USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 950 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 934 GLN : amide:sc= 0.303 X(o=1.6,f=1.1) USER MOD Set 1.2: A 935 THR OG1 : rot 89:sc= 1.26 USER MOD Set 2.1: A 921 SER OG : rot 128:sc= 1.31 USER MOD Set 2.2: A 939 TYR OH : rot 13:sc= 2.27 USER MOD Set 3.1: A 874 SER OG : rot -130:sc= -0.101 USER MOD Set 3.2: A 887 THR OG1 : rot 98:sc= 1.04 USER MOD Set 3.3: A 919 MET CE :methyl 160:sc= -1.12 (180deg=-0.573) USER MOD Set 4.1: A 836 ASN :FLIP amide:sc= -0.289 F(o=-4.4,f=-0.47) USER MOD Set 4.2: A 925 LYS NZ :NH3+ 136:sc= -0.178 (180deg=-4.14!) USER MOD Single : A 825 MET CE :methyl 166:sc= -3.33! (180deg=-3.96!) USER MOD Single : A 826 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 833 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.17) USER MOD Single : A 843 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 846 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 849 TYR OH : rot 180:sc= 0 USER MOD Single : A 850 GLN : amide:sc=-0.00159 X(o=-0.0016,f=-0.2) USER MOD Single : A 851 CYS SG : rot -30:sc= 1.05 USER MOD Single : A 852 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 853 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 855 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.9) USER MOD Single : A 862 ASN : amide:sc= 0.597 K(o=0.6,f=0) USER MOD Single : A 865 SER OG : rot -70:sc= 0.985 USER MOD Single : A 866 LYS NZ :NH3+ -151:sc= -0.0927 (180deg=-0.618) USER MOD Single : A 867 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 868 HIS : no HD1:sc= 0.409 K(o=0.41,f=-3!) USER MOD Single : A 884 TYR OH : rot 180:sc= 0 USER MOD Single : A 888 GLN : amide:sc= 0.147 K(o=0.15,f=-0.39) USER MOD Single : A 892 GLN :FLIP amide:sc= -0.525 F(o=-2.7!,f=-0.52) USER MOD Single : A 896 THR OG1 : rot 180:sc=0.000215 USER MOD Single : A 903 THR OG1 : rot 87:sc= 1.36 USER MOD Single : A 905 ASN : amide:sc= 0.803 K(o=0.8,f=-7.6!) USER MOD Single : A 911 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 912 GLN : amide:sc= -0.744 K(o=-0.74,f=-1.9!) USER MOD Single : A 914 CYS SG : rot 70:sc= 1.28 USER MOD Single : A 917 SER OG : rot -88:sc= 1.23 USER MOD Single : A 922 CYS SG : rot 120:sc= -3.06! USER MOD Single : A 924 SER OG : rot 180:sc= 0 USER MOD Single : A 928 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 933 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.236) USER MOD Single : A 937 THR OG1 : rot 83:sc= 0.78 USER MOD Single : A 945 LYS NZ :NH3+ 163:sc= 1.34 (180deg=0.411) USER MOD Single : A 946 SER OG : rot 72:sc= 0.772 USER MOD ----------------------------------------------------------------- ATOM 112 N MET A 825 -9.526 -8.277 -22.009 1.00 0.74 N ATOM 113 CA MET A 825 -10.113 -8.766 -23.244 1.00 0.64 C ATOM 114 C MET A 825 -9.755 -10.226 -23.465 1.00 0.57 C ATOM 115 O MET A 825 -8.700 -10.541 -24.019 1.00 0.64 O ATOM 116 CB MET A 825 -9.635 -7.927 -24.430 1.00 0.76 C ATOM 117 CG MET A 825 -10.659 -6.910 -24.911 1.00 0.93 C ATOM 118 SD MET A 825 -11.978 -7.654 -25.891 1.00 1.60 S ATOM 119 CE MET A 825 -13.242 -7.885 -24.642 1.00 1.90 C ATOM 0 HA MET A 825 -11.197 -8.680 -23.164 1.00 0.64 H new ATOM 0 HB2 MET A 825 -8.721 -7.404 -24.149 1.00 0.76 H new ATOM 0 HB3 MET A 825 -9.381 -8.592 -25.255 1.00 0.76 H new ATOM 0 HG2 MET A 825 -11.094 -6.404 -24.049 1.00 0.93 H new ATOM 0 HG3 MET A 825 -10.156 -6.148 -25.507 1.00 0.93 H new ATOM 0 HE1 MET A 825 -14.195 -8.100 -25.125 1.00 1.90 H new ATOM 0 HE2 MET A 825 -12.967 -8.718 -23.995 1.00 1.90 H new ATOM 0 HE3 MET A 825 -13.334 -6.978 -24.045 1.00 1.90 H new ATOM 129 N MET A 826 -10.627 -11.113 -23.011 1.00 0.51 N ATOM 130 CA MET A 826 -10.432 -12.538 -23.211 1.00 0.49 C ATOM 131 C MET A 826 -11.058 -12.972 -24.527 1.00 0.43 C ATOM 132 O MET A 826 -12.272 -12.857 -24.721 1.00 0.50 O ATOM 133 CB MET A 826 -11.029 -13.336 -22.051 1.00 0.60 C ATOM 134 CG MET A 826 -10.341 -14.673 -21.825 1.00 1.14 C ATOM 135 SD MET A 826 -11.112 -15.646 -20.518 1.00 1.62 S ATOM 136 CE MET A 826 -10.409 -14.865 -19.066 1.00 1.93 C ATOM 0 H MET A 826 -11.476 -10.870 -22.502 1.00 0.51 H new ATOM 0 HA MET A 826 -9.361 -12.737 -23.246 1.00 0.49 H new ATOM 0 HB2 MET A 826 -10.964 -12.743 -21.139 1.00 0.60 H new ATOM 0 HB3 MET A 826 -12.088 -13.508 -22.244 1.00 0.60 H new ATOM 0 HG2 MET A 826 -10.355 -15.245 -22.753 1.00 1.14 H new ATOM 0 HG3 MET A 826 -9.295 -14.500 -21.573 1.00 1.14 H new ATOM 0 HE1 MET A 826 -10.789 -15.355 -18.169 1.00 1.93 H new ATOM 0 HE2 MET A 826 -9.323 -14.953 -19.095 1.00 1.93 H new ATOM 0 HE3 MET A 826 -10.687 -13.811 -19.049 1.00 1.93 H new ATOM 146 N ILE A 827 -10.223 -13.456 -25.431 1.00 0.36 N ATOM 147 CA ILE A 827 -10.665 -13.889 -26.747 1.00 0.34 C ATOM 148 C ILE A 827 -10.541 -15.404 -26.873 1.00 0.34 C ATOM 149 O ILE A 827 -9.547 -15.994 -26.442 1.00 0.37 O ATOM 150 CB ILE A 827 -9.841 -13.219 -27.872 1.00 0.35 C ATOM 151 CG1 ILE A 827 -9.387 -11.809 -27.458 1.00 0.37 C ATOM 152 CG2 ILE A 827 -10.641 -13.172 -29.164 1.00 0.43 C ATOM 153 CD1 ILE A 827 -10.475 -10.756 -27.535 1.00 0.47 C ATOM 0 H ILE A 827 -9.221 -13.560 -25.274 1.00 0.36 H new ATOM 0 HA ILE A 827 -11.708 -13.591 -26.855 1.00 0.34 H new ATOM 0 HB ILE A 827 -8.948 -13.821 -28.043 1.00 0.35 H new ATOM 0 HG12 ILE A 827 -9.006 -11.848 -26.437 1.00 0.37 H new ATOM 0 HG13 ILE A 827 -8.557 -11.505 -28.096 1.00 0.37 H new ATOM 0 HG21 ILE A 827 -10.045 -12.697 -29.944 1.00 0.43 H new ATOM 0 HG22 ILE A 827 -10.898 -14.186 -29.470 1.00 0.43 H new ATOM 0 HG23 ILE A 827 -11.554 -12.599 -29.006 1.00 0.43 H new ATOM 0 HD11 ILE A 827 -10.071 -9.792 -27.227 1.00 0.47 H new ATOM 0 HD12 ILE A 827 -10.841 -10.685 -28.559 1.00 0.47 H new ATOM 0 HD13 ILE A 827 -11.297 -11.033 -26.875 1.00 0.47 H new ATOM 165 N LEU A 828 -11.557 -16.029 -27.447 1.00 0.34 N ATOM 166 CA LEU A 828 -11.573 -17.475 -27.605 1.00 0.35 C ATOM 167 C LEU A 828 -11.299 -17.855 -29.050 1.00 0.36 C ATOM 168 O LEU A 828 -12.054 -17.490 -29.947 1.00 0.40 O ATOM 169 CB LEU A 828 -12.924 -18.037 -27.165 1.00 0.44 C ATOM 170 CG LEU A 828 -13.092 -19.548 -27.327 1.00 0.62 C ATOM 171 CD1 LEU A 828 -12.365 -20.291 -26.218 1.00 1.37 C ATOM 172 CD2 LEU A 828 -14.566 -19.915 -27.337 1.00 1.16 C ATOM 0 H LEU A 828 -12.384 -15.556 -27.812 1.00 0.34 H new ATOM 0 HA LEU A 828 -10.790 -17.900 -26.978 1.00 0.35 H new ATOM 0 HB2 LEU A 828 -13.080 -17.782 -26.117 1.00 0.44 H new ATOM 0 HB3 LEU A 828 -13.708 -17.539 -27.735 1.00 0.44 H new ATOM 0 HG LEU A 828 -12.653 -19.844 -28.280 1.00 0.62 H new ATOM 0 HD11 LEU A 828 -12.497 -21.365 -26.352 1.00 1.37 H new ATOM 0 HD12 LEU A 828 -11.303 -20.049 -26.253 1.00 1.37 H new ATOM 0 HD13 LEU A 828 -12.773 -19.993 -25.252 1.00 1.37 H new ATOM 0 HD21 LEU A 828 -14.672 -20.994 -27.453 1.00 1.16 H new ATOM 0 HD22 LEU A 828 -15.025 -19.604 -26.398 1.00 1.16 H new ATOM 0 HD23 LEU A 828 -15.061 -19.411 -28.167 1.00 1.16 H new ATOM 184 N VAL A 829 -10.224 -18.593 -29.266 1.00 0.39 N ATOM 185 CA VAL A 829 -9.852 -19.028 -30.601 1.00 0.44 C ATOM 186 C VAL A 829 -10.195 -20.510 -30.789 1.00 0.43 C ATOM 187 O VAL A 829 -9.494 -21.401 -30.301 1.00 0.43 O ATOM 188 CB VAL A 829 -8.349 -18.771 -30.891 1.00 0.52 C ATOM 189 CG1 VAL A 829 -8.102 -17.287 -31.121 1.00 0.97 C ATOM 190 CG2 VAL A 829 -7.467 -19.281 -29.758 1.00 1.06 C ATOM 0 H VAL A 829 -9.591 -18.905 -28.530 1.00 0.39 H new ATOM 0 HA VAL A 829 -10.425 -18.439 -31.317 1.00 0.44 H new ATOM 0 HB VAL A 829 -8.086 -19.321 -31.794 1.00 0.52 H new ATOM 0 HG11 VAL A 829 -7.044 -17.121 -31.323 1.00 0.97 H new ATOM 0 HG12 VAL A 829 -8.692 -16.948 -31.973 1.00 0.97 H new ATOM 0 HG13 VAL A 829 -8.393 -16.728 -30.232 1.00 0.97 H new ATOM 0 HG21 VAL A 829 -6.421 -19.085 -29.994 1.00 1.06 H new ATOM 0 HG22 VAL A 829 -7.732 -18.770 -28.832 1.00 1.06 H new ATOM 0 HG23 VAL A 829 -7.616 -20.354 -29.636 1.00 1.06 H new ATOM 200 N VAL A 830 -11.300 -20.760 -31.479 1.00 0.46 N ATOM 201 CA VAL A 830 -11.826 -22.113 -31.636 1.00 0.50 C ATOM 202 C VAL A 830 -11.657 -22.615 -33.064 1.00 0.61 C ATOM 203 O VAL A 830 -12.577 -22.513 -33.866 1.00 1.07 O ATOM 204 CB VAL A 830 -13.327 -22.182 -31.281 1.00 0.53 C ATOM 205 CG1 VAL A 830 -13.589 -23.294 -30.287 1.00 0.97 C ATOM 206 CG2 VAL A 830 -13.832 -20.853 -30.738 1.00 0.80 C ATOM 0 H VAL A 830 -11.854 -20.039 -31.942 1.00 0.46 H new ATOM 0 HA VAL A 830 -11.256 -22.742 -30.953 1.00 0.50 H new ATOM 0 HB VAL A 830 -13.875 -22.397 -32.199 1.00 0.53 H new ATOM 0 HG11 VAL A 830 -14.652 -23.327 -30.049 1.00 0.97 H new ATOM 0 HG12 VAL A 830 -13.284 -24.247 -30.719 1.00 0.97 H new ATOM 0 HG13 VAL A 830 -13.019 -23.110 -29.376 1.00 0.97 H new ATOM 0 HG21 VAL A 830 -14.892 -20.937 -30.498 1.00 0.80 H new ATOM 0 HG22 VAL A 830 -13.276 -20.593 -29.837 1.00 0.80 H new ATOM 0 HG23 VAL A 830 -13.690 -20.076 -31.489 1.00 0.80 H new ATOM 216 N ASP A 831 -10.501 -23.184 -33.367 1.00 0.36 N ATOM 217 CA ASP A 831 -10.209 -23.625 -34.734 1.00 0.37 C ATOM 218 C ASP A 831 -10.238 -25.148 -34.834 1.00 0.42 C ATOM 219 O ASP A 831 -9.841 -25.845 -33.900 1.00 0.52 O ATOM 220 CB ASP A 831 -8.853 -23.077 -35.192 1.00 0.44 C ATOM 221 CG ASP A 831 -8.118 -24.014 -36.128 1.00 0.64 C ATOM 222 OD1 ASP A 831 -8.518 -24.097 -37.303 1.00 1.27 O ATOM 223 OD2 ASP A 831 -7.129 -24.667 -35.695 1.00 1.30 O ATOM 0 H ASP A 831 -9.752 -23.353 -32.696 1.00 0.36 H new ATOM 0 HA ASP A 831 -10.982 -23.231 -35.393 1.00 0.37 H new ATOM 0 HB2 ASP A 831 -9.005 -22.120 -35.691 1.00 0.44 H new ATOM 0 HB3 ASP A 831 -8.231 -22.885 -34.317 1.00 0.44 H new ATOM 228 N ASP A 832 -10.717 -25.661 -35.965 1.00 0.48 N ATOM 229 CA ASP A 832 -10.851 -27.110 -36.150 1.00 0.61 C ATOM 230 C ASP A 832 -9.607 -27.744 -36.788 1.00 0.66 C ATOM 231 O ASP A 832 -9.490 -28.970 -36.833 1.00 0.98 O ATOM 232 CB ASP A 832 -12.107 -27.445 -36.976 1.00 0.78 C ATOM 233 CG ASP A 832 -11.955 -27.178 -38.468 1.00 1.21 C ATOM 234 OD1 ASP A 832 -11.252 -27.944 -39.158 1.00 1.51 O ATOM 235 OD2 ASP A 832 -12.561 -26.206 -38.961 1.00 2.03 O ATOM 0 H ASP A 832 -11.018 -25.102 -36.764 1.00 0.48 H new ATOM 0 HA ASP A 832 -10.955 -27.541 -35.154 1.00 0.61 H new ATOM 0 HB2 ASP A 832 -12.357 -28.496 -36.829 1.00 0.78 H new ATOM 0 HB3 ASP A 832 -12.946 -26.862 -36.596 1.00 0.78 H new ATOM 240 N HIS A 833 -8.672 -26.930 -37.267 1.00 0.61 N ATOM 241 CA HIS A 833 -7.469 -27.460 -37.906 1.00 0.74 C ATOM 242 C HIS A 833 -6.215 -26.893 -37.246 1.00 0.75 C ATOM 243 O HIS A 833 -5.720 -25.848 -37.660 1.00 1.20 O ATOM 244 CB HIS A 833 -7.468 -27.142 -39.402 1.00 0.93 C ATOM 245 CG HIS A 833 -7.129 -28.320 -40.262 1.00 1.10 C ATOM 246 ND1 HIS A 833 -7.148 -28.279 -41.640 1.00 1.87 N ATOM 247 CD2 HIS A 833 -6.766 -29.580 -39.930 1.00 1.47 C ATOM 248 CE1 HIS A 833 -6.812 -29.462 -42.115 1.00 2.12 C ATOM 249 NE2 HIS A 833 -6.575 -30.271 -41.099 1.00 1.84 N ATOM 0 H HIS A 833 -8.721 -25.912 -37.227 1.00 0.61 H new ATOM 0 HA HIS A 833 -7.468 -28.543 -37.781 1.00 0.74 H new ATOM 0 HB2 HIS A 833 -8.451 -26.765 -39.686 1.00 0.93 H new ATOM 0 HB3 HIS A 833 -6.752 -26.343 -39.595 1.00 0.93 H new ATOM 0 HD2 HIS A 833 -6.648 -29.970 -38.930 1.00 1.47 H new ATOM 0 HE1 HIS A 833 -6.742 -29.725 -43.160 1.00 2.12 H new ATOM 0 HE2 HIS A 833 -6.296 -31.249 -41.172 1.00 1.84 H new ATOM 258 N PRO A 834 -5.681 -27.629 -36.245 1.00 0.66 N ATOM 259 CA PRO A 834 -4.604 -27.203 -35.326 1.00 0.70 C ATOM 260 C PRO A 834 -3.587 -26.189 -35.871 1.00 0.62 C ATOM 261 O PRO A 834 -3.177 -25.278 -35.146 1.00 0.61 O ATOM 262 CB PRO A 834 -3.912 -28.523 -35.023 1.00 0.92 C ATOM 263 CG PRO A 834 -5.012 -29.533 -35.026 1.00 1.12 C ATOM 264 CD PRO A 834 -6.108 -29.001 -35.920 1.00 0.98 C ATOM 0 HA PRO A 834 -5.027 -26.663 -34.479 1.00 0.70 H new ATOM 0 HB2 PRO A 834 -3.157 -28.757 -35.774 1.00 0.92 H new ATOM 0 HB3 PRO A 834 -3.404 -28.492 -34.059 1.00 0.92 H new ATOM 0 HG2 PRO A 834 -4.650 -30.494 -35.392 1.00 1.12 H new ATOM 0 HG3 PRO A 834 -5.386 -29.697 -34.015 1.00 1.12 H new ATOM 0 HD2 PRO A 834 -6.217 -29.607 -36.819 1.00 0.98 H new ATOM 0 HD3 PRO A 834 -7.073 -29.007 -35.413 1.00 0.98 H new ATOM 272 N ILE A 835 -3.155 -26.351 -37.117 1.00 0.68 N ATOM 273 CA ILE A 835 -2.180 -25.432 -37.709 1.00 0.72 C ATOM 274 C ILE A 835 -2.687 -23.984 -37.689 1.00 0.61 C ATOM 275 O ILE A 835 -1.913 -23.042 -37.465 1.00 0.58 O ATOM 276 CB ILE A 835 -1.814 -25.831 -39.155 1.00 0.91 C ATOM 277 CG1 ILE A 835 -3.066 -26.176 -39.965 1.00 1.64 C ATOM 278 CG2 ILE A 835 -0.843 -27.002 -39.144 1.00 1.72 C ATOM 279 CD1 ILE A 835 -3.299 -25.245 -41.134 1.00 2.26 C ATOM 0 H ILE A 835 -3.460 -27.103 -37.735 1.00 0.68 H new ATOM 0 HA ILE A 835 -1.282 -25.501 -37.095 1.00 0.72 H new ATOM 0 HB ILE A 835 -1.332 -24.979 -39.634 1.00 0.91 H new ATOM 0 HG12 ILE A 835 -2.981 -27.198 -40.335 1.00 1.64 H new ATOM 0 HG13 ILE A 835 -3.935 -26.147 -39.308 1.00 1.64 H new ATOM 0 HG21 ILE A 835 -0.591 -27.276 -40.169 1.00 1.72 H new ATOM 0 HG22 ILE A 835 0.064 -26.717 -38.611 1.00 1.72 H new ATOM 0 HG23 ILE A 835 -1.305 -27.853 -38.644 1.00 1.72 H new ATOM 0 HD11 ILE A 835 -4.202 -25.546 -41.665 1.00 2.26 H new ATOM 0 HD12 ILE A 835 -3.416 -24.225 -40.769 1.00 2.26 H new ATOM 0 HD13 ILE A 835 -2.447 -25.292 -41.812 1.00 2.26 H new ATOM 291 N ASN A 836 -3.986 -23.810 -37.893 1.00 0.57 N ATOM 292 CA ASN A 836 -4.588 -22.485 -37.858 1.00 0.52 C ATOM 293 C ASN A 836 -4.651 -21.993 -36.429 1.00 0.42 C ATOM 294 O ASN A 836 -4.425 -20.825 -36.167 1.00 0.44 O ATOM 295 CB ASN A 836 -6.000 -22.487 -38.442 1.00 0.62 C ATOM 296 CG ASN A 836 -6.072 -23.029 -39.851 1.00 1.06 C ATOM 297 OD1 ASN A 836 -6.900 -24.042 -40.041 1.00 1.35 O flip ATOM 298 ND2 ASN A 836 -5.403 -22.542 -40.761 1.00 1.83 N flip ATOM 0 H ASN A 836 -4.641 -24.568 -38.084 1.00 0.57 H new ATOM 0 HA ASN A 836 -3.967 -21.825 -38.464 1.00 0.52 H new ATOM 0 HB2 ASN A 836 -6.649 -23.082 -37.799 1.00 0.62 H new ATOM 0 HB3 ASN A 836 -6.389 -21.469 -38.433 1.00 0.62 H new ATOM 0 HD21 ASN A 836 -4.776 -21.760 -40.571 1.00 1.83 H new ATOM 0 HD22 ASN A 836 -5.475 -22.920 -41.706 1.00 1.83 H new ATOM 305 N ARG A 837 -4.950 -22.904 -35.512 1.00 0.41 N ATOM 306 CA ARG A 837 -5.037 -22.586 -34.092 1.00 0.42 C ATOM 307 C ARG A 837 -3.768 -21.900 -33.602 1.00 0.38 C ATOM 308 O ARG A 837 -3.827 -20.829 -33.001 1.00 0.40 O ATOM 309 CB ARG A 837 -5.268 -23.859 -33.285 1.00 0.55 C ATOM 310 CG ARG A 837 -6.191 -23.660 -32.102 1.00 0.69 C ATOM 311 CD ARG A 837 -7.413 -24.557 -32.192 1.00 1.25 C ATOM 312 NE ARG A 837 -7.099 -25.958 -31.907 1.00 1.63 N ATOM 313 CZ ARG A 837 -6.799 -26.430 -30.694 1.00 2.06 C ATOM 314 NH1 ARG A 837 -6.765 -25.613 -29.649 1.00 2.44 N ATOM 315 NH2 ARG A 837 -6.547 -27.722 -30.526 1.00 2.78 N ATOM 0 H ARG A 837 -5.139 -23.882 -35.731 1.00 0.41 H new ATOM 0 HA ARG A 837 -5.876 -21.904 -33.953 1.00 0.42 H new ATOM 0 HB2 ARG A 837 -5.687 -24.624 -33.939 1.00 0.55 H new ATOM 0 HB3 ARG A 837 -4.308 -24.234 -32.929 1.00 0.55 H new ATOM 0 HG2 ARG A 837 -5.651 -23.870 -31.179 1.00 0.69 H new ATOM 0 HG3 ARG A 837 -6.506 -22.618 -32.056 1.00 0.69 H new ATOM 0 HD2 ARG A 837 -8.170 -24.207 -31.490 1.00 1.25 H new ATOM 0 HD3 ARG A 837 -7.844 -24.480 -33.190 1.00 1.25 H new ATOM 0 HE ARG A 837 -7.110 -26.617 -32.686 