 0 HA THR A 37 -12.698 2.969 -5.196 1.00 0.00 H new ATOM 0 HB THR A 37 -12.150 5.343 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.775 3.890 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.762 5.206 -5.272 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.771 4.158 -4.246 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.796 3.450 -5.556 1.00 0.00 H new ATOM 586 N GLU A 38 -14.684 4.198 -6.212 1.00 0.00 N ATOM 587 CA GLU A 38 -15.934 4.673 -6.779 1.00 0.00 C ATOM 588 C GLU A 38 -15.890 6.183 -6.928 1.00 0.00 C ATOM 589 O GLU A 38 -15.701 6.909 -5.950 1.00 0.00 O ATOM 590 CB GLU A 38 -17.127 4.285 -5.901 1.00 0.00 C ATOM 591 CG GLU A 38 -17.354 2.789 -5.794 1.00 0.00 C ATOM 592 CD GLU A 38 -18.653 2.452 -5.097 1.00 0.00 C ATOM 593 OE1 GLU A 38 -18.661 2.343 -3.854 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.679 2.301 -5.794 1.00 0.00 O ATOM 0 H GLU A 38 -14.578 4.391 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 38 -16.059 4.205 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.976 4.692 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -18.027 4.751 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.357 2.352 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.525 2.336 -5.250 1.00 0.00 H new ATOM 601 N GLY A 39 -16.045 6.647 -8.152 1.00 0.00 N ATOM 602 CA GLY A 39 -16.035 8.065 -8.412 1.00 0.00 C ATOM 603 C GLY A 39 -15.401 8.372 -9.743 1.00 0.00 C ATOM 604 O GLY A 39 -15.112 7.460 -10.518 1.00 0.00 O ATOM 0 H GLY A 39 -16.179 6.062 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.056 8.447 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.490 8.578 -7.620 1.00 0.00 H new ATOM 608 N TYR A 40 -15.179 9.643 -10.014 1.00 0.00 N ATOM 609 CA TYR A 40 -14.573 10.056 -11.265 1.00 0.00 C ATOM 610 C TYR A 40 -13.504 11.096 -11.001 1.00 0.00 C ATOM 611 O TYR A 40 -13.809 12.260 -10.755 1.00 0.00 O ATOM 612 CB TYR A 40 -15.629 10.606 -12.229 1.00 0.00 C ATOM 613 CG TYR A 40 -16.680 9.589 -12.607 1.00 0.00 C ATOM 614 CD1 TYR A 40 -16.406 8.593 -13.536 1.00 0.00 C ATOM 615 CD2 TYR A 40 -17.943 9.617 -12.029 1.00 0.00 C ATOM 616 CE1 TYR A 40 -17.358 7.653 -13.875 1.00 0.00 C ATOM 617 CE2 TYR A 40 -18.901 8.681 -12.364 1.00 0.00 C ATOM 618 CZ TYR A 40 -18.603 7.702 -13.287 1.00 0.00 C ATOM 619 OH TYR A 40 -19.556 6.767 -13.622 1.00 0.00 O ATOM 0 H TYR A 40 -15.410 10.410 -9.383 1.00 0.00 H new ATOM 0 HA TYR A 40 -14.113 9.185 -11.732 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -16.115 11.468 -11.771 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.135 10.962 -13.133 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.432 8.554 -14.001 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -18.179 10.383 -11.306 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -17.128 6.883 -14.597 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -19.878 8.716 -11.905 1.00 0.00 H new ATOM 0 HH TYR A 40 -20.378 6.942 -13.117 1.00 0.00 H new ATOM 629 N ASN A 41 -12.257 10.652 -11.019 1.00 0.00 N ATOM 630 CA ASN A 41 -11.118 11.532 -10.791 1.00 0.00 C ATOM 631 C ASN A 41 -11.039 12.622 -11.858 1.00 0.00 C ATOM 632 O ASN A 41 -10.802 12.342 -13.032 1.00 0.00 O ATOM 633 CB ASN A 41 -9.803 10.727 -10.730 1.00 0.00 C ATOM 634 CG ASN A 41 -9.728 9.554 -11.708 1.00 0.00 C ATOM 635 OD1 ASN A 41 -9.117 8.529 -11.408 1.00 0.00 O ATOM 636 ND2 ASN A 41 -10.324 9.689 -12.885 1.00 0.00 N ATOM 0 H ASN A 41 -12.005 9.679 -11.191 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.263 12.019 -9.827 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.970 11.402 -10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.672 10.347 -9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.283 8.932 -13.567 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.824 10.550 -13.108 1.00 0.00 H new ATOM 643 N PRO A 42 -11.268 13.883 -11.460 1.00 0.00 N ATOM 644 CA PRO A 42 -11.213 15.023 -12.373 1.00 0.00 C ATOM 645 C PRO A 42 -9.780 15.321 -12.794 1.00 0.00 C ATOM 646 O PRO A 42 -9.428 15.231 -13.972 1.00 0.00 O ATOM 647 CB PRO A 42 -11.790 16.189 -11.552 1.00 0.00 C ATOM 648 CG PRO A 42 -12.375 15.570 -10.324 1.00 0.00 C ATOM 649 CD PRO A 42 -11.609 14.301 -10.093 1.00 0.00 C ATOM 0 HA PRO A 42 -11.765 14.841 -13.295 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.013 16.909 -11.295 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.549 16.728 -12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.286 16.240 -9.469 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.437 15.365 -10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.719 14.469 -9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.210 13.552 -9.578 1.00 0.00 H new ATOM 657 N SER A 43 -8.958 15.659 -11.814 1.00 0.00 N ATOM 658 CA SER A 43 -7.545 15.881 -12.038 1.00 0.00 C ATOM 659 C SER A 43 -6.767 15.418 -10.814 1.00 0.00 C ATOM 660 O SER A 43 -6.404 16.219 -9.952 1.00 0.00 O ATOM 661 CB SER A 43 -7.273 17.363 -12.325 1.00 0.00 C ATOM 662 OG SER A 43 -5.933 17.574 -12.738 1.00 0.00 O ATOM 0 H SER A 43 -9.253 15.786 -10.846 1.00 0.00 H new ATOM 0 HA SER A 43 -7.221 15.308 -12.907 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.954 17.716 -13.100 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.476 17.951 -11.430 1.00 0.00 H new ATOM 0 HG SER A 43 -5.791 18.527 -12.915 1.00 0.00 H new ATOM 668 N ILE A 44 -6.568 14.114 -10.710 1.00 0.00 N ATOM 669 CA ILE A 44 -5.853 13.540 -9.581 1.00 0.00 C ATOM 670 C ILE A 44 -4.649 12.759 -10.078 1.00 0.00 C ATOM 671 O ILE A 44 -4.765 11.940 -10.993 1.00 0.00 O ATOM 672 CB ILE A 44 -6.760 12.615 -8.738 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.999 13.377 -8.258 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.989 12.054 -7.550 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.959 12.531 -7.450 1.00 0.00 C ATOM 0 H ILE A 44 -6.892 13.431 -11.395 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.526 14.361 -8.943 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.085 11.784 -9.364 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.681 14.227 -7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.524 13.780 -9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.642 11.405 -6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.134 11.481 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.639 12.874 -6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.811 13.138 -7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.308 11.696 -8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.451 12.149 -6.565 1.00 0.00 H new ATOM 687 N ASN A 45 -3.497 13.016 -9.485 1.00 0.00 N ATOM 688 CA ASN A 45 -2.265 12.399 -9.937 1.00 0.00 C ATOM 689 C ASN A 45 -1.962 11.139 -9.135 1.00 0.00 C ATOM 690 O ASN A 45 -1.517 11.193 -7.982 1.00 0.00 O ATOM 691 CB ASN A 45 -1.108 13.395 -9.852 1.00 0.00 C ATOM 692 CG ASN A 45 0.158 12.877 -10.503 1.00 0.00 C ATOM 693 OD1 ASN A 45 0.119 12.003 -11.370 1.00 0.00 O ATOM 694 ND2 ASN A 45 1.289 13.434 -10.109 1.00 0.00 N ATOM 0 H ASN A 45 -3.390 13.647 -8.691 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.389 12.107 -10.980 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.402 14.329 -10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.906 13.623 -8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.173 13.143 -10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.278 14.155 -9.388 1.00 0.00 H new ATOM 701 N VAL A 46 -2.210 9.999 -9.764 1.00 0.00 N ATOM 702 CA VAL A 46 -1.993 8.704 -9.138 1.00 0.00 C ATOM 703 C VAL A 46 -0.515 8.515 -8.812 1.00 0.00 C ATOM 704 O VAL A 46 -0.155 7.755 -7.919 1.00 0.00 O ATOM 705 CB VAL A 46 -2.473 7.558 -10.057 1.00 0.00 C ATOM 706 CG1 VAL A 46 -2.436 6.220 -9.331 1.00 0.00 C ATOM 707 CG2 VAL A 46 -3.870 7.847 -10.585 1.00 0.00 C ATOM 0 H VAL A 46 -2.566 9.946 -10.718 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.572 8.676 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.790 7.496 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.779 5.432 -10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.416 6.007 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.087 6.262 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.191 7.029 -11.230 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.562 7.943 -9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.859 8.776 -11.155 1.00 0.00 H new ATOM 717 N ASN A 47 0.335 9.232 -9.539 1.00 0.00 N ATOM 718 CA ASN A 47 1.777 9.193 -9.310 1.00 0.00 C ATOM 719 C ASN A 47 2.131 9.790 -7.945 1.00 0.00 C ATOM 720 O ASN A 47 3.201 9.526 -7.403 1.00 0.00 O ATOM 721 CB ASN A 47 2.508 9.959 -10.419 1.00 0.00 C ATOM 722 CG ASN A 47 4.017 9.811 -10.341 1.00 0.00 C ATOM 723 OD1 ASN A 47 4.536 8.760 -9.958 1.00 0.00 O ATOM 724 ND2 ASN A 47 4.735 10.863 -10.701 1.00 0.00 N ATOM 0 H ASN A 47 0.049 9.852 -10.297 1.00 0.00 H new ATOM 0 HA ASN A 47 2.095 8.150 -9.323 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.162 9.602 -11.389 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.248 11.016 -10.357 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.754 10.821 -10.667 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.270 11.716 -11.013 1.00 0.00 H new ATOM 731 N GLU A 48 1.232 10.600 -7.398 1.00 0.00 N ATOM 732 CA GLU A 48 1.451 11.210 -6.092 1.00 0.00 C ATOM 733 C GLU A 48 0.597 10.532 -5.027 1.00 0.00 C ATOM 734 O GLU A 48 0.766 10.774 -3.831 1.00 0.00 O ATOM 735 CB GLU A 48 1.164 12.709 -6.147 1.00 0.00 C ATOM 736 CG GLU A 48 2.142 13.461 -7.033 1.00 0.00 C ATOM 737 CD GLU A 48 1.828 14.935 -7.148 1.00 0.00 C ATOM 738 OE1 GLU A 48 0.967 15.299 -7.975 1.00 0.00 O ATOM 739 OE2 GLU A 48 2.466 15.739 -6.442 1.00 0.00 O ATOM 0 H GLU A 48 0.346 10.849 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 48 2.498 11.072 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.150 12.867 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.204 13.120 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.150 13.341 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.137 13.016 -8.028 1.00 0.00 H new ATOM 746 N LEU A 49 -0.338 9.701 -5.467 1.00 0.00 N ATOM 747 CA LEU A 49 -1.080 8.842 -4.551 1.00 0.00 C ATOM 748 C LEU A 49 -0.247 7.606 -4.211 1.00 0.00 C ATOM 749 O LEU A 49 0.253 6.924 -5.105 1.00 0.00 O ATOM 750 CB LEU A 49 -2.415 8.416 -5.167 1.00 0.00 C ATOM 751 CG LEU A 49 -3.381 9.555 -5.496 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.651 9.000 -6.122 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.709 10.358 -4.247 1.00 0.00 C ATOM 0 H LEU A 49 -0.601 9.603 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.285 9.404 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.212 7.859 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.910 7.730 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.901 10.222 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.332 9.820 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.402 8.467 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.131 8.315 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.398 11.163 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.172 9.706 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.793 10.781 -3.835 1.00 0.00 H new ATOM 765 N PHE A 50 -0.095 7.320 -2.924 1.00 0.00 N ATOM 766 CA PHE A 50 0.737 6.203 -2.488 1.00 0.00 C ATOM 767 C PHE A 50 0.068 5.402 -1.378 1.00 0.00 C ATOM 768 O PHE A 50 -0.985 5.779 -0.862 1.00 0.00 O ATOM 769 CB PHE A 50 2.098 6.699 -1.981 1.00 0.00 C ATOM 770 CG PHE A 50 3.000 7.252 -3.047 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.626 6.407 -3.950 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.236 8.614 -3.135 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.469 6.911 -4.921 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.078 9.125 -4.105 1.00 0.00 C ATOM 775 CZ PHE A 50 4.694 8.270 -4.999 1.00 0.00 C ATOM 0 H PHE A 50 -0.534 7.843 -2.166 1.00 0.00 H new ATOM 0 HA PHE A 50 0.877 5.560 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.931 7.470 -1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.608 5.874 -1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.453 5.343 -3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.756 9.285 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.951 6.242 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.254 10.189 -4.164 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.352 8.666 -5.759 1.00 0.00 H new ATOM 785 N ALA A 51 0.697 4.293 -1.025 1.00 0.00 N ATOM 786 CA ALA A 51 0.302 3.503 0.126 1.00 0.00 C ATOM 787 C ALA A 51 1.543 3.203 0.947 1.00 0.00 C ATOM 788 O ALA A 51 2.607 2.953 0.388 1.00 0.00 O ATOM 789 CB ALA A 51 -0.386 2.217 -0.306 1.00 0.00 C ATOM 0 H ALA A 51 1.498 3.916 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.414 4.063 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.672 1.643 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.276 2.458 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.297 1.627 -0.917 1.00 0.00 H new ATOM 795 N TYR A 52 1.428 3.240 2.259 1.00 0.00 N ATOM 796 CA TYR A 52 2.598 3.111 3.108 1.00 0.00 C ATOM 797 C TYR A 52 2.412 2.052 4.180 1.00 0.00 C ATOM 798 O TYR A 52 1.293 1.710 4.557 1.00 0.00 O ATOM 799 CB TYR A 52 2.943 4.459 3.757 1.00 0.00 C ATOM 800 CG TYR A 52 1.789 5.127 4.475 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.895 5.943 3.790 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.602 4.951 5.839 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.154 6.558 4.445 1.00 0.00 C ATOM 804 CE2 TYR A 52 0.558 5.565 6.500 1.00 0.00 C ATOM 805 CZ TYR A 52 -0.318 6.365 5.800 1.00 0.00 C ATOM 806 OH TYR A 52 -1.360 6.975 6.461 1.00 0.00 O ATOM 0 H TYR A 52 0.546 3.357 2.758 1.00 0.00 H new ATOM 0 HA TYR A 52 3.424 2.795 2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.757 4.308 4.466 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.314 5.134 2.986 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.023 6.098 2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.285 4.323 6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.842 7.186 3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.428 5.419 7.562 