1.00 1.63 H new ATOM 0 HH11 ARG A 837 -6.968 -24.621 -29.770 1.00 2.44 H new ATOM 0 HH12 ARG A 837 -6.536 -25.977 -28.724 1.00 2.44 H new ATOM 0 HH21 ARG A 837 -6.582 -28.356 -31.324 1.00 2.78 H new ATOM 0 HH22 ARG A 837 -6.318 -28.081 -29.599 1.00 2.78 H new ATOM 329 N ARG A 838 -2.622 -22.512 -33.875 1.00 0.40 N ATOM 330 CA ARG A 838 -1.349 -21.977 -33.408 1.00 0.44 C ATOM 331 C ARG A 838 -1.022 -20.651 -34.092 1.00 0.37 C ATOM 332 O ARG A 838 -0.446 -19.759 -33.474 1.00 0.40 O ATOM 333 CB ARG A 838 -0.209 -22.986 -33.613 1.00 0.59 C ATOM 334 CG ARG A 838 -0.094 -23.529 -35.028 1.00 0.96 C ATOM 335 CD ARG A 838 0.967 -22.788 -35.828 1.00 0.87 C ATOM 336 NE ARG A 838 1.887 -23.697 -36.502 1.00 1.50 N ATOM 337 CZ ARG A 838 1.775 -24.068 -37.774 1.00 2.03 C ATOM 338 NH1 ARG A 838 0.763 -23.629 -38.516 1.00 2.49 N ATOM 339 NH2 ARG A 838 2.677 -24.883 -38.300 1.00 2.75 N ATOM 0 H ARG A 838 -2.548 -23.375 -34.414 1.00 0.40 H new ATOM 0 HA ARG A 838 -1.447 -21.792 -32.338 1.00 0.44 H new ATOM 0 HB2 ARG A 838 0.733 -22.510 -33.342 1.00 0.59 H new ATOM 0 HB3 ARG A 838 -0.353 -23.821 -32.928 1.00 0.59 H new ATOM 0 HG2 ARG A 838 0.152 -24.590 -34.992 1.00 0.96 H new ATOM 0 HG3 ARG A 838 -1.057 -23.442 -35.531 1.00 0.96 H new ATOM 0 HD2 ARG A 838 0.482 -22.151 -36.568 1.00 0.87 H new ATOM 0 HD3 ARG A 838 1.529 -22.133 -35.162 1.00 0.87 H new ATOM 0 HE ARG A 838 2.667 -24.073 -35.963 1.00 1.50 H new ATOM 0 HH11 ARG A 838 0.067 -23.004 -38.110 1.00 2.49 H new ATOM 0 HH12 ARG A 838 0.683 -23.917 -39.491 1.00 2.49 H new ATOM 0 HH21 ARG A 838 3.452 -25.222 -37.730 1.00 2.75 H new ATOM 0 HH22 ARG A 838 2.597 -25.171 -39.275 1.00 2.75 H new ATOM 353 N LEU A 839 -1.402 -20.521 -35.361 1.00 0.36 N ATOM 354 CA LEU A 839 -1.126 -19.302 -36.119 1.00 0.40 C ATOM 355 C LEU A 839 -1.998 -18.142 -35.633 1.00 0.34 C ATOM 356 O LEU A 839 -1.518 -17.027 -35.421 1.00 0.37 O ATOM 357 CB LEU A 839 -1.372 -19.548 -37.608 1.00 0.52 C ATOM 358 CG LEU A 839 -0.215 -20.206 -38.361 1.00 0.82 C ATOM 359 CD1 LEU A 839 -0.638 -20.546 -39.779 1.00 1.13 C ATOM 360 CD2 LEU A 839 1.009 -19.299 -38.367 1.00 1.14 C ATOM 0 H LEU A 839 -1.900 -21.241 -35.885 1.00 0.36 H new ATOM 0 HA LEU A 839 -0.081 -19.033 -35.963 1.00 0.40 H new ATOM 0 HB2 LEU A 839 -2.257 -20.176 -37.714 1.00 0.52 H new ATOM 0 HB3 LEU A 839 -1.598 -18.594 -38.085 1.00 0.52 H new ATOM 0 HG LEU A 839 0.052 -21.130 -37.848 1.00 0.82 H new ATOM 0 HD11 LEU A 839 0.194 -21.014 -40.305 1.00 1.13 H new ATOM 0 HD12 LEU A 839 -1.483 -21.234 -39.752 1.00 1.13 H new ATOM 0 HD13 LEU A 839 -0.930 -19.634 -40.300 1.00 1.13 H new ATOM 0 HD21 LEU A 839 1.820 -19.786 -38.908 1.00 1.14 H new ATOM 0 HD22 LEU A 839 0.761 -18.357 -38.856 1.00 1.14 H new ATOM 0 HD23 LEU A 839 1.322 -19.104 -37.341 1.00 1.14 H new ATOM 372 N LEU A 840 -3.275 -18.427 -35.454 1.00 0.35 N ATOM 373 CA LEU A 840 -4.259 -17.443 -35.033 1.00 0.42 C ATOM 374 C LEU A 840 -3.997 -17.007 -33.594 1.00 0.42 C ATOM 375 O LEU A 840 -4.095 -15.824 -33.263 1.00 0.47 O ATOM 376 CB LEU A 840 -5.664 -18.046 -35.194 1.00 0.55 C ATOM 377 CG LEU A 840 -6.811 -17.301 -34.516 1.00 0.86 C ATOM 378 CD1 LEU A 840 -7.123 -16.012 -35.255 1.00 1.43 C ATOM 379 CD2 LEU A 840 -8.044 -18.191 -34.457 1.00 1.10 C ATOM 0 H LEU A 840 -3.664 -19.359 -35.598 1.00 0.35 H new ATOM 0 HA LEU A 840 -4.185 -16.552 -35.657 1.00 0.42 H new ATOM 0 HB2 LEU A 840 -5.885 -18.114 -36.259 1.00 0.55 H new ATOM 0 HB3 LEU A 840 -5.644 -19.065 -34.807 1.00 0.55 H new ATOM 0 HG LEU A 840 -6.510 -17.046 -33.500 1.00 0.86 H new ATOM 0 HD11 LEU A 840 -7.943 -15.496 -34.756 1.00 1.43 H new ATOM 0 HD12 LEU A 840 -6.241 -15.372 -35.259 1.00 1.43 H new ATOM 0 HD13 LEU A 840 -7.410 -16.241 -36.281 1.00 1.43 H new ATOM 0 HD21 LEU A 840 -8.858 -17.653 -33.972 1.00 1.10 H new ATOM 0 HD22 LEU A 840 -8.343 -18.466 -35.468 1.00 1.10 H new ATOM 0 HD23 LEU A 840 -7.815 -19.092 -33.888 1.00 1.10 H new ATOM 391 N ALA A 841 -3.638 -17.967 -32.746 1.00 0.42 N ATOM 392 CA ALA A 841 -3.289 -17.673 -31.361 1.00 0.50 C ATOM 393 C ALA A 841 -1.988 -16.882 -31.294 1.00 0.46 C ATOM 394 O ALA A 841 -1.798 -16.058 -30.402 1.00 0.49 O ATOM 395 CB ALA A 841 -3.170 -18.957 -30.553 1.00 0.60 C ATOM 0 H ALA A 841 -3.581 -18.955 -32.994 1.00 0.42 H new ATOM 0 HA ALA A 841 -4.086 -17.067 -30.930 1.00 0.50 H new ATOM 0 HB1 ALA A 841 -2.909 -18.716 -29.523 1.00 0.60 H new ATOM 0 HB2 ALA A 841 -4.122 -19.488 -30.571 1.00 0.60 H new ATOM 0 HB3 ALA A 841 -2.394 -19.588 -30.985 1.00 0.60 H new ATOM 401 N ASP A 842 -1.096 -17.137 -32.247 1.00 0.43 N ATOM 402 CA ASP A 842 0.157 -16.393 -32.349 1.00 0.45 C ATOM 403 C ASP A 842 -0.131 -14.916 -32.593 1.00 0.40 C ATOM 404 O ASP A 842 0.369 -14.051 -31.877 1.00 0.42 O ATOM 405 CB ASP A 842 1.027 -16.963 -33.479 1.00 0.52 C ATOM 406 CG ASP A 842 2.202 -16.072 -33.848 1.00 0.82 C ATOM 407 OD1 ASP A 842 2.812 -15.466 -32.941 1.00 1.27 O ATOM 408 OD2 ASP A 842 2.531 -15.982 -35.052 1.00 1.34 O ATOM 0 H ASP A 842 -1.218 -17.855 -32.961 1.00 0.43 H new ATOM 0 HA ASP A 842 0.702 -16.493 -31.411 1.00 0.45 H new ATOM 0 HB2 ASP A 842 1.403 -17.941 -33.179 1.00 0.52 H new ATOM 0 HB3 ASP A 842 0.407 -17.117 -34.362 1.00 0.52 H new ATOM 413 N GLN A 843 -0.968 -14.639 -33.586 1.00 0.38 N ATOM 414 CA GLN A 843 -1.329 -13.267 -33.922 1.00 0.39 C ATOM 415 C GLN A 843 -2.041 -12.586 -32.755 1.00 0.36 C ATOM 416 O GLN A 843 -1.822 -11.404 -32.489 1.00 0.38 O ATOM 417 CB GLN A 843 -2.209 -13.240 -35.176 1.00 0.44 C ATOM 418 CG GLN A 843 -1.449 -12.858 -36.439 1.00 0.56 C ATOM 419 CD GLN A 843 -0.545 -13.970 -36.935 1.00 1.11 C ATOM 420 OE1 GLN A 843 0.531 -14.224 -36.209 1.00 1.85 O flip ATOM 421 NE2 GLN A 843 -0.806 -14.588 -37.970 1.00 1.64 N flip ATOM 0 H GLN A 843 -1.410 -15.347 -34.173 1.00 0.38 H new ATOM 0 HA GLN A 843 -0.412 -12.715 -34.126 1.00 0.39 H new ATOM 0 HB2 GLN A 843 -2.660 -14.222 -35.315 1.00 0.44 H new ATOM 0 HB3 GLN A 843 -3.025 -12.533 -35.024 1.00 0.44 H new ATOM 0 HG2 GLN A 843 -2.161 -12.597 -37.222 1.00 0.56 H new ATOM 0 HG3 GLN A 843 -0.850 -11.968 -36.243 1.00 0.56 H new ATOM 0 HE21 GLN A 843 -1.647 -14.361 -38.501 1.00 1.64 H new ATOM 0 HE22 GLN A 843 -0.181 -15.326 -38.295 1.00 1.64 H new ATOM 430 N LEU A 844 -2.877 -13.345 -32.056 1.00 0.35 N ATOM 431 CA LEU A 844 -3.583 -12.832 -30.887 1.00 0.37 C ATOM 432 C LEU A 844 -2.603 -12.488 -29.769 1.00 0.38 C ATOM 433 O LEU A 844 -2.778 -11.498 -29.055 1.00 0.40 O ATOM 434 CB LEU A 844 -4.602 -13.859 -30.391 1.00 0.43 C ATOM 435 CG LEU A 844 -5.678 -13.307 -29.457 1.00 0.59 C ATOM 436 CD1 LEU A 844 -6.302 -12.052 -30.044 1.00 1.08 C ATOM 437 CD2 LEU A 844 -6.744 -14.361 -29.195 1.00 1.24 C ATOM 0 H LEU A 844 -3.083 -14.319 -32.278 1.00 0.35 H new ATOM 0 HA LEU A 844 -4.108 -11.922 -31.179 1.00 0.37 H new ATOM 0 HB2 LEU A 844 -5.090 -14.310 -31.255 1.00 0.43 H new ATOM 0 HB3 LEU A 844 -4.068 -14.656 -29.874 1.00 0.43 H new ATOM 0 HG LEU A 844 -5.210 -13.045 -28.508 1.00 0.59 H new ATOM 0 HD11 LEU A 844 -7.066 -11.674 -29.365 1.00 1.08 H new ATOM 0 HD12 LEU A 844 -5.532 -11.293 -30.183 1.00 1.08 H new ATOM 0 HD13 LEU A 844 -6.757 -12.288 -31.006 1.00 1.08 H new ATOM 0 HD21 LEU A 844 -7.503 -13.953 -28.528 1.00 1.24 H new ATOM 0 HD22 LEU A 844 -7.208 -14.652 -30.138 1.00 1.24 H new ATOM 0 HD23 LEU A 844 -6.286 -15.235 -28.731 1.00 1.24 H new ATOM 449 N GLY A 845 -1.572 -13.312 -29.626 1.00 0.42 N ATOM 450 CA GLY A 845 -0.556 -13.074 -28.622 1.00 0.49 C ATOM 451 C GLY A 845 0.228 -11.809 -28.894 1.00 0.47 C ATOM 452 O GLY A 845 0.498 -11.030 -27.979 1.00 0.52 O ATOM 0 H GLY A 845 -1.422 -14.147 -30.193 1.00 0.42 H new ATOM 0 HA2 GLY A 845 -1.026 -13.005 -27.641 1.00 0.49 H new ATOM 0 HA3 GLY A 845 0.127 -13.923 -28.589 1.00 0.49 H new ATOM 456 N SER A 846 0.578 -11.590 -30.160 1.00 0.47 N ATOM 457 CA SER A 846 1.300 -10.385 -30.553 1.00 0.52 C ATOM 458 C SER A 846 0.438 -9.142 -30.323 1.00 0.46 C ATOM 459 O SER A 846 0.955 -8.049 -30.082 1.00 0.52 O ATOM 460 CB SER A 846 1.724 -10.476 -32.021 1.00 0.62 C ATOM 461 OG SER A 846 2.010 -11.819 -32.387 1.00 0.70 O ATOM 0 H SER A 846 0.374 -12.230 -30.928 1.00 0.47 H new ATOM 0 HA SER A 846 2.194 -10.301 -29.936 1.00 0.52 H new ATOM 0 HB2 SER A 846 0.931 -10.083 -32.657 1.00 0.62 H new ATOM 0 HB3 SER A 846 2.604 -9.855 -32.188 1.00 0.62 H new ATOM 0 HG SER A 846 2.277 -11.851 -33.329 1.00 0.70 H new ATOM 467 N LEU A 847 -0.877 -9.326 -30.387 1.00 0.42 N ATOM 468 CA LEU A 847 -1.826 -8.248 -30.131 1.00 0.47 C ATOM 469 C LEU A 847 -1.792 -7.836 -28.666 1.00 0.46 C ATOM 470 O LEU A 847 -2.064 -6.685 -28.330 1.00 0.56 O ATOM 471 CB LEU A 847 -3.246 -8.691 -30.492 1.00 0.56 C ATOM 472 CG LEU A 847 -3.771 -8.182 -31.833 1.00 0.74 C ATOM 473 CD1 LEU A 847 -4.566 -9.269 -32.532 1.00 1.36 C ATOM 474 CD2 LEU A 847 -4.618 -6.935 -31.635 1.00 1.56 C ATOM 0 H LEU A 847 -1.312 -10.220 -30.616 1.00 0.42 H new ATOM 0 HA LEU A 847 -1.540 -7.397 -30.750 1.00 0.47 H new ATOM 0 HB2 LEU A 847 -3.278 -9.781 -30.499 1.00 0.56 H new ATOM 0 HB3 LEU A 847 -3.923 -8.357 -29.706 1.00 0.56 H new ATOM 0 HG LEU A 847 -2.922 -7.918 -32.463 1.00 0.74 H new ATOM 0 HD11 LEU A 847 -4.935 -8.893 -33.487 1.00 1.36 H new ATOM 0 HD12 LEU A 847 -3.926 -10.134 -32.705 1.00 1.36 H new ATOM 0 HD13 LEU A 847 -5.410 -9.562 -31.907 1.00 1.36 H new ATOM 0 HD21 LEU A 847 -4.984 -6.586 -32.601 1.00 1.56 H new ATOM 0 HD22 LEU A 847 -5.465 -7.169 -30.990 1.00 1.56 H new ATOM 0 HD23 LEU A 847 -4.014 -6.154 -31.172 1.00 1.56 H new ATOM 486 N GLY A 848 -1.456 -8.782 -27.799 1.00 0.43 N ATOM 487 CA GLY A 848 -1.473 -8.524 -26.375 1.00 0.48 C ATOM 488 C GLY A 848 -2.835 -8.797 -25.774 1.00 0.48 C ATOM 489 O GLY A 848 -3.164 -8.307 -24.691 1.00 0.62 O ATOM 0 H GLY A 848 -1.171 -9.726 -28.059 1.00 0.43 H new ATOM 0 HA2 GLY A 848 -0.726 -9.147 -25.883 1.00 0.48 H new ATOM 0 HA3 GLY A 848 -1.194 -7.487 -26.190 1.00 0.48 H new ATOM 493 N TYR A 849 -3.636 -9.576 -26.485 1.00 0.42 N ATOM 494 CA TYR A 849 -4.969 -9.921 -26.025 1.00 0.46 C ATOM 495 C TYR A 849 -4.977 -11.342 -25.476 1.00 0.45 C ATOM 496 O TYR A 849 -4.152 -12.170 -25.869 1.00 0.51 O ATOM 497 CB TYR A 849 -5.984 -9.781 -27.166 1.00 0.53 C ATOM 498 CG TYR A 849 -6.357 -8.346 -27.486 1.00 0.63 C ATOM 499 CD1 TYR A 849 -5.389 -7.421 -27.858 1.00 1.07 C ATOM 500 CD2 TYR A 849 -7.676 -7.919 -27.415 1.00 0.93 C ATOM 501 CE1 TYR A 849 -5.722 -6.114 -28.151 1.00 1.20 C ATOM 502 CE2 TYR A 849 -8.019 -6.611 -27.708 1.00 1.09 C ATOM 503 CZ TYR A 849 -7.038 -5.713 -28.073 1.00 1.00 C ATOM 504 OH TYR A 849 -7.375 -4.408 -28.364 1.00 1.22 O ATOM 0 H TYR A 849 -3.383 -9.982 -27.386 1.00 0.42 H new ATOM 0 HA TYR A 849 -5.255 -9.234 -25.228 1.00 0.46 H new ATOM 0 HB2 TYR A 849 -5.575 -10.248 -28.062 1.00 0.53 H new ATOM 0 HB3 TYR A 849 -6.888 -10.331 -26.904 1.00 0.53 H new ATOM 0 HD1 TYR A 849 -4.356 -7.731 -27.919 1.00 1.07 H new ATOM 0 HD2 TYR A 849 -8.446 -8.619 -27.127 1.00 0.93 H new ATOM 0 HE1 TYR A 849 -4.956 -5.410 -28.440 1.00 1.20 H new ATOM 0 HE2 TYR A 849 -9.050 -6.295 -27.651 1.00 1.09 H new ATOM 0 HH TYR A 849 -8.342 -4.290 -28.262 1.00 1.22 H new ATOM 514 N GLN A 850 -5.900 -11.623 -24.566 1.00 0.47 N ATOM 515 CA GLN A 850 -5.963 -12.928 -23.924 1.00 0.49 C ATOM 516 C GLN A 850 -6.402 -13.989 -24.914 1.00 0.45 C ATOM 517 O GLN A 850 -7.408 -13.834 -25.600 1.00 0.51 O ATOM 518 CB GLN A 850 -6.914 -12.891 -22.732 1.00 0.59 C ATOM 519 CG GLN A 850 -6.215 -12.611 -21.417 1.00 0.97 C ATOM 520 CD GLN A 850 -5.829 -13.876 -20.680 1.00 1.66 C ATOM 521 OE1 GLN A 850 -5.043 -14.685 -21.175 1.00 2.38 O ATOM 522 NE2 GLN A 850 -6.381 -14.055 -19.494 1.00 2.17 N ATOM 0 H GLN A 850 -6.615 -10.965 -24.256 1.00 0.47 H new ATOM 0 HA GLN A 850 -4.965 -13.181 -23.565 1.00 0.49 H new ATOM 0 HB2 GLN A 850 -7.671 -12.126 -22.903 1.00 0.59 H new ATOM 0 HB3 GLN A 850 -7.436 -13.845 -22.662 1.00 0.59 H new ATOM 0 HG2 GLN A 850 -5.320 -12.017 -21.605 1.00 0.97 H new ATOM 0 HG3 GLN A 850 -6.868 -12.011 -20.783 1.00 0.97 H new ATOM 0 HE21 GLN A 850 -7.027 -13.359 -19.122 1.00 2.17 H new ATOM 0 HE22 GLN A 850 -6.161 -14.889 -18.950 1.00 2.17 H new ATOM 531 N CYS A 851 -5.641 -15.065 -24.987 1.00 0.45 N ATOM 532 CA CYS A 851 -5.904 -16.119 -25.952 1.00 0.47 C ATOM 533 C CYS A 851 -6.293 -17.415 -25.252 1.00 0.41 C ATOM 534 O CYS A 851 -5.485 -18.017 -24.544 1.00 0.51 O ATOM 535 CB CYS A 851 -4.670 -16.341 -26.830 1.00 0.61 C ATOM 536 SG CYS A 851 -3.404 -15.057 -26.662 1.00 0.94 S ATOM 0 H CYS A 851 -4.833 -15.233 -24.388 1.00 0.45 H new ATOM 0 HA CYS A 851 -6.740 -15.810 -26.580 1.00 0.47 H new ATOM 0 HB2 CYS A 851 -4.229 -17.306 -26.581 1.00 0.61 H new ATOM 0 HB3 CYS A 851 -4.984 -16.393 -27.873 1.00 0.61 H new ATOM 0 HG CYS A 851 -3.971 -13.925 -26.366 1.00 0.94 H new ATOM 542 N LYS A 852 -7.542 -17.824 -25.428 1.00 0.34 N ATOM 543 CA LYS A 852 -8.011 -19.096 -24.896 1.00 0.34 C ATOM 544 C LYS A 852 -8.258 -20.061 -26.050 1.00 0.31 C ATOM 545 O LYS A 852 -9.028 -19.762 -26.960 1.00 0.33 O ATOM 546 CB LYS A 852 -9.284 -18.895 -24.070 1.00 0.40 C ATOM 547 CG LYS A 852 -9.049 -18.923 -22.565 1.00 0.66 C ATOM 548 CD LYS A 852 -8.068 -17.845 -22.122 1.00 0.56 C ATOM 549 CE LYS A 852 -7.812 -17.907 -20.625 1.00 0.88 C ATOM 550 NZ LYS A 852 -6.552 -18.628 -20.307 1.00 1.44 N ATOM 0 H LYS A 852 -8.249 -17.293 -25.936 1.00 0.34 H new ATOM 0 HA LYS A 852 -7.251 -19.516 -24.237 1.00 0.34 H new ATOM 0 HB2 LYS A 852 -9.735 -17.940 -24.341 1.00 0.40 H new ATOM 0 HB3 LYS A 852 -10.002 -19.672 -24.331 1.00 0.40 H new ATOM 0 HG2 LYS A 852 -9.998 -18.785 -22.047 1.00 0.66 H new ATOM 0 HG3 LYS A 852 -8.667 -19.902 -22.276 1.00 0.66 H new ATOM 0 HD2 LYS A 852 -7.127 -17.965 -22.659 1.00 0.56 H new ATOM 0 HD3 LYS A 852 -8.462 -16.863 -22.385 1.00 0.56 H new ATOM 0 HE2 LYS A 852 -7.762 -16.895 -20.223 1.00 0.88 H new ATOM 0 HE3 LYS A 852 -8.649 -18.404 -20.134 1.00 0.88 H new ATOM 0 HZ1 LYS A 852 -6.414 -18.648 -19.276 1.00 1.44 H new ATOM 0 HZ2 LYS A 852 -6.609 -19.602 -20.668 1.00 1.44 H new ATOM 0 HZ3 LYS A 852 -5.750 -18.139 -20.754 1.00 1.44 H new ATOM 564 N THR A 853 -7.601 -21.207 -26.014 1.00 0.33 N ATOM 565 CA THR A 853 -7.586 -22.117 -27.152 1.00 0.34 C ATOM 566 C THR A 853 -8.628 -23.229 -27.025 1.00 0.34 C ATOM 567 O THR A 853 -8.723 -23.896 -25.993 1.00 0.44 O ATOM 568 CB THR A 853 -6.191 -22.747 -27.323 1.00 0.46 C ATOM 569 OG1 THR A 853 -5.277 -22.163 -26.389 1.00 0.62 O ATOM 570 CG2 THR A 853 -5.670 -22.543 -28.738 1.00 0.61 C ATOM 0 H THR A 853 -7.068 -21.533 -25.207 1.00 0.33 H new ATOM 0 HA THR A 853 -7.835 -21.521 -28.030 1.00 0.34 H new ATOM 0 HB THR A 853 -6.276 -23.817 -27.136 1.00 0.46 H new ATOM 0 HG1 THR A 853 -4.392 -22.568 -26.501 1.00 0.62 H new ATOM 0 HG21 THR A 853 -4.684 -22.997 -28.832 1.00 0.61 H new ATOM 0 HG22 THR A 853 -6.353 -23.009 -29.448 1.00 0.61 H new ATOM 0 HG23 THR A 853 -5.600 -21.476 -28.949 1.00 0.61 H new ATOM 578 N ALA A 854 -9.397 -23.425 -28.091 1.00 0.32 N ATOM 579 CA ALA A 854 -10.392 -24.490 -28.154 1.00 0.37 C ATOM 580 C ALA A 854 -10.532 -24.948 -29.603 1.00 0.34 C ATOM 581 O ALA A 854 -9.937 -24.335 -30.494 1.00 0.35 O ATOM 582 CB ALA A 854 -11.722 -24.013 -27.591 1.00 0.47 C ATOM 0 H ALA A 854 -9.349 -22.852 -28.933 1.00 0.32 H new ATOM 0 HA ALA A 854 -10.069 -25.334 -27.545 1.00 0.37 H new ATOM 0 HB1 ALA A 854 -12.451 -24.821 -27.647 1.00 0.47 H new ATOM 0 HB2 ALA A 854 -11.591 -23.714 -26.551 1.00 0.47 H new ATOM 0 HB3 ALA A 854 -12.079 -23.162 -28.171 1.00 0.47 H new ATOM 588 N ASN A 855 -11.313 -25.997 -29.867 1.00 0.36 N ATOM 589 CA ASN A 855 -11.314 -26.578 -31.209 1.00 0.43 C ATOM 590 C ASN A 855 -12.642 -27.233 -31.578 1.00 0.44 C ATOM 591 O ASN A 855 -12.734 -28.459 -31.642 1.00 0.53 O ATOM 592 CB ASN A 855 -10.170 -27.602 -31.353 1.00 0.54 C ATOM 593 CG ASN A 855 -10.092 -28.608 -30.211 1.00 1.11 C ATOM 594 OD1 ASN A 855 -9.805 -28.253 -29.066 1.00 1.90 O ATOM 595 ND2 ASN A 855 -10.337 -29.875 -30.513 1.00 1.75 N ATOM 0 H ASN A 855 -11.933 -26.449 -29.195 1.00 0.36 H new ATOM 0 HA ASN A 855 -11.162 -25.750 -31.902 1.00 0.43 H new ATOM 0 HB2 ASN A 855 -10.295 -28.142 -32.291 1.00 0.54 H new ATOM 0 HB3 ASN A 855 -9.223 -27.067 -31.417 1.00 0.54 H new ATOM 0 HD21 ASN A 855 -10.291 -30.590 -29.787 1.00 1.75 H new ATOM 0 HD22 ASN A 855 -10.572 -30.135 -31.471 1.00 1.75 H new ATOM 602 N ASP A 856 -13.648 -26.396 -31.842 1.00 0.43 N ATOM 603 CA ASP A 856 -14.916 -26.810 -32.465 1.00 0.47 C ATOM 604 C ASP A 856 -15.967 -25.750 -32.243 1.00 0.49 C ATOM 605 O ASP A 856 -15.887 -24.973 -31.294 1.00 0.60 O ATOM 606 CB ASP A 856 -15.451 -28.153 -31.946 1.00 0.51 C ATOM 607 CG ASP A 856 -16.204 -28.922 -33.021 1.00 0.80 C ATOM 608 OD1 ASP A 856 -17.224 -28.407 -33.525 1.00 1.01 O ATOM 609 OD2 ASP A 856 -15.785 -30.048 -33.359 1.00 1.45 O ATOM 0 H ASP A 856 -13.609 -25.399 -31.628 1.00 0.43 H new ATOM 0 HA ASP A 856 -14.702 -26.938 -33.526 1.00 0.47 H new ATOM 0 HB2 ASP A 856 -14.620 -28.758 -31.583 1.00 0.51 H new ATOM 0 HB3 ASP A 856 -16.112 -27.976 -31.097 1.00 0.51 H new ATOM 614 N GLY A 857 -16.966 -25.733 -33.100 1.00 0.53 N ATOM 615 CA GLY A 857 -18.032 -24.780 -32.949 1.00 0.58 C ATOM 616 C GLY A 857 -18.875 -25.076 -31.729 1.00 0.54 C ATOM 617 O GLY A 857 -19.254 -24.171 -30.990 1.00 0.57 O ATOM 0 H GLY A 857 -17.058 -26.362 -33.898 1.00 0.53 H new ATOM 0 HA2 GLY A 857 -17.615 -23.776 -32.869 1.00 0.58 H new ATOM 0 HA3 GLY A 857 -18.661 -24.793 -33.839 1.00 0.58 H new ATOM 621 N VAL A 858 -19.149 -26.354 -31.511 1.00 0.52 N ATOM 622 CA VAL A 858 -19.916 -26.778 -30.352 1.00 0.52 C ATOM 623 C VAL A 858 -19.077 -26.669 -29.082 1.00 0.50 C ATOM 624 O VAL A 858 -19.604 -26.406 -27.999 1.00 0.54 O ATOM 625 CB VAL A 858 -20.459 -28.213 -30.517 1.00 0.55 C ATOM 626 CG1 VAL A 858 -21.641 -28.219 -31.476 1.00 0.72 C ATOM 627 CG2 VAL A 858 -19.372 -29.160 -31.003 1.00 0.95 C ATOM 0 H VAL A 858 -18.851 -27.114 -32.122 1.00 0.52 H new ATOM 0 HA VAL A 858 -20.772 -26.109 -30.267 1.00 0.52 H new ATOM 0 HB VAL A 858 -20.795 -28.564 -29.541 1.00 0.55 H new ATOM 0 HG11 VAL A 858 -22.016 -29.237 -31.585 1.00 0.72 H new ATOM 0 HG12 VAL A 858 -22.432 -27.581 -31.082 1.00 0.72 H new ATOM 0 HG13 VAL A 858 -21.322 -27.844 -32.449 1.00 0.72 H new ATOM 0 HG21 VAL A 858 -19.785 -30.163 -31.110 1.00 0.95 H new ATOM 0 HG22 VAL A 858 -18.996 -28.818 -31.967 1.00 0.95 H new ATOM 0 HG23 VAL A 858 -18.556 -29.178 -30.281 1.00 0.95 H new ATOM 637 N ASP A 859 -17.763 -26.849 -29.223 1.00 0.47 N ATOM 638 CA ASP A 859 -16.846 -26.722 -28.095 1.00 0.49 C ATOM 639 C ASP A 859 -16.802 -25.278 -27.616 1.00 0.45 C ATOM 640 O ASP A 859 -16.607 -25.008 -26.430 1.00 0.46 O ATOM 641 CB ASP A 859 -15.442 -27.179 -28.492 1.00 0.55 C ATOM 642 CG ASP A 859 -14.548 -27.423 -27.293 1.00 0.64 C ATOM 643 OD1 ASP A 859 -15.057 -27.910 -26.261 1.00 0.75 O ATOM 644 OD2 ASP A 859 -13.335 -27.113 -27.370 1.00 0.84 O ATOM 0 H ASP A 859 -17.312 -27.083 -30.108 1.00 0.47 H new ATOM 0 HA ASP A 859 -17.206 -27.357 -27.285 1.00 0.49 H new ATOM 0 HB2 ASP A 859 -15.514 -28.095 -29.079 1.00 0.55 H new ATOM 0 HB3 ASP A 859 -14.986 -26.425 -29.133 1.00 0.55 H new ATOM 649 N ALA A 860 -16.999 -24.352 -28.550 1.00 0.45 N ATOM 650 CA ALA A 860 -17.059 -22.935 -28.229 1.00 0.47 C ATOM 651 C ALA A 860 -18.168 -22.655 -27.222 1.00 0.49 C ATOM 652 O ALA A 860 -17.967 -21.923 -26.261 1.00 0.51 O ATOM 653 CB ALA A 860 -17.267 -22.110 -29.489 1.00 0.51 C ATOM 0 H ALA A 860 -17.120 -24.563 -29.541 1.00 0.45 H new ATOM 0 HA ALA A 860 -16.108 -22.648 -27.780 1.00 0.47 H new ATOM 0 HB1 ALA A 860 -17.309 -21.052 -29.229 1.00 0.51 H new ATOM 0 HB2 ALA A 860 -16.439 -22.281 -30.177 1.00 0.51 H new ATOM 0 HB3 ALA A 860 -18.202 -22.404 -29.966 1.00 0.51 H new ATOM 659 N LEU A 861 -19.336 -23.249 -27.441 1.00 0.55 N ATOM 660 CA LEU A 861 -20.458 -23.088 -26.526 1.00 0.66 C ATOM 661 C LEU A 861 -20.149 -23.735 -25.179 1.00 0.59 C ATOM 662 O LEU A 861 -20.500 -23.201 -24.127 1.00 0.60 O ATOM 663 CB LEU A 861 -21.722 -23.711 -27.118 1.00 0.87 C ATOM 664 CG LEU A 861 -22.403 -22.912 -28.236 1.00 0.85 C ATOM 665 CD1 LEU A 861 -22.010 -21.439 -28.185 1.00 1.85 C ATOM 666 CD2 LEU A 861 -22.072 -23.511 -29.597 1.00 1.19 C ATOM 0 H LEU A 861 -19.530 -23.846 -28.245 1.00 0.55 H new ATOM 0 HA LEU A 861 -20.623 -22.021 -26.376 1.00 0.66 H new ATOM 0 HB2 LEU A 861 -21.470 -24.698 -27.505 1.00 0.87 H new ATOM 0 HB3 LEU A 861 -22.442 -23.859 -26.313 1.00 0.87 H new ATOM 0 HG LEU A 861 -23.480 -22.972 -28.082 1.00 0.85 H new ATOM 0 HD11 LEU A 861 -22.510 -20.901 -28.991 1.00 1.85 H new ATOM 0 HD12 LEU A 861 -22.309 -21.016 -27.226 1.00 1.85 H new ATOM 0 HD13 LEU A 861 -20.930 -21.346 -28.302 1.00 1.85 H new ATOM 0 HD21 LEU A 861 -22.563 -22.932 -30.379 1.00 1.19 H new ATOM 0 HD22 LEU A 861 -20.993 -23.488 -29.752 1.00 1.19 H new ATOM 0 HD23 LEU A 861 -22.422 -24.543 -29.635 1.00 1.19 H new ATOM 678 N ASN A 862 -19.484 -24.884 -25.233 1.00 0.58 N ATOM 679 CA ASN A 862 -19.112 -25.639 -24.036 1.00 0.59 C ATOM 680 C ASN A 862 -18.218 -24.803 -23.118 1.00 0.53 C ATOM 681 O ASN A 862 -18.501 -24.636 -21.927 1.00 0.55 O ATOM 682 CB ASN A 862 -18.401 -26.935 -24.456 1.00 0.66 C ATOM 683 CG ASN A 862 -17.599 -27.582 -23.338 1.00 1.02 C ATOM 684 OD1 ASN A 862 -18.118 -27.853 -22.255 1.00 1.21 O ATOM 685 ND2 ASN A 862 -16.331 -27.862 -23.609 1.00 1.72 N ATOM 0 H ASN A 862 -19.187 -25.320 -26.106 1.00 0.58 H new ATOM 0 HA ASN A 862 -20.014 -25.888 -23.477 1.00 0.59 H new ATOM 0 HB2 ASN A 862 -19.144 -27.646 -24.817 1.00 0.66 H new ATOM 0 HB3 ASN A 862 -17.735 -26.719 -25.291 1.00 0.66 H new ATOM 0 HD21 ASN A 862 -15.748 -28.318 -22.907 1.00 1.72 H new ATOM 0 HD22 ASN A 862 -15.939 -27.621 -24.519 1.00 1.72 H new ATOM 692 N VAL A 863 -17.153 -24.253 -23.679 1.00 0.48 N ATOM 693 CA VAL A 863 -16.232 -23.431 -22.909 1.00 0.48 C ATOM 694 C VAL A 863 -16.881 -22.093 -22.530 1.00 0.47 C ATOM 695 O VAL A 863 -16.594 -21.538 -21.471 1.00 0.50 O ATOM 696 CB VAL A 863 -14.897 -23.203 -23.663 1.00 0.51 C ATOM 697 CG1 VAL A 863 -15.115 -22.441 -24.955 1.00 0.81 C ATOM 698 CG2 VAL A 863 -13.884 -22.491 -22.777 1.00 0.89 C ATOM 0 H VAL A 863 -16.905 -24.360 -24.663 1.00 0.48 H new ATOM 0 HA VAL A 863 -16.000 -23.973 -21.992 1.00 0.48 H new ATOM 0 HB VAL A 863 -14.493 -24.182 -23.920 1.00 0.51 H new ATOM 0 HG11 VAL A 863 -14.159 -22.298 -25.459 1.00 0.81 H new ATOM 0 HG12 VAL A 863 -15.785 -23.006 -25.602 1.00 0.81 H new ATOM 0 HG13 VAL A 863 -15.558 -21.470 -24.734 1.00 0.81 H new ATOM 0 HG21 VAL A 863 -12.957 -22.344 -23.330 1.00 0.89 H new ATOM 0 HG22 VAL A 863 -14.283 -21.523 -22.473 1.00 0.89 H new ATOM 0 HG23 VAL A 863 -13.686 -23.096 -21.892 1.00 0.89 H new ATOM 708 N LEU A 864 -17.772 -21.599 -23.393 1.00 0.46 N ATOM 709 CA LEU A 864 -18.480 -20.340 -23.159 1.00 0.50 C ATOM 710 C LEU A 864 -19.327 -20.401 -21.890 1.00 0.55 C ATOM 711 O LEU A 864 -19.440 -19.412 -21.162 1.00 0.59 O ATOM 712 CB LEU A 864 -19.382 -20.006 -24.354 1.00 0.54 C ATOM 713 CG LEU A 864 -19.106 -18.666 -25.045 1.00 0.79 C ATOM 714 CD1 LEU A 864 -19.202 -17.519 -24.052 1.00 1.66 C ATOM 715 CD2 LEU A 864 -17.743 -18.679 -25.720 1.00 1.06 C ATOM 0 H LEU A 864 -18.021 -22.058 -24.269 1.00 0.46 H new ATOM 0 HA LEU A 864 -17.728 -19.561 -23.036 1.00 0.50 H new ATOM 0 HB2 LEU A 864 -19.283 -20.801 -25.093 1.00 0.54 H new ATOM 0 HB3 LEU A 864 -20.418 -20.012 -24.016 1.00 0.54 H new ATOM 0 HG LEU A 864 -19.865 -18.517 -25.813 1.00 0.79 H new ATOM 0 HD11 LEU A 864 -19.003 -16.577 -24.563 1.00 1.66 H new ATOM 0 HD12 LEU A 864 -20.203 -17.493 -23.622 1.00 1.66 H new ATOM 0 HD13 LEU A 864 -18.469 -17.663 -23.258 1.00 1.66 H new ATOM 0 HD21 LEU A 864 -17.568 -17.718 -26.204 1.00 1.06 H new ATOM 0 HD22 LEU A 864 -16.969 -18.856 -24.973 1.00 1.06 H new ATOM 0 HD23 LEU A 864 -17.714 -19.472 -26.467 1.00 1.06 H new ATOM 727 N SER A 865 -19.935 -21.552 -21.633 1.00 0.58 N ATOM 728 CA SER A 865 -20.777 -21.706 -20.457 1.00 0.67 C ATOM 729 C SER A 865 -19.922 -21.904 -19.212 1.00 0.66 C ATOM 730 O SER A 865 -20.276 -21.448 -18.125 1.00 0.77 O ATOM 731 CB SER A 865 -21.740 -22.883 -20.631 1.00 0.75 C ATOM 732 OG SER A 865 -21.304 -23.759 -21.657 1.00 0.82 O ATOM 0 H SER A 865 -19.861 -22.385 -22.218 1.00 0.58 H new ATOM 0 HA SER A 865 -21.364 -20.795 -20.337 1.00 0.67 H new ATOM 0 HB2 SER A 865 -21.821 -23.431 -19.692 1.00 0.75 H new ATOM 0 HB3 SER A 865 -22.736 -22.509 -20.868 1.00 0.75 H new ATOM 0 HG SER A 865 -21.411 -23.322 -22.528 1.00 0.82 H new ATOM 738 N LYS A 866 -18.792 -22.582 -19.384 1.00 0.61 N ATOM 739 CA LYS A 866 -17.866 -22.814 -18.283 1.00 0.66 C ATOM 740 C LYS A 866 -17.254 -21.501 -17.799 1.00 0.66 C ATOM 741 O LYS A 866 -17.362 -21.149 -16.624 1.00 0.83 O ATOM 742 CB LYS A 866 -16.759 -23.776 -18.719 1.00 0.73 C ATOM 743 CG LYS A 866 -16.499 -24.894 -17.723 1.00 1.12 C ATOM 744 CD LYS A 866 -17.118 -26.204 -18.186 1.00 1.85 C ATOM 745 CE LYS A 866 -18.473 -26.443 -17.540 1.00 2.63 C ATOM 746 NZ LYS A 866 -18.369 -26.587 -16.065 1.00 3.46 N ATOM 0 H LYS A 866 -18.496 -22.980 -20.275 1.00 0.61 H new ATOM 0 HA LYS A 866 -18.423 -23.259 -17.458 1.00 0.66 H new ATOM 0 HB2 LYS A 866 -17.026 -24.213 -19.681 1.00 0.73 H new ATOM 0 HB3 LYS A 866 -15.838 -23.213 -18.869 1.00 0.73 H new ATOM 0 HG2 LYS A 866 -15.425 -25.024 -17.591 1.00 1.12 H new ATOM 0 HG3 LYS A 866 -16.908 -24.620 -16.751 1.00 1.12 H new ATOM 0 HD2 LYS A 866 -17.229 -26.191 -19.270 1.00 1.85 H new ATOM 0 HD3 LYS A 866 -16.448 -27.029 -17.943 1.00 1.85 H new ATOM 0 HE2 LYS A 866 -19.139 -25.613 -17.777 1.00 2.63 H new ATOM 0 HE3 LYS A 866 -18.922 -27.343 -17.961 1.00 2.63 H new ATOM 0 HZ1 LYS A 866 -19.134 -27.202 -15.721 1.00 3.46 H new ATOM 0 HZ2 LYS A 866 -17.450 -27.009 -15.821 1.00 3.46 H new ATOM 0 HZ3 LYS A 866 -18.449 -25.651 -15.618 1.00 3.46 H new ATOM 760 N ASN A 867 -16.631 -20.772 -18.711 1.00 0.61 N ATOM 761 CA ASN A 867 -15.960 -19.523 -18.375 1.00 0.68 C ATOM 762 C ASN A 867 -16.370 -18.435 -19.357 1.00 0.76 C ATOM 763 O ASN A 867 -16.455 -18.679 -20.560 1.00 1.40 O ATOM 764 CB ASN A 867 -14.440 -19.717 -18.400 1.00 0.77 C ATOM 765 CG ASN A 867 -13.674 -18.445 -18.080 1.00 1.08 C ATOM 766 OD1 ASN A 867 -13.482 -18.098 -16.913 1.00 1.86 O ATOM 767 ND2 ASN A 867 -13.224 -17.747 -19.111 1.00 1.40 N ATOM 0 H ASN A 867 -16.575 -21.025 -19.698 1.00 0.61 H new ATOM 0 HA ASN A 867 -16.255 -19.220 -17.370 1.00 0.68 H new ATOM 0 HB2 ASN A 867 -14.166 -20.490 -17.682 1.00 0.77 H new ATOM 0 HB3 ASN A 867 -14.141 -20.076 -19.385 1.00 0.77 H new ATOM 0 HD21 ASN A 867 -12.697 -16.888 -18.954 1.00 1.40 H new ATOM 0 HD22 ASN A 867 -13.404 -18.068 -20.062 1.00 1.40 H new ATOM 774 N HIS A 868 -16.621 -17.237 -18.853 1.00 0.78 N ATOM 775 CA HIS A 868 -17.084 -16.149 -19.698 1.00 0.81 C ATOM 776 C HIS A 868 -15.942 -15.546 -20.505 1.00 0.89 C ATOM 777 O HIS A 868 -15.241 -14.646 -20.045 1.00 1.90 O ATOM 778 CB HIS A 868 -17.776 -15.052 -18.877 1.00 1.06 C ATOM 779 CG HIS A 868 -18.217 -13.881 -19.710 1.00 1.68 C ATOM 780 ND1 HIS A 868 -19.203 -13.970 -20.665 1.00 2.38 N ATOM 781 CD2 HIS A 868 -17.762 -12.608 -19.763 1.00 2.48 C ATOM 782 CE1 HIS A 868 -19.337 -12.801 -21.266 1.00 3.08 C ATOM 783 NE2 HIS A 868 -18.469 -11.953 -20.742 1.00 3.12 N ATOM 0 H HIS A 868 -16.512 -16.995 -17.868 1.00 0.78 H new ATOM 0 HA HIS A 868 -17.812 -16.575 -20.389 1.00 0.81 H new ATOM 0 HB2 HIS A 868 -18.643 -15.477 -18.371 1.00 1.06 H new ATOM 0 HB3 HIS A 868 -17.094 -14.702 -18.102 1.00 1.06 H new ATOM 0 HD2 HIS A 868 -16.983 -12.183 -19.147 1.00 2.48 H new ATOM 0 HE1 HIS A 868 -20.039 -12.576 -22.055 1.00 3.08 H new ATOM 0 HE2 HIS A 868 -18.345 -10.979 -21.017 1.00 3.12 H new ATOM 792 N ILE A 869 -15.757 -16.063 -21.704 1.00 0.51 N ATOM 793 CA ILE A 869 -14.906 -15.416 -22.684 1.00 0.41 C ATOM 794 C ILE A 869 -15.695 -14.272 -23.308 1.00 0.46 C ATOM 795 O ILE A 869 -16.904 -14.391 -23.502 1.00 0.68 O ATOM 796 CB ILE A 869 -14.442 -16.405 -23.770 1.00 0.45 C ATOM 797 CG1 ILE A 869 -14.005 -17.725 -23.131 1.00 0.74 C ATOM 798 CG2 ILE A 869 -13.304 -15.810 -24.577 1.00 0.82 C ATOM 799 CD1 ILE A 869 -14.858 -18.906 -23.532 1.00 1.06 C ATOM 0 H ILE A 869 -16.186 -16.932 -22.024 1.00 0.51 H new ATOM 0 HA ILE A 869 -14.008 -15.039 -22.194 1.00 0.41 H new ATOM 0 HB ILE A 869 -15.278 -16.600 -24.442 1.00 0.45 H new ATOM 0 HG12 ILE A 869 -12.970 -17.926 -23.406 1.00 0.74 H new ATOM 0 HG13 ILE A 869 -14.032 -17.620 -22.046 1.00 0.74 H new ATOM 0 HG21 ILE A 869 -12.988 -16.522 -25.340 1.00 0.82 H new ATOM 0 HG22 ILE A 869 -13.640 -14.890 -25.056 1.00 0.82 H new ATOM 0 HG23 ILE A 869 -12.465 -15.590 -23.916 1.00 0.82 H new ATOM 0 HD11 ILE A 869 -14.488 -19.806 -23.040 1.00 1.06 H new ATOM 0 HD12 ILE A 869 -15.891 -18.727 -23.233 1.00 1.06 H new ATOM 0 HD13 ILE A 869 -14.811 -19.038 -24.613 1.00 1.06 H new ATOM 811 N ASP A 870 -15.032 -13.164 -23.602 1.00 0.41 N ATOM 812 CA ASP A 870 -15.749 -11.951 -23.986 1.00 0.48 C ATOM 813 C ASP A 870 -15.907 -11.822 -25.498 1.00 0.44 C ATOM 814 O ASP A 870 -16.838 -11.173 -25.973 1.00 0.56 O ATOM 815 CB ASP A 870 -15.054 -10.715 -23.414 1.00 0.58 C ATOM 816 CG ASP A 870 -15.896 -10.035 -22.351 1.00 1.07 C ATOM 817 OD1 ASP A 870 -17.117 -10.296 -22.285 1.00 1.48 O ATOM 818 OD2 ASP A 870 -15.343 -9.234 -21.566 1.00 1.64 O ATOM 0 H ASP A 870 -14.016 -13.076 -23.584 1.00 0.41 H new ATOM 0 HA ASP A 870 -16.751 -12.025 -23.565 1.00 0.48 H new ATOM 0 HB2 ASP A 870 -14.093 -11.003 -22.987 1.00 0.58 H new ATOM 0 HB3 ASP A 870 -14.846 -10.010 -24.219 1.00 0.58 H new ATOM 823 N ILE A 871 -15.002 -12.432 -26.252 1.00 0.38 N ATOM 824 CA ILE A 871 -15.088 -12.412 -27.711 1.00 0.39 C ATOM 825 C ILE A 871 -14.954 -13.826 -28.267 1.00 0.36 C ATOM 826 O ILE A 871 -13.990 -14.532 -27.954 1.00 0.37 O ATOM 827 CB ILE A 871 -13.995 -11.506 -28.334 1.00 0.46 C ATOM 828 CG1 ILE A 871 -14.253 -10.031 -27.997 1.00 0.53 C ATOM 829 CG2 ILE A 871 -13.918 -11.703 -29.846 1.00 0.74 C ATOM 830 CD1 ILE A 871 -15.454 -9.443 -28.706 1.00 1.03 C ATOM 0 H ILE A 871 -14.202 -12.945 -25.882 1.00 0.38 H new ATOM 0 HA ILE A 871 -16.063 -12.004 -27.976 1.00 0.39 H new ATOM 0 HB ILE A 871 -13.036 -11.795 -27.904 1.00 0.46 H new ATOM 0 HG12 ILE A 871 -14.395 -9.933 -26.921 1.00 0.53 H new ATOM 0 HG13 ILE A 871 -13.369 -9.449 -28.256 1.00 0.53 H new ATOM 0 HG21 ILE A 871 -13.144 -11.056 -30.258 1.00 0.74 H new ATOM 0 HG22 ILE A 871 -13.677 -12.743 -30.066 1.00 0.74 H new ATOM 0 HG23 ILE