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.331 6.733 7.410 1.00 0.00 H new ATOM 816 N VAL A 53 3.526 1.538 4.665 1.00 0.00 N ATOM 817 CA VAL A 53 3.521 0.639 5.800 1.00 0.00 C ATOM 818 C VAL A 53 4.178 1.322 6.986 1.00 0.00 C ATOM 819 O VAL A 53 5.345 1.716 6.927 1.00 0.00 O ATOM 820 CB VAL A 53 4.232 -0.702 5.503 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.354 -1.592 4.638 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.581 -0.475 4.831 1.00 0.00 C ATOM 0 H VAL A 53 4.453 1.731 4.286 1.00 0.00 H new ATOM 0 HA VAL A 53 2.481 0.403 6.026 1.00 0.00 H new ATOM 0 HB VAL A 53 4.409 -1.203 6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.871 -2.531 4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.418 -1.796 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.142 -1.088 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.056 -1.436 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.434 0.056 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.219 0.118 5.486 1.00 0.00 H new ATOM 832 N ASP A 54 3.406 1.500 8.041 1.00 0.00 N ATOM 833 CA ASP A 54 3.884 2.185 9.229 1.00 0.00 C ATOM 834 C ASP A 54 4.616 1.215 10.135 1.00 0.00 C ATOM 835 O ASP A 54 4.006 0.360 10.779 1.00 0.00 O ATOM 836 CB ASP A 54 2.715 2.844 9.965 1.00 0.00 C ATOM 837 CG ASP A 54 3.068 3.294 11.369 1.00 0.00 C ATOM 838 OD1 ASP A 54 4.073 4.010 11.547 1.00 0.00 O ATOM 839 OD2 ASP A 54 2.316 2.948 12.303 1.00 0.00 O ATOM 0 H ASP A 54 2.440 1.178 8.100 1.00 0.00 H new ATOM 0 HA ASP A 54 4.583 2.966 8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.372 3.704 9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.883 2.141 10.014 1.00 0.00 H new ATOM 844 N LEU A 55 5.930 1.338 10.160 1.00 0.00 N ATOM 845 CA LEU A 55 6.760 0.451 10.952 1.00 0.00 C ATOM 846 C LEU A 55 7.064 1.073 12.308 1.00 0.00 C ATOM 847 O LEU A 55 8.205 1.056 12.773 1.00 0.00 O ATOM 848 CB LEU A 55 8.057 0.125 10.206 1.00 0.00 C ATOM 849 CG LEU A 55 7.869 -0.565 8.851 1.00 0.00 C ATOM 850 CD1 LEU A 55 9.213 -0.949 8.257 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.983 -1.793 8.987 1.00 0.00 C ATOM 0 H LEU A 55 6.447 2.046 9.639 1.00 0.00 H new ATOM 0 HA LEU A 55 6.214 -0.478 11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.612 1.050 10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.672 -0.514 10.840 1.00 0.00 H new ATOM 0 HG LEU A 55 7.379 0.139 8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.059 -1.438 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.818 -0.053 8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.728 -1.632 8.933 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.864 -2.266 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.443 -2.499 9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.006 -1.496 9.368 1.00 0.00 H new ATOM 863 N SER A 56 6.030 1.623 12.934 1.00 0.00 N ATOM 864 CA SER A 56 6.142 2.159 14.281 1.00 0.00 C ATOM 865 C SER A 56 6.630 1.071 15.231 1.00 0.00 C ATOM 866 O SER A 56 7.526 1.288 16.047 1.00 0.00 O ATOM 867 CB SER A 56 4.790 2.716 14.728 1.00 0.00 C ATOM 868 OG SER A 56 3.730 1.867 14.310 1.00 0.00 O ATOM 0 H SER A 56 5.100 1.709 12.525 1.00 0.00 H new ATOM 0 HA SER A 56 6.868 2.972 14.293 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.774 2.817 15.813 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.648 3.714 14.313 1.00 0.00 H new ATOM 0 HG SER A 56 3.100 2.377 13.759 1.00 0.00 H new ATOM 874 N GLY A 57 6.046 -0.106 15.093 1.00 0.00 N ATOM 875 CA GLY A 57 6.509 -1.259 15.828 1.00 0.00 C ATOM 876 C GLY A 57 7.363 -2.152 14.958 1.00 0.00 C ATOM 877 O GLY A 57 6.962 -3.263 14.617 1.00 0.00 O ATOM 0 H GLY A 57 5.252 -0.284 14.478 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.083 -0.934 16.696 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.654 -1.822 16.204 1.00 0.00 H new ATOM 881 N SER A 58 8.531 -1.647 14.577 1.00 0.00 N ATOM 882 CA SER A 58 9.443 -2.376 13.707 1.00 0.00 C ATOM 883 C SER A 58 10.038 -3.584 14.423 1.00 0.00 C ATOM 884 O SER A 58 10.962 -3.454 15.230 1.00 0.00 O ATOM 885 CB SER A 58 10.552 -1.441 13.227 1.00 0.00 C ATOM 886 OG SER A 58 11.136 -0.751 14.320 1.00 0.00 O ATOM 0 H SER A 58 8.870 -0.728 14.861 1.00 0.00 H new ATOM 0 HA SER A 58 8.883 -2.742 12.846 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.316 -2.015 12.703 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.146 -0.724 12.513 1.00 0.00 H new ATOM 0 HG SER A 58 11.378 -1.393 15.020 1.00 0.00 H new ATOM 892 N GLU A 59 9.498 -4.754 14.130 1.00 0.00 N ATOM 893 CA GLU A 59 9.930 -5.978 14.778 1.00 0.00 C ATOM 894 C GLU A 59 10.650 -6.881 13.787 1.00 0.00 C ATOM 895 O GLU A 59 10.147 -7.137 12.694 1.00 0.00 O ATOM 896 CB GLU A 59 8.726 -6.705 15.374 1.00 0.00 C ATOM 897 CG GLU A 59 7.953 -5.872 16.380 1.00 0.00 C ATOM 898 CD GLU A 59 6.718 -6.578 16.886 1.00 0.00 C ATOM 899 OE1 GLU A 59 6.834 -7.362 17.852 1.00 0.00 O ATOM 900 OE2 GLU A 59 5.628 -6.357 16.324 1.00 0.00 O ATOM 0 H GLU A 59 8.755 -4.881 13.443 1.00 0.00 H new ATOM 0 HA GLU A 59 10.624 -5.723 15.579 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.055 -7.002 14.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.067 -7.620 15.858 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.601 -5.631 17.223 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.665 -4.927 15.920 1.00 0.00 H new ATOM 907 N PRO A 60 11.843 -7.371 14.155 1.00 0.00 N ATOM 908 CA PRO A 60 12.629 -8.259 13.296 1.00 0.00 C ATOM 909 C PRO A 60 11.940 -9.602 13.070 1.00 0.00 C ATOM 910 O PRO A 60 11.364 -10.182 13.995 1.00 0.00 O ATOM 911 CB PRO A 60 13.939 -8.449 14.070 1.00 0.00 C ATOM 912 CG PRO A 60 13.602 -8.134 15.486 1.00 0.00 C ATOM 913 CD PRO A 60 12.517 -7.096 15.435 1.00 0.00 C ATOM 0 HA PRO A 60 12.770 -7.839 12.300 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.311 -9.469 13.971 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.719 -7.787 13.694 1.00 0.00 H new ATOM 0 HG2 PRO A 60 13.264 -9.026 16.014 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.475 -7.759 16.020 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.832 -7.189 16.278 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.925 -6.086 15.465 1.00 0.00 H new ATOM 921 N GLY A 61 12.004 -10.087 11.842 1.00 0.00 N ATOM 922 CA GLY A 61 11.367 -11.339 11.496 1.00 0.00 C ATOM 923 C GLY A 61 10.207 -11.133 10.548 1.00 0.00 C ATOM 924 O GLY A 61 9.891 -9.999 10.185 1.00 0.00 O ATOM 0 H GLY A 61 12.491 -9.631 11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.098 -12.005 11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.013 -11.830 12.403 1.00 0.00 H new ATOM 928 N GLU A 62 9.577 -12.222 10.138 1.00 0.00 N ATOM 929 CA GLU A 62 8.417 -12.150 9.261 1.00 0.00 C ATOM 930 C GLU A 62 7.184 -11.715 10.041 1.00 0.00 C ATOM 931 O GLU A 62 6.554 -12.521 10.729 1.00 0.00 O ATOM 932 CB GLU A 62 8.164 -13.503 8.598 1.00 0.00 C ATOM 933 CG GLU A 62 9.240 -13.907 7.606 1.00 0.00 C ATOM 934 CD GLU A 62 9.074 -15.329 7.119 1.00 0.00 C ATOM 935 OE1 GLU A 62 8.062 -15.621 6.447 1.00 0.00 O ATOM 936 OE2 GLU A 62 9.947 -16.169 7.424 1.00 0.00 O ATOM 0 H GLU A 62 9.850 -13.170 10.399 1.00 0.00 H new ATOM 0 HA GLU A 62 8.620 -11.411 8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.089 -14.268 9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.203 -13.472 8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.216 -13.229 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.219 -13.798 8.072 1.00 0.00 H new ATOM 943 N HIS A 63 6.854 -10.437 9.949 1.00 0.00 N ATOM 944 CA HIS A 63 5.697 -9.896 10.646 1.00 0.00 C ATOM 945 C HIS A 63 4.707 -9.309 9.655 1.00 0.00 C ATOM 946 O HIS A 63 5.099 -8.703 8.657 1.00 0.00 O ATOM 947 CB HIS A 63 6.116 -8.823 11.658 1.00 0.00 C ATOM 948 CG HIS A 63 6.839 -9.359 12.855 1.00 0.00 C ATOM 949 ND1 HIS A 63 6.195 -9.729 14.016 1.00 0.00 N ATOM 950 CD2 HIS A 63 8.157 -9.583 13.073 1.00 0.00 C ATOM 951 CE1 HIS A 63 7.083 -10.151 14.895 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.282 -10.075 14.349 1.00 0.00 N ATOM 0 H HIS A 63 7.372 -9.753 9.397 1.00 0.00 H new ATOM 0 HA HIS A 63 5.220 -10.714 11.186 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.755 -8.096 11.157 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.227 -8.288 11.993 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.961 -9.407 12.373 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.866 -10.500 15.894 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.158 -10.338 14.801 1.00 0.00 H new ATOM 961 N ASP A 64 3.427 -9.507 9.918 1.00 0.00 N ATOM 962 CA ASP A 64 2.384 -8.940 9.078 1.00 0.00 C ATOM 963 C ASP A 64 2.083 -7.512 9.514 1.00 0.00 C ATOM 964 O ASP A 64 1.956 -7.225 10.706 1.00 0.00 O ATOM 965 CB ASP A 64 1.111 -9.798 9.115 1.00 0.00 C ATOM 966 CG ASP A 64 0.429 -9.816 10.473 1.00 0.00 C ATOM 967 OD1 ASP A 64 0.877 -10.578 11.356 1.00 0.00 O ATOM 968 OD2 ASP A 64 -0.566 -9.081 10.657 1.00 0.00 O ATOM 0 H ASP A 64 3.084 -10.056 10.706 1.00 0.00 H new ATOM 0 HA ASP A 64 2.743 -8.927 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.409 -9.424 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.363 -10.820 8.831 1.00 0.00 H new ATOM 973 N TYR A 65 2.007 -6.617 8.544 1.00 0.00 N ATOM 974 CA TYR A 65 1.753 -5.212 8.815 1.00 0.00 C ATOM 975 C TYR A 65 0.563 -4.713 8.010 1.00 0.00 C ATOM 976 O TYR A 65 0.204 -5.289 6.979 1.00 0.00 O ATOM 977 CB TYR A 65 2.990 -4.365 8.508 1.00 0.00 C ATOM 978 CG TYR A 65 4.085 -4.484 9.548 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.106 -3.645 10.655 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.093 -5.431 9.423 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.101 -3.747 11.608 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.090 -5.540 10.374 1.00 0.00 C ATOM 983 CZ TYR A 65 6.089 -4.695 11.464 1.00 0.00 C ATOM 984 OH TYR A 65 7.083 -4.796 12.412 1.00 0.00 O ATOM 0 H TYR A 65 2.118 -6.840 7.555 1.00 0.00 H new ATOM 0 HA TYR A 65 1.521 -5.113 9.875 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.389 -4.660 7.538 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.692 -3.320 8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.332 -2.901 10.773 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.098 -6.093 8.569 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.104 -3.086 12.462 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.866 -6.283 10.264 1.00 0.00 H new ATOM 0 HH TYR A 65 6.949 -4.111 13.100 1.00 0.00 H new ATOM 994 N GLU A 66 -0.033 -3.637 8.494 1.00 0.00 N ATOM 995 CA GLU A 66 -1.218 -3.058 7.888 1.00 0.00 C ATOM 996 C GLU A 66 -0.835 -2.116 6.755 1.00 0.00 C ATOM 997 O GLU A 66 0.003 -1.226 6.932 1.00 0.00 O ATOM 998 CB GLU A 66 -2.007 -2.307 8.963 1.00 0.00 C ATOM 999 CG GLU A 66 -3.237 -1.577 8.454 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.935 -0.812 9.557 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -3.452 0.277 9.933 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -4.962 -1.302 10.067 1.00 0.00 O ATOM 0 H GLU A 66 0.293 -3.139 9.322 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.835 -3.852 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.314 -3.017 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.345 -1.585 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.948 -0.888 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.930 -2.295 8.015 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.434 -2.323 5.590 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.218 -1.436 4.460 1.00 0.00 C ATOM 1011 C VAL A 67 -2.041 -0.169 4.637 1.00 0.00 C ATOM 1012 O VAL A 67 -3.247 -0.153 4.386 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.581 -2.109 3.118 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.339 -1.158 1.952 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.788 -3.393 2.930 1.00 0.00 C ATOM 0 H VAL A 67 -2.072 -3.097 5.405 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.156 -1.191 4.431 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.642 -2.359 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.602 -1.654 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.955 -0.267 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.287 -0.872 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.058 -3.852 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.278 -3.166 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.015 -4.083 3.743 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.388 0.881 5.102 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.050 2.149 5.333 1.00 0.00 C ATOM 1027 C LYS A 68 -2.030 2.983 4.061 1.00 0.00 C ATOM 1028 O LYS A 68 -0.968 3.327 3.544 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.377 2.897 6.488 1.00 0.00 C ATOM 1030 CG LYS A 68 -1.435 2.148 7.810 1.00 0.00 C ATOM 1031 CD LYS A 68 -0.748 2.914 8.930 1.00 0.00 C ATOM 1032 CE LYS A 68 -0.906 2.190 10.262 1.00 0.00 C ATOM 1033 NZ LYS A 68 -0.317 2.944 11.406 1.00 0.00 N ATOM 0 H LYS A 68 -0.393 0.878 5.328 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.088 1.965 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.334 3.084 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.855 3.869 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.476 1.968 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.962 1.173 7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.311 3.032 8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.171 3.916 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.965 2.019 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.432 1.211 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.941 2.862 12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.618 2.550 11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.216 3.946 11.146 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.207 3.295 3.552 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.329 3.990 2.281 1.00 0.00 C ATOM 1049 C VAL A 69 -3.469 5.494 2.499 1.00 0.00 C ATOM 1050 O VAL A 69 -4.079 5.930 3.475 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.545 3.469 1.477 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.608 4.107 0.096 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.502 1.951 1.363 1.00 0.00 C ATOM 0 H VAL A 69 -4.097 3.078 4.000 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.421 3.794 1.711 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.448 3.751 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.473 3.721 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.698 5.188 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.699 3.869 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.365 1.604 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.587 1.650 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.523 1.511 2.360 1.00 0.00 H new ATOM 1063 N GLU A 70 -2.875 6.274 1.602 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.025 7.722 1.619 1.00 0.00 C ATOM 1065 C GLU A 70 -4.451 8.085 1.206 1.00 0.00 C ATOM 1066 O GLU A 70 -4.848 7.831 0.069 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.015 8.359 0.657 1.00 0.00 C ATOM 1068 CG GLU A 70 -2.033 9.879 0.642 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.476 10.487 1.912 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -2.254 10.711 2.859 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -0.257 10.756 1.960 1.00 0.00 O ATOM 0 H GLU A 70 -2.282 5.923 0.850 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.836 8.100 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.014 8.022 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.213 7.996 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.454 10.236 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.057 10.224 0.499 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.243 8.657 2.131 1.00 0.00 N ATOM 1079 CA PRO A 71 -6.650 8.991 1.882 1.00 0.00 C ATOM 1080 C PRO A 71 -6.834 9.885 0.660 1.00 0.00 C ATOM 1081 O PRO A 71 -6.251 10.970 0.572 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.088 9.727 3.157 1.00 0.00 C ATOM 1083 CG PRO A 71 -5.825 10.078 3.869 1.00 0.00 C ATOM 1084 CD PRO A 71 -4.830 9.024 3.492 1.00 0.00 C ATOM 0 HA PRO A 71 -7.239 8.099 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.664 10.621 2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.725 9.095 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.474 11.068 3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.979 10.101 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.809 9.405 3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.868 8.171 4.170 1.00 0.00 H new ATOM 1092 N ILE A 72 -7.653 9.423 -0.275 1.00 0.00 N ATOM 1093 CA ILE A 72 -7.897 10.149 -1.510 1.00 0.00 C ATOM 1094 C ILE A 72 -9.146 11.013 -1.366 1.00 0.00 C ATOM 1095 O ILE A 72 -10.236 10.499 -1.108 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.081 9.204 -2.728 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -6.927 8.201 -2.845 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.196 10.009 -4.011 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.112 6.947 -2.014 1.00 0.00 C ATOM 0 H ILE A 72 -8.162 8.542 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.018 10.768 -1.692 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.002 8.643 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.811 7.917 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.001 8.691 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.324 9.332 -4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.056 10.676 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.290 10.598 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.254 6.289 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.197 7.217 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.019 6.431 -2.330 1.00 0.00 H new ATOM 1111 N PRO A 73 -9.004 12.336 -1.521 1.00 0.00 N ATOM 1112 CA PRO A 73 -10.123 13.269 -1.379 1.00 0.00 C ATOM 1113 C PRO A 73 -11.210 13.045 -2.431 1.00 0.00 C ATOM 1114 O PRO A 73 -10.910 12.831 -3.608 1.00 0.00 O ATOM 1115 CB PRO A 73 -9.473 14.647 -1.555 1.00 0.00 C ATOM 1116 CG PRO A 73 -8.202 14.386 -2.288 1.00 0.00 C ATOM 1117 CD PRO A 73 -7.743 13.025 -1.848 1.00 0.00 C ATOM 0 HA PRO A 73 -10.631 13.147 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.121 15.320 -2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.282 15.119 -0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.360 14.415 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.454 15.144 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.195 12.510 -2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.080 13.083 -0.985 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.467 13.059 -1.977 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.651 12.928 -2.842 1.00 0.00 C ATOM 1127 C ASN A 74 -13.855 11.502 -3.364 1.00 0.00 C ATOM 1128 O ASN A 74 -14.990 11.053 -3.521 1.00 0.00 O ATOM 1129 CB ASN A 74 -13.602 13.928 -4.009 1.00 0.00 C ATOM 1130 CG ASN A 74 -14.695 13.687 -5.039 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -15.848 14.069 -4.839 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -14.329 13.089 -6.162 1.00 0.00 N ATOM 0 H ASN A 74 -12.697 13.163 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.511 13.162 -2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.695 14.941 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.629 13.863 -4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.013 12.930 -6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.363 12.788 -6.288 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.770 10.791 -3.613 1.00 0.00 N ATOM 1140 CA ILE A 75 -12.857 9.450 -4.172 1.00 0.00 C ATOM 1141 C ILE A 75 -13.090 8.410 -3.072 1.00 0.00 C ATOM 1142 O ILE A 75 -12.476 8.465 -2.005 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.579 9.107 -4.970 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.372 10.121 -6.101 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.655 7.698 -5.533 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -12.505 10.158 -7.108 1.00 0.00 C ATOM 0 H ILE A 75 -11.819 11.117 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.709 9.426 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.728 9.158 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.251 11.114 -5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.444 9.885 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.744 7.479 -6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.760 6.985 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.515 7.618 -6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.285 10.899 -7.876 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.613 9.177 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.433 10.425 -6.602 1.00 0.00 H new ATOM 1158 N LYS A 76 -13.999 7.480 -3.345 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.373 6.446 -2.386 1.00 0.00 C ATOM 1160 C LYS A 76 -13.614 5.151 -2.674 1.00 0.00 C ATOM 1161 O LYS A 76 -13.723 4.594 -3.763 1.00 0.00 O ATOM 1162 CB LYS A 76 -15.887 6.224 -2.475 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.437 5.151 -1.550 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.957 5.129 -1.611 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.556 4.036 -0.742 1.00 0.00 C ATOM 1166 NZ LYS A 76 -18.259 2.678 -1.266 1.00 0.00 N ATOM 0 H LYS A 76 -14.496 7.421 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.111 6.763 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.390 7.165 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.140 5.961 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.041 4.177 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.110 5.340 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.345 6.096 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.274 4.983 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.166 4.126 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.636 4.173 -0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.006 2.019 -0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.220 2.708 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.343 2.355 -0.894 1.00 0.00 H new ATOM 1180 N ILE A 77 -12.851 4.675 -1.700 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.018 3.493 -1.896 1.00 0.00 C ATOM 1182 C ILE A 77 -12.775 2.219 -1.515 1.00 0.00 C ATOM 1183 O ILE A 77 -13.307 2.094 -0.410 1.00 0.00 O ATOM 1184 CB ILE A 77 -10.686 3.592 -1.108 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -9.783 2.396 -1.425 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -10.938 3.690 0.391 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.416 2.481 -0.778 1.00 0.00 C ATOM 0 H ILE A 77 -12.790 5.086 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.772 3.444 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.178 4.504 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.276 1.482 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.660 2.320 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.985 3.758 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.533 4.578 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.476 2.804 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.831 1.601 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.903 3.377 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.528 2.526 0.305 1.00 0.00 H new ATOM 1199 N VAL A 78 -12.834 1.280 -2.450 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.607 0.056 -2.270 1.00 0.00 C ATOM 1201 C VAL A 78 -12.713 -1.113 -1.884 1.00 0.00 C ATOM 1202 O VAL A 78 -12.914 -1.753 -0.852 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.362 -0.317 -3.561 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.271 -1.515 -3.334 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.145 0.869 -4.088 1.00 0.00 C ATOM 0 H VAL A 78 -12.353 1.343 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.319 0.250 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.626 -0.596 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.792 -1.757 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.674 -2.371 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.000 -1.277 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.670 0.583 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.868 1.190 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.461 1.689 -4.306 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.724 -1.380 -2.722 1.00 0.00 N ATOM 1216 CA GLU A 79 -10.881 -2.556 -2.562 1.00 0.00 C ATOM 1217 C GLU A 79 -9.482 -2.169 -2.126 1.00 0.00 C ATOM 1218 O GLU A 79 -8.934 -1.177 -2.599 1.00 0.00 O ATOM 1219 CB GLU A 79 -10.794 -3.335 -3.878 1.00 0.00 C ATOM 1220 CG GLU A 79 -12.107 -3.956 -4.321 1.00 0.00 C ATOM 1221 CD GLU A 79 -12.629 -4.977 -3.334 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -11.906 -5.953 -3.040 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -13.770 -4.817 -2.859 1.00 0.00 O ATOM 0 H GLU A 79 -11.484 -0.796 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.333 -3.182 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.439 -2.665 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.049 -4.124 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.851 -3.170 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.971 -4.431 -5.292 1.00 0.00 H new ATOM 1230 N ILE A 80 -8.924 -2.945 -1.211 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.531 -2.802 -0.822 1.00 0.00 C ATOM 1232 C ILE A 80 -6.852 -4.165 -0.896 1.00 0.00 C ATOM 1233 O ILE A 80 -6.991 -4.985 0.015 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.381 -2.234 0.609 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.194 -0.945 0.768 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -5.913 -1.973 0.919 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.177 -0.381 2.174 1.00 0.00 C ATOM 0 H ILE A 80 -9.421 -3.688 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.062 -2.097 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.765 -2.971 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.805 -0.194 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.226 -1.139 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.820 -1.573 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.354 -2.906 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.513 -1.253 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.774 0.530 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.594 -1.114 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.151 -0.154 2.462 1.00 0.00 H new ATOM 1249 N SER A 81 -6.163 -4.421 -1.999 1.00 0.00 N ATOM 1250 CA SER A 81 -5.526 -5.712 -2.218 1.00 0.00 C ATOM 1251 C SER A 81 -4.045 -5.547 -2.562 1.00 0.00 C ATOM 1252 O SER A 81 -3.705 -5.034 -3.630 1.00 0.00 O ATOM 1253 CB SER A 81 -6.236 -6.446 -3.354 1.00 0.00 C ATOM 1254 OG SER A 81 -7.645 -6.385 -3.202 1.00 0.00 O ATOM 0 H SER A 81 -6.031 -3.751 -2.757 1.00 0.00 H new ATOM 0 HA SER A 81 -5.600 -6.290 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.951 -6.005 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.914 -7.487 -3.375 1.00 0.00 H new ATOM 0 HG SER A 81 -8.075 -6.861 -3.943 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.140 -5.989 -1.676 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.488 -6.625 -0.411 1.00 0.00 C ATOM 1262 C PRO A 82 -3.746 -5.611 0.696 1.00 0.00 C ATOM 1263 O PRO A 82 -3.504 -4.414 0.533 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.250 -7.475 -0.078 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.223 -7.157 -1.127 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.691 -5.919 -1.840 1.00 0.00 C ATOM 0 HA PRO A 82 -4.408 -7.203 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.874 -7.240 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.495 -8.537 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.246 -6.994 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.116 -7.987 -1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.276 -5.014 -1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.401 -5.922 -2.891 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.233 -6.102 1.821 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.570 -5.254 2.950 1.00 0.00 C ATOM 1276 C ARG A 83 -3.599 -5.500 4.092 1.00 0.00 C ATOM 1277 O ARG A 83 -3.252 -4.587 4.845 1.00 0.00 O ATOM 1278 CB ARG A 83 -5.996 -5.555 3.391 1.00 0.00 C ATOM 1279 CG ARG A 83 -6.836 -4.319 3.640 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.304 -4.682 3.727 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.756 -5.401 2.532 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.687 -6.355 2.550 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.204 -6.762 3.702 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.088 -6.917 1.418 1.00 0.00 N ATOM 0 H ARG A 83 -4.405 -7.095 1.978 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.498 -4.207 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.481 -6.164 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.966 -6.151 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.519 -3.838 4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.681 -3.599 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.475 -5.299 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.896 -3.776 3.852 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.334 -5.157 1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.889 -6.345 4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.916 -7.492 3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.684 -6.620 0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.801 -7.647 1.435 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.166 -6.745 4.213 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.184 -7.129 5.210 1.00 0.00 C ATOM 1300 C VAL A 84 -1.002 -7.801 4.529 1.00 0.00 C ATOM 1301 O VAL A 84 -1.151 -8.848 3.898 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.783 -8.086 6.262 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.751 -8.446 7.318 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -4.018 -7.476 6.908 1.00 0.00 C ATOM 0 H VAL A 84 -3.485 -7.514 3.624 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.858 -6.225 5.724 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.081 -9.001 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.198 -9.121 8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.900 -8.935 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.414 -7.540 7.821 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.422 -8.169 7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.748 -6.541 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.770 -7.281 6.143 1.00 0.00 H new ATOM 1314 N VAL A 85 0.167 -7.194 4.640 1.00 0.00 N ATOM 1315 CA VAL A 85 1.356 -7.722 3.991 1.00 0.00 C ATOM 1316 C VAL A 85 2.314 -8.312 5.013 1.00 0.00 C ATOM 1317 O VAL A 85 2.407 -7.834 6.141 1.00 0.00 O ATOM 1318 CB VAL A 85 2.090 -6.644 3.161 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.256 -6.236 1.957 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.422 -5.428 4.018 1.00 0.00 C ATOM 0 H VAL A 85 0.319 -6.337 5.172 1.00 0.00 H new ATOM 0 HA VAL A 85 1.021 -8.506 3.312 1.00 0.00 H new ATOM 0 HB VAL A 85 3.026 -7.073 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.789 -5.477 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.078 -7.107 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.302 -5.832 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.938 -4.685 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.501 -4.999 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.065 -5.730 4.845 1.00 0.00 H new ATOM 1330 N THR A 86 3.016 -9.359 4.617 1.00 0.00 N ATOM 1331 CA THR A 86 3.992 -9.985 5.486 1.00 0.00 C ATOM 1332 C THR A 86 5.385 -9.472 5.144 1.00 0.00 C ATOM 1333 O THR A 86 5.929 -9.778 4.082 1.00 0.00 O ATOM 1334 CB THR A 86 3.955 -11.519 5.352 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.611 -11.983 5.540 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.869 -12.177 6.376 1.00 0.00 C ATOM 0 H THR A 86 2.927 -9.793 3.698 1.00 0.00 H new ATOM 0 HA THR A 86 3.747 -9.728 6.517 1.00 0.00 H new ATOM 0 HB THR A 86 4.305 -11.788 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.587 -12.959 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.825 -13.260 6.260 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.893 -11.837 6.221 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.545 -11.906 7.381 1.00 0.00 H new ATOM 1344 N LEU A 87 5.939 -8.667 6.033 1.00 0.00 N ATOM 1345 CA LEU A 87 7.237 -8.066 5.800 1.00 0.00 C ATOM 1346 C LEU A 87 8.306 -8.788 6.602 1.00 0.00 C ATOM 1347 O LEU A 87 8.208 -8.905 7.825 1.00 0.00 O ATOM 1348 CB LEU A 87 7.216 -6.580 6.172 1.00 0.00 C ATOM 1349 CG LEU A 87 6.211 -5.728 5.393 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.288 -4.276 5.841 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.457 -5.839 3.895 1.00 0.00 C ATOM 0 H LEU A 87 5.509 -8.415 6.923 1.00 0.00 H new ATOM 0 HA LEU A 87 7.471 -8.157 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.996 -6.491 7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.214 -6.169 6.017 1.00 0.00 H new ATOM 0 HG LEU A 87 5.209 -6.103 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.567 -3.683 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.059 -4.211 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.293 -3.893 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.731 -5.226 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.465 -5.492 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.351 -6.879 3.585 1.00 0.00 H new ATOM 1363 N GLN A 88 9.309 -9.291 5.904 1.00 0.00 N ATOM 1364 CA GLN A 88 10.438 -9.926 6.555 1.00 0.00 C ATOM 1365 C GLN A 88 11.454 -8.858 6.937 1.00 0.00 C ATOM 1366 O GLN A 88 12.261 -8.422 6.112 1.00 0.00 O ATOM 1367 CB GLN A 88 11.067 -10.962 5.621 1.00 0.00 C ATOM 1368 CG GLN A 88 12.119 -11.834 6.284 1.00 0.00 C ATOM 1369 CD GLN A 88 12.731 -12.827 5.316 1.00 0.00 C ATOM 1370 OE1 GLN A 88 12.852 -12.556 4.122 1.00 0.00 O ATOM 1371 NE2 GLN A 88 13.101 -13.993 5.819 1.00 0.00 N ATOM 0 H GLN A 88 9.363 -9.271 4.886 1.00 0.00 H new ATOM 0 HA GLN A 88 10.104 -10.441 7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.280 -11.601 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.519 -10.446 4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.904 -11.202 6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.669 -12.372 7.118 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.984 -14.179 6.815 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.503 -14.706 5.211 1.00 0.00 H new ATOM 1380 N LEU A 89 11.375 -8.404 8.177 1.00 0.00 N ATOM 1381 CA LEU A 89 12.226 -7.324 8.641 1.00 0.00 C ATOM 1382 C LEU A 89 13.516 -7.849 9.233 1.00 0.00 C ATOM 1383 O LEU A 89 13.513 -8.725 10.097 1.00 0.00 O ATOM 1384 CB LEU A 89 11.502 -6.469 9.682 1.00 0.00 C ATOM 1385 CG LEU A 89 10.320 -5.665 9.151 1.00 0.00 C ATOM 1386 CD1 LEU A 89 9.689 -4.853 10.267 1.00 0.00 C ATOM 1387 CD2 LEU A 89 10.761 -4.755 8.021 1.00 0.00 C ATOM 0 H LEU A 89 10.730 -8.767 8.879 1.00 0.00 H new ATOM 0 HA LEU A 89 12.465 -6.710 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.149 -7.120 10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.220 -5.780 10.126 1.00 0.00 H new ATOM 0 HG LEU A 89 9.576 -6.361 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.847 -4.285 9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.338 -5.524 11.051 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.428 -4.167 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.905 -4.189 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.523 -4.066 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.173 -5.355 7.210 1.00 0.00 H new ATOM 1399 N GLU A 90 14.616 -7.307 8.760 1.00 0.00 N ATOM 1400 CA GLU A 90 15.912 -7.607 9.331 1.00 0.00 C ATOM 1401 C GLU A 90 16.358 -6.450 10.206 1.00 0.00 C ATOM 1402 O GLU A 90 16.458 -5.312 9.743 1.00 0.00 O ATOM 1403 CB GLU A 90 16.962 -7.858 8.244 1.00 0.00 C ATOM 1404 CG GLU A 90 18.345 -8.136 8.817 1.00 0.00 C ATOM 1405 CD GLU A 90 19.424 -8.250 7.759 1.00 0.00 C ATOM 1406 OE1 GLU A 90 20.030 -7.216 7.411 1.00 0.00 O ATOM 1407 OE2 GLU A 90 19.695 -9.377 7.299 1.00 0.00 O ATOM 0 H GLU A 90 14.640 -6.653 7.978 1.00 0.00 H new ATOM 0 HA GLU A 90 15.817 -8.516 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.650 -8.704 7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.013 -6.990 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.610 -7.338 9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.312 -9.061 9.393 1.00 0.00 H new ATOM 1414 N HIS A 91 16.591 -6.728 11.476 1.00 0.00 N ATOM 1415 CA HIS A 91 17.162 -5.732 12.361 1.00 0.00 C ATOM 1416 C HIS A 91 18.626 -5.556 11.993 1.00 0.00 C ATOM 1417 O HIS A 91 19.427 -6.472 12.186 1.00 0.00 O ATOM 1418 CB HIS A 91 17.015 -6.158 13.828 1.00 0.00 C ATOM 1419 CG HIS A 91 17.408 -5.102 14.823 1.00 0.00 C ATOM 1420 ND1 HIS A 91 16.496 -4.258 15.419 1.00 0.00 N ATOM 1421 CD2 HIS A 91 18.615 -4.777 15.349 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.124 -3.465 16.267 1.00 0.00 C ATOM 1423 NE2 HIS A 91 18.410 -3.756 16.247 1.00 0.00 N ATOM 0 H HIS A 91 16.395 -7.628 11.914 1.00 0.00 H new ATOM 0 HA HIS A 91 16.634 -4.785 12.246 1.00 0.00 H new ATOM 0 HB2 HIS A 91 15.979 -6.443 14.009 1.00 0.00 H new ATOM 0 HB3 HIS A 91 17.624 -7.046 13.999 1.00 0.00 H new ATOM 0 HD1 HIS A 91 15.493 -4.248 15.234 1.00 0.00 H new ATOM 0 HD2 HIS A 91 19.562 -5.236 15.107 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.661 -2.703 16.877 1.00 0.00 H new ATOM 1432 N HIS A 92 18.948 -4.396 11.426 1.00 0.00 N ATOM 1433 CA HIS A 92 20.299 -4.112 10.947 1.00 0.00 C ATOM 1434 C HIS A 92 21.329 -4.455 12.003 1.00 0.00 C ATOM 1435 O HIS A 92 21.358 -3.854 13.074 1.00 0.00 O ATOM 1436 CB HIS A 92 20.441 -2.647 10.529 1.00 0.00 C ATOM 1437 CG HIS A 92 20.154 -2.406 9.080 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.097 -2.581 8.094 1.00 0.00 N ATOM 1439 CD2 HIS A 92 19.028 -1.994 8.449 1.00 0.00 C ATOM 1440 CE1 HIS A 92 20.569 -2.287 6.922 1.00 0.00 C ATOM 1441 NE2 HIS A 92 19.314 -1.928 7.107 1.00 0.00 N ATOM 0 H HIS A 92 18.287 -3.632 11.286 1.00 0.00 H new ATOM 0 HA HIS A 92 20.476 -4.737 10.072 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.765 -2.039 11.130 1.00 0.00 H new ATOM 0 HB3 HIS A 92 21.454 -2.311 10.751 1.00 0.00 H new ATOM 0 HD1 HIS A 92 22.057 -2.891 8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 92 18.082 -1.761 8.914 1.00 0.00 H new ATOM 0 HE1 HIS A 92 21.079 -2.333 5.971 1.00 0.00 H new ATOM 1450 N HIS A 93 22.178 -5.417 11.676 1.00 0.00 N ATOM 1451 CA HIS A 93 23.123 -5.980 12.631 1.00 0.00 C ATOM 1452 C HIS A 93 24.262 -5.016 12.933 1.00 0.00 C ATOM 1453 O HIS A 93 25.076 -5.265 13.819 1.00 0.00 O ATOM 1454 CB HIS A 93 23.661 -7.313 12.114 1.00 0.00 C ATOM 1455 CG HIS A 93 22.606 -8.374 12.023 1.00 0.00 C ATOM 1456 ND1 HIS A 93 22.062 -8.799 10.830 1.00 0.00 N ATOM 1457 CD2 HIS A 93 21.986 -9.088 12.992 1.00 0.00 C ATOM 1458 CE1 HIS A 93 21.153 -9.724 11.071 1.00 0.00 C ATOM 1459 NE2 HIS A 93 21.088 -9.921 12.374 1.00 0.00 N ATOM 0 H HIS A 93 22.232 -5.829 10.745 1.00 0.00 H new ATOM 0 HA HIS A 93 22.592 -6.153 13.567 1.00 0.00 H new ATOM 0 HB2 HIS A 93 24.103 -7.163 11.129 1.00 0.00 H new ATOM 0 HB3 HIS A 93 24.459 -7.657 12.773 1.00 0.00 H new ATOM 0 HD2 HIS A 93 22.165 -9.015 14.055 1.00 0.00 H new ATOM 0 HE1 HIS A 93 20.561 -10.235 10.326 1.00 0.00 H new ATOM 0 HE2 HIS A 93 20.472 -10.584 12.844 1.00 0.00 H new ATOM 1468 N HIS A 94 24.316 -3.909 12.199 1.00 0.00 N ATOM 1469 CA HIS A 94 25.251 -2.840 12.520 1.00 0.00 C ATOM 1470 C HIS A 94 24.724 -2.063 13.725 1.00 0.00 C ATOM 1471 O HIS A 94 25.406 -1.208 14.288 1.00 0.00 O ATOM 1472 CB HIS A 94 25.451 -1.912 11.317 1.00 0.00 C ATOM 1473 CG HIS A 94 26.540 -0.903 11.517 1.00 0.00 C ATOM 1474 ND1 HIS A 94 27.864 -1.249 11.672 1.00 0.00 N ATOM 1475 CD2 HIS A 94 26.492 0.446 11.608 1.00 0.00 C ATOM 1476 CE1 HIS A 94 28.583 -0.159 11.851 1.00 0.00 C ATOM 1477 NE2 HIS A 94 27.775 0.883 11.815 1.00 0.00 N ATOM 0 H HIS A 94 23.728 -3.731 11.385 1.00 0.00 H new ATOM 0 HA HIS A 94 26.222 -3.271 12.766 1.00 0.00 H new ATOM 0 HB2 HIS A 94 25.681 -2.514 10.438 1.00 0.00 H new ATOM 0 HB3 HIS A 94 24.516 -1.390 11.111 1.00 0.00 H new ATOM 0 HD2 HIS A 94 25.609 1.063 11.532 1.00 0.00 H new ATOM 0 HE1 HIS A 94 29.652 -0.125 12.002 1.00 0.00 H new ATOM 0 HE2 HIS A 94 28.059 1.857 11.924 1.00 0.00 H new ATOM 1486 N HIS A 95 23.488 -2.369 14.096 1.00 0.00 N ATOM 1487 CA HIS A 95 22.870 -1.836 15.297 1.00 0.00 C ATOM 1488 C HIS A 95 22.526 -2.998 16.221 1.00 0.00 C ATOM 1489 O HIS A 95 22.452 -4.141 15.775 1.00 0.00 O ATOM 1490 CB HIS A 95 21.602 -1.041 14.957 1.00 0.00 C ATOM 1491 CG HIS A 95 21.857 0.275 14.281 1.00 0.00 C ATOM 1492 ND1 HIS A 95 21.446 1.479 14.808 1.00 0.00 N ATOM 1493 CD2 HIS A 95 22.465 0.571 13.106 1.00 0.00 C ATOM 1494 CE1 HIS A 95 21.790 2.457 13.991 1.00 0.00 C ATOM 1495 NE2 HIS A 95 22.411 1.935 12.950 1.00 0.00 N ATOM 0 H HIS A 95 22.884 -2.998 13.567 1.00 0.00 H new ATOM 0 HA HIS A 95 23.566 -1.156 15.789 1.00 0.00 H new ATOM 0 HB2 HIS A 95 20.968 -1.650 14.312 1.00 0.00 H new ATOM 0 HB3 HIS A 95 21.043 -0.861 15.876 1.00 0.00 H new ATOM 0 HD2 HIS A 95 22.909 -0.135 12.420 1.00 0.00 H new ATOM 0 HE1 HIS A 95 21.596 3.508 14.148 1.00 0.00 H new ATOM 0 HE2 HIS A 95 22.789 2.458 12.160 1.00 0.00 H new ATOM 1504 N HIS A 96 22.316 -2.717 17.493 1.00 0.00 N ATOM 1505 CA HIS A 96 22.019 -3.771 18.452 1.00 0.00 C ATOM 1506 C HIS A 96 20.520 -3.960 18.593 1.00 0.00 C ATOM 1507 O HIS A 96 20.062 -5.117 18.555 1.00 0.00 O ATOM 1508 CB HIS A 96 22.654 -3.477 19.811 1.00 0.00 C ATOM 1509 CG HIS A 96 24.147 -3.575 19.800 1.00 0.00 C ATOM 1510 ND1 HIS A 96 24.956 -2.813 20.611 1.00 0.00 N ATOM 1511 CD2 HIS A 96 24.980 -4.357 19.072 1.00 0.00 C ATOM 1512 CE1 HIS A 96 26.219 -3.119 20.382 1.00 0.00 C ATOM 1513 NE2 HIS A 96 26.262 -4.054 19.453 1.00 0.00 N ATOM 1514 OXT HIS A 96 19.797 -2.949 18.692 1.00 0.00 O ATOM 0 H HIS A 96 22.344 -1.777 17.887 1.00 0.00 H new ATOM 0 HA HIS A 96 22.450 -4.698 18.074 1.00 0.00 H new ATOM 0 HB2 HIS A 96 22.365 -2.476 20.130 1.00 0.00 H new ATOM 0 HB3 HIS A 96 22.256 -4.174 20.549 1.00 0.00 H new ATOM 0 HD2 HIS A 96 24.688 -5.085 18.329 1.00 0.00 H new ATOM 0 HE1 HIS A 96 27.074 -2.678 20.873 1.00 0.00 H new ATOM 0 HE2 HIS A 96 27.109 -4.481 19.079 1.00 0.00 H new TER 1523 HIS A 96