A 871 -14.879 -11.451 -30.295 1.00 0.74 H new ATOM 0 HD11 ILE A 871 -15.572 -8.399 -28.417 1.00 1.03 H new ATOM 0 HD12 ILE A 871 -15.307 -9.507 -29.784 1.00 1.03 H new ATOM 0 HD13 ILE A 871 -16.349 -9.999 -28.428 1.00 1.03 H new ATOM 842 N VAL A 872 -15.918 -14.247 -29.079 1.00 0.38 N ATOM 843 CA VAL A 872 -15.868 -15.579 -29.669 1.00 0.40 C ATOM 844 C VAL A 872 -15.321 -15.525 -31.088 1.00 0.41 C ATOM 845 O VAL A 872 -15.852 -14.812 -31.935 1.00 0.46 O ATOM 846 CB VAL A 872 -17.256 -16.256 -29.699 1.00 0.49 C ATOM 847 CG1 VAL A 872 -17.126 -17.733 -30.045 1.00 0.59 C ATOM 848 CG2 VAL A 872 -17.973 -16.084 -28.371 1.00 0.67 C ATOM 0 H VAL A 872 -16.733 -13.693 -29.341 1.00 0.38 H new ATOM 0 HA VAL A 872 -15.205 -16.170 -29.037 1.00 0.40 H new ATOM 0 HB VAL A 872 -17.850 -15.770 -30.473 1.00 0.49 H new ATOM 0 HG11 VAL A 872 -18.115 -18.191 -30.061 1.00 0.59 H new ATOM 0 HG12 VAL A 872 -16.662 -17.837 -31.026 1.00 0.59 H new ATOM 0 HG13 VAL A 872 -16.508 -18.229 -29.296 1.00 0.59 H new ATOM 0 HG21 VAL A 872 -18.948 -16.570 -28.418 1.00 0.67 H new ATOM 0 HG22 VAL A 872 -17.380 -16.537 -27.576 1.00 0.67 H new ATOM 0 HG23 VAL A 872 -18.106 -15.022 -28.164 1.00 0.67 H new ATOM 858 N LEU A 873 -14.253 -16.271 -31.336 1.00 0.41 N ATOM 859 CA LEU A 873 -13.700 -16.403 -32.678 1.00 0.44 C ATOM 860 C LEU A 873 -13.700 -17.869 -33.097 1.00 0.42 C ATOM 861 O LEU A 873 -12.800 -18.627 -32.731 1.00 0.50 O ATOM 862 CB LEU A 873 -12.265 -15.858 -32.733 1.00 0.52 C ATOM 863 CG LEU A 873 -12.139 -14.339 -32.851 1.00 0.51 C ATOM 864 CD1 LEU A 873 -10.678 -13.925 -32.765 1.00 0.78 C ATOM 865 CD2 LEU A 873 -12.755 -13.852 -34.153 1.00 0.87 C ATOM 0 H LEU A 873 -13.750 -16.797 -30.621 1.00 0.41 H new ATOM 0 HA LEU A 873 -14.322 -15.825 -33.362 1.00 0.44 H new ATOM 0 HB2 LEU A 873 -11.739 -16.179 -31.834 1.00 0.52 H new ATOM 0 HB3 LEU A 873 -11.755 -16.314 -33.581 1.00 0.52 H new ATOM 0 HG LEU A 873 -12.680 -13.880 -32.024 1.00 0.51 H new ATOM 0 HD11 LEU A 873 -10.601 -12.841 -32.850 1.00 0.78 H new ATOM 0 HD12 LEU A 873 -10.265 -14.244 -31.808 1.00 0.78 H new ATOM 0 HD13 LEU A 873 -10.119 -14.393 -33.575 1.00 0.78 H new ATOM 0 HD21 LEU A 873 -12.656 -12.769 -34.219 1.00 0.87 H new ATOM 0 HD22 LEU A 873 -12.241 -14.316 -34.995 1.00 0.87 H new ATOM 0 HD23 LEU A 873 -13.811 -14.122 -34.179 1.00 0.87 H new ATOM 877 N SER A 874 -14.700 -18.277 -33.864 1.00 0.38 N ATOM 878 CA SER A 874 -14.774 -19.658 -34.313 1.00 0.40 C ATOM 879 C SER A 874 -14.077 -19.802 -35.658 1.00 0.33 C ATOM 880 O SER A 874 -14.606 -19.400 -36.694 1.00 0.34 O ATOM 881 CB SER A 874 -16.225 -20.128 -34.400 1.00 0.53 C ATOM 882 OG SER A 874 -17.002 -19.236 -35.181 1.00 0.73 O ATOM 0 H SER A 874 -15.462 -17.680 -34.185 1.00 0.38 H new ATOM 0 HA SER A 874 -14.266 -20.289 -33.584 1.00 0.40 H new ATOM 0 HB2 SER A 874 -16.262 -21.126 -34.837 1.00 0.53 H new ATOM 0 HB3 SER A 874 -16.648 -20.202 -33.398 1.00 0.53 H new ATOM 0 HG SER A 874 -17.817 -18.998 -34.692 1.00 0.73 H new ATOM 888 N ASP A 875 -12.886 -20.359 -35.623 1.00 0.40 N ATOM 889 CA ASP A 875 -12.068 -20.512 -36.807 1.00 0.44 C ATOM 890 C ASP A 875 -12.413 -21.818 -37.520 1.00 0.48 C ATOM 891 O ASP A 875 -12.026 -22.909 -37.086 1.00 0.55 O ATOM 892 CB ASP A 875 -10.598 -20.481 -36.396 1.00 0.59 C ATOM 893 CG ASP A 875 -9.690 -20.079 -37.528 1.00 0.92 C ATOM 894 OD1 ASP A 875 -10.131 -19.309 -38.408 1.00 1.19 O ATOM 895 OD2 ASP A 875 -8.524 -20.495 -37.522 1.00 1.34 O ATOM 0 H ASP A 875 -12.456 -20.719 -34.771 1.00 0.40 H new ATOM 0 HA ASP A 875 -12.260 -19.695 -37.502 1.00 0.44 H new ATOM 0 HB2 ASP A 875 -10.471 -19.784 -35.568 1.00 0.59 H new ATOM 0 HB3 ASP A 875 -10.305 -21.466 -36.032 1.00 0.59 H new ATOM 900 N VAL A 876 -13.127 -21.698 -38.632 1.00 0.57 N ATOM 901 CA VAL A 876 -13.690 -22.854 -39.317 1.00 0.68 C ATOM 902 C VAL A 876 -12.945 -23.143 -40.613 1.00 0.80 C ATOM 903 O VAL A 876 -12.903 -22.312 -41.520 1.00 1.07 O ATOM 904 CB VAL A 876 -15.188 -22.646 -39.631 1.00 0.77 C ATOM 905 CG1 VAL A 876 -15.800 -23.916 -40.202 1.00 1.29 C ATOM 906 CG2 VAL A 876 -15.942 -22.204 -38.386 1.00 1.03 C ATOM 0 H VAL A 876 -13.331 -20.805 -39.081 1.00 0.57 H new ATOM 0 HA VAL A 876 -13.582 -23.704 -38.644 1.00 0.68 H new ATOM 0 HB VAL A 876 -15.271 -21.859 -40.380 1.00 0.77 H new ATOM 0 HG11 VAL A 876 -16.855 -23.747 -40.416 1.00 1.29 H new ATOM 0 HG12 VAL A 876 -15.282 -24.188 -41.122 1.00 1.29 H new ATOM 0 HG13 VAL A 876 -15.702 -24.725 -39.478 1.00 1.29 H new ATOM 0 HG21 VAL A 876 -16.995 -22.063 -38.629 1.00 1.03 H new ATOM 0 HG22 VAL A 876 -15.847 -22.967 -37.613 1.00 1.03 H new ATOM 0 HG23 VAL A 876 -15.525 -21.265 -38.022 1.00 1.03 H new ATOM 1011 N TYR A 884 -20.743 -23.740 -40.576 1.00 1.69 N ATOM 1012 CA TYR A 884 -21.717 -22.675 -40.296 1.00 1.56 C ATOM 1013 C TYR A 884 -22.806 -23.155 -39.337 1.00 1.24 C ATOM 1014 O TYR A 884 -23.375 -22.391 -38.527 1.00 1.24 O ATOM 1015 CB TYR A 884 -22.362 -22.239 -41.612 1.00 1.85 C ATOM 1016 CG TYR A 884 -23.028 -23.377 -42.374 1.00 1.85 C ATOM 1017 CD1 TYR A 884 -22.287 -24.249 -43.168 1.00 1.99 C ATOM 1018 CD2 TYR A 884 -24.402 -23.571 -42.299 1.00 2.07 C ATOM 1019 CE1 TYR A 884 -22.899 -25.279 -43.862 1.00 2.24 C ATOM 1020 CE2 TYR A 884 -25.021 -24.596 -42.987 1.00 2.36 C ATOM 1021 CZ TYR A 884 -24.269 -25.447 -43.766 1.00 2.40 C ATOM 1022 OH TYR A 884 -24.889 -26.471 -44.452 1.00 2.84 O ATOM 0 HA TYR A 884 -21.195 -21.841 -39.827 1.00 1.56 H new ATOM 0 HB2 TYR A 884 -23.105 -21.469 -41.405 1.00 1.85 H new ATOM 0 HB3 TYR A 884 -21.601 -21.785 -42.247 1.00 1.85 H new ATOM 0 HD1 TYR A 884 -21.217 -24.120 -43.244 1.00 1.99 H new ATOM 0 HD2 TYR A 884 -24.998 -22.907 -41.690 1.00 2.07 H new ATOM 0 HE1 TYR A 884 -22.311 -25.947 -44.474 1.00 2.24 H new ATOM 0 HE2 TYR A 884 -26.090 -24.730 -42.914 1.00 2.36 H new ATOM 0 HH TYR A 884 -25.852 -26.448 -44.274 1.00 2.84 H new ATOM 1032 N ARG A 885 -23.082 -24.435 -39.416 1.00 1.14 N ATOM 1033 CA ARG A 885 -24.111 -25.032 -38.612 1.00 1.03 C ATOM 1034 C ARG A 885 -23.853 -24.737 -37.127 1.00 0.90 C ATOM 1035 O ARG A 885 -24.779 -24.623 -36.327 1.00 0.84 O ATOM 1036 CB ARG A 885 -24.184 -26.533 -38.884 1.00 1.24 C ATOM 1037 CG ARG A 885 -25.540 -27.136 -38.581 1.00 1.61 C ATOM 1038 CD ARG A 885 -25.776 -27.167 -37.088 1.00 1.94 C ATOM 1039 NE ARG A 885 -25.087 -28.289 -36.457 1.00 2.47 N ATOM 1040 CZ ARG A 885 -25.553 -28.984 -35.425 1.00 2.81 C ATOM 1041 NH1 ARG A 885 -26.777 -28.758 -34.964 1.00 3.10 N ATOM 1042 NH2 ARG A 885 -24.796 -29.929 -34.880 1.00 3.36 N ATOM 0 H ARG A 885 -22.600 -25.085 -40.037 1.00 1.14 H new ATOM 0 HA ARG A 885 -25.076 -24.600 -38.876 1.00 1.03 H new ATOM 0 HB2 ARG A 885 -23.939 -26.717 -39.930 1.00 1.24 H new ATOM 0 HB3 ARG A 885 -23.428 -27.040 -38.285 1.00 1.24 H new ATOM 0 HG2 ARG A 885 -26.322 -26.554 -39.068 1.00 1.61 H new ATOM 0 HG3 ARG A 885 -25.596 -28.146 -38.986 1.00 1.61 H new ATOM 0 HD2 ARG A 885 -25.431 -26.232 -36.645 1.00 1.94 H new ATOM 0 HD3 ARG A 885 -26.845 -27.238 -36.890 1.00 1.94 H new ATOM 0 HE ARG A 885 -24.180 -28.560 -36.837 1.00 2.47 H new ATOM 0 HH11 ARG A 885 -27.364 -28.048 -35.402 1.00 3.10 H new ATOM 0 HH12 ARG A 885 -27.131 -29.294 -34.171 1.00 3.10 H new ATOM 0 HH21 ARG A 885 -23.866 -30.116 -35.254 1.00 3.36 H new ATOM 0 HH22 ARG A 885 -25.145 -30.468 -34.087 1.00 3.36 H new ATOM 1056 N LEU A 886 -22.584 -24.573 -36.775 1.00 0.97 N ATOM 1057 CA LEU A 886 -22.194 -24.337 -35.388 1.00 0.97 C ATOM 1058 C LEU A 886 -22.777 -23.016 -34.910 1.00 0.82 C ATOM 1059 O LEU A 886 -23.052 -22.832 -33.724 1.00 0.79 O ATOM 1060 CB LEU A 886 -20.649 -24.414 -35.220 1.00 1.21 C ATOM 1061 CG LEU A 886 -19.797 -23.108 -35.216 1.00 1.54 C ATOM 1062 CD1 LEU A 886 -20.075 -22.214 -36.412 1.00 1.90 C ATOM 1063 CD2 LEU A 886 -19.962 -22.329 -33.919 1.00 2.34 C ATOM 0 H LEU A 886 -21.804 -24.599 -37.432 1.00 0.97 H new ATOM 0 HA LEU A 886 -22.604 -25.124 -34.756 1.00 0.97 H new ATOM 0 HB2 LEU A 886 -20.451 -24.933 -34.282 1.00 1.21 H new ATOM 0 HB3 LEU A 886 -20.267 -25.047 -36.021 1.00 1.21 H new ATOM 0 HG LEU A 886 -18.760 -23.434 -35.293 1.00 1.54 H new ATOM 0 HD11 LEU A 886 -19.452 -21.322 -36.352 1.00 1.90 H new ATOM 0 HD12 LEU A 886 -19.848 -22.754 -37.331 1.00 1.90 H new ATOM 0 HD13 LEU A 886 -21.126 -21.923 -36.413 1.00 1.90 H new ATOM 0 HD21 LEU A 886 -19.352 -21.426 -33.957 1.00 2.34 H new ATOM 0 HD22 LEU A 886 -21.009 -22.054 -33.790 1.00 2.34 H new ATOM 0 HD23 LEU A 886 -19.643 -22.948 -33.080 1.00 2.34 H new ATOM 1075 N THR A 887 -23.029 -22.134 -35.861 1.00 0.80 N ATOM 1076 CA THR A 887 -23.585 -20.830 -35.575 1.00 0.77 C ATOM 1077 C THR A 887 -25.027 -21.013 -35.176 1.00 0.66 C ATOM 1078 O THR A 887 -25.572 -20.271 -34.358 1.00 0.65 O ATOM 1079 CB THR A 887 -23.512 -19.907 -36.802 1.00 0.94 C ATOM 1080 OG1 THR A 887 -22.376 -20.238 -37.604 1.00 1.28 O ATOM 1081 CG2 THR A 887 -23.426 -18.459 -36.400 1.00 1.09 C ATOM 0 H THR A 887 -22.853 -22.304 -36.851 1.00 0.80 H new ATOM 0 HA THR A 887 -23.010 -20.367 -34.773 1.00 0.77 H new ATOM 0 HB THR A 887 -24.427 -20.055 -37.376 1.00 0.94 H new ATOM 0 HG1 THR A 887 -22.657 -20.810 -38.349 1.00 1.28 H new ATOM 0 HG21 THR A 887 -23.376 -17.836 -37.293 1.00 1.09 H new ATOM 0 HG22 THR A 887 -24.308 -18.190 -35.819 1.00 1.09 H new ATOM 0 HG23 THR A 887 -22.532 -18.301 -35.797 1.00 1.09 H new ATOM 1089 N GLN A 888 -25.632 -22.040 -35.755 1.00 0.66 N ATOM 1090 CA GLN A 888 -27.010 -22.386 -35.407 1.00 0.66 C ATOM 1091 C GLN A 888 -27.092 -22.850 -33.959 1.00 0.63 C ATOM 1092 O GLN A 888 -27.998 -22.461 -33.221 1.00 0.65 O ATOM 1093 CB GLN A 888 -27.544 -23.478 -36.321 1.00 0.77 C ATOM 1094 CG GLN A 888 -29.012 -23.792 -36.110 1.00 1.06 C ATOM 1095 CD GLN A 888 -29.301 -25.274 -36.216 1.00 1.38 C ATOM 1096 OE1 GLN A 888 -29.992 -25.846 -35.372 1.00 2.17 O ATOM 1097 NE2 GLN A 888 -28.774 -25.906 -37.253 1.00 1.84 N ATOM 0 H GLN A 888 -25.202 -22.642 -36.457 1.00 0.66 H new ATOM 0 HA GLN A 888 -27.621 -21.492 -35.534 1.00 0.66 H new ATOM 0 HB2 GLN A 888 -27.392 -23.177 -37.358 1.00 0.77 H new ATOM 0 HB3 GLN A 888 -26.962 -24.386 -36.164 1.00 0.77 H new ATOM 0 HG2 GLN A 888 -29.321 -23.433 -35.128 1.00 1.06 H new ATOM 0 HG3 GLN A 888 -29.607 -23.254 -36.848 1.00 1.06 H new ATOM 0 HE21 GLN A 888 -28.208 -25.393 -37.929 1.00 1.84 H new ATOM 0 HE22 GLN A 888 -28.934 -26.906 -37.376 1.00 1.84 H new ATOM 1106 N ARG A 889 -26.143 -23.690 -33.564 1.00 0.64 N ATOM 1107 CA ARG A 889 -26.066 -24.172 -32.192 1.00 0.66 C ATOM 1108 C ARG A 889 -25.872 -23.002 -31.228 1.00 0.63 C ATOM 1109 O ARG A 889 -26.451 -22.980 -30.143 1.00 0.67 O ATOM 1110 CB ARG A 889 -24.920 -25.184 -32.044 1.00 0.71 C ATOM 1111 CG ARG A 889 -25.117 -26.210 -30.930 1.00 0.94 C ATOM 1112 CD ARG A 889 -26.548 -26.231 -30.406 1.00 1.02 C ATOM 1113 NE ARG A 889 -27.271 -27.434 -30.814 1.00 1.36 N ATOM 1114 CZ ARG A 889 -28.592 -27.581 -30.697 1.00 1.67 C ATOM 1115 NH1 ARG A 889 -29.315 -26.645 -30.098 1.00 2.05 N ATOM 1116 NH2 ARG A 889 -29.179 -28.682 -31.148 1.00 2.36 N ATOM 0 H ARG A 889 -25.414 -24.052 -34.178 1.00 0.64 H new ATOM 0 HA ARG A 889 -27.003 -24.672 -31.946 1.00 0.66 H new ATOM 0 HB2 ARG A 889 -24.796 -25.713 -32.989 1.00 0.71 H new ATOM 0 HB3 ARG A 889 -23.994 -24.640 -31.859 1.00 0.71 H new ATOM 0 HG2 ARG A 889 -24.854 -27.201 -31.301 1.00 0.94 H new ATOM 0 HG3 ARG A 889 -24.436 -25.986 -30.109 1.00 0.94 H new ATOM 0 HD2 ARG A 889 -26.535 -26.169 -29.318 1.00 1.02 H new ATOM 0 HD3 ARG A 889 -27.078 -25.351 -30.769 1.00 1.02 H new ATOM 0 HE ARG A 889 -26.735 -28.206 -31.211 1.00 1.36 H new ATOM 0 HH11 ARG A 889 -28.862 -25.811 -29.726 1.00 2.05 H new ATOM 0 HH12 ARG A 889 -30.325 -26.759 -30.010 1.00 2.05 H new ATOM 0 HH21 ARG A 889 -28.620 -29.416 -31.584 1.00 2.36 H new ATOM 0 HH22 ARG A 889 -30.189 -28.795 -31.059 1.00 2.36 H new ATOM 1130 N ILE A 890 -25.066 -22.028 -31.645 1.00 0.61 N ATOM 1131 CA ILE A 890 -24.835 -20.821 -30.859 1.00 0.63 C ATOM 1132 C ILE A 890 -26.143 -20.069 -30.611 1.00 0.62 C ATOM 1133 O ILE A 890 -26.474 -19.731 -29.471 1.00 0.67 O ATOM 1134 CB ILE A 890 -23.839 -19.878 -31.567 1.00 0.69 C ATOM 1135 CG1 ILE A 890 -22.470 -20.543 -31.702 1.00 1.22 C ATOM 1136 CG2 ILE A 890 -23.718 -18.568 -30.813 1.00 0.71 C ATOM 1137 CD1 ILE A 890 -21.427 -19.657 -32.346 1.00 1.71 C ATOM 0 H ILE A 890 -24.559 -22.053 -32.530 1.00 0.61 H new ATOM 0 HA ILE A 890 -24.414 -21.136 -29.904 1.00 0.63 H new ATOM 0 HB ILE A 890 -24.220 -19.668 -32.567 1.00 0.69 H new ATOM 0 HG12 ILE A 890 -22.121 -20.841 -30.713 1.00 1.22 H new ATOM 0 HG13 ILE A 890 -22.575 -21.454 -32.291 1.00 1.22 H new ATOM 0 HG21 ILE A 890 -23.012 -17.916 -31.327 1.00 0.71 H new ATOM 0 HG22 ILE A 890 -24.693 -18.083 -30.768 1.00 0.71 H new ATOM 0 HG23 ILE A 890 -23.362 -18.762 -29.801 1.00 0.71 H new ATOM 0 HD11 ILE A 890 -20.481 -20.195 -32.409 1.00 1.71 H new ATOM 0 HD12 ILE A 890 -21.754 -19.380 -33.348 1.00 1.71 H new ATOM 0 HD13 ILE A 890 -21.293 -18.757 -31.746 1.00 1.71 H new ATOM 1149 N ARG A 891 -26.887 -19.822 -31.685 1.00 0.61 N ATOM 1150 CA ARG A 891 -28.150 -19.097 -31.594 1.00 0.67 C ATOM 1151 C ARG A 891 -29.161 -19.870 -30.749 1.00 0.72 C ATOM 1152 O ARG A 891 -29.878 -19.288 -29.936 1.00 0.80 O ATOM 1153 CB ARG A 891 -28.717 -18.836 -32.998 1.00 0.73 C ATOM 1154 CG ARG A 891 -30.226 -18.996 -33.097 1.00 0.95 C ATOM 1155 CD ARG A 891 -30.867 -17.871 -33.892 1.00 1.10 C ATOM 1156 NE ARG A 891 -32.253 -18.174 -34.228 1.00 1.37 N ATOM 1157 CZ ARG A 891 -32.619 -18.951 -35.245 1.00 1.59 C ATOM 1158 NH1 ARG A 891 -31.702 -19.439 -36.077 1.00 1.97 N ATOM 1159 NH2 ARG A 891 -33.902 -19.228 -35.435 1.00 2.24 N ATOM 0 H ARG A 891 -26.637 -20.114 -32.630 1.00 0.61 H new ATOM 0 HA ARG A 891 -27.960 -18.140 -31.108 1.00 0.67 H new ATOM 0 HB2 ARG A 891 -28.449 -17.825 -33.305 1.00 0.73 H new ATOM 0 HB3 ARG A 891 -28.243 -19.519 -33.703 1.00 0.73 H new ATOM 0 HG2 ARG A 891 -30.459 -19.951 -33.568 1.00 0.95 H new ATOM 0 HG3 ARG A 891 -30.654 -19.022 -32.095 1.00 0.95 H new ATOM 0 HD2 ARG A 891 -30.825 -16.947 -33.315 1.00 1.10 H new ATOM 0 HD3 ARG A 891 -30.299 -17.701 -34.807 1.00 1.10 H new ATOM 0 HE ARG A 891 -32.987 -17.766 -33.649 1.00 1.37 H new ATOM 0 HH11 ARG A 891 -30.716 -19.218 -35.936 1.00 1.97 H new ATOM 0 HH12 ARG A 891 -31.985 -20.034 -36.856 1.00 1.97 H new ATOM 0 HH21 ARG A 891 -34.605 -18.846 -34.803 1.00 2.24 H new ATOM 0 HH22 ARG A 891 -34.185 -19.823 -36.213 1.00 2.24 H new ATOM 1173 N GLN A 892 -29.206 -21.183 -30.945 1.00 0.74 N ATOM 1174 CA GLN A 892 -30.148 -22.034 -30.232 1.00 0.84 C ATOM 1175 C GLN A 892 -29.814 -22.081 -28.746 1.00 0.87 C ATOM 1176 O GLN A 892 -30.699 -22.236 -27.903 1.00 0.99 O ATOM 1177 CB GLN A 892 -30.138 -23.445 -30.821 1.00 0.91 C ATOM 1178 CG GLN A 892 -31.359 -23.766 -31.671 1.00 1.23 C ATOM 1179 CD GLN A 892 -31.731 -22.645 -32.625 1.00 1.87 C ATOM 1180 OE1 GLN A 892 -30.902 -22.419 -33.630 1.00 2.62 O flip ATOM 1181 NE2 GLN A 892 -32.757 -21.989 -32.463 1.00 2.39 N flip ATOM 0 H GLN A 892 -28.598 -21.682 -31.595 1.00 0.74 H new ATOM 0 HA GLN A 892 -31.146 -21.612 -30.347 1.00 0.84 H new ATOM 0 HB2 GLN A 892 -29.242 -23.568 -31.429 1.00 0.91 H new ATOM 0 HB3 GLN A 892 -30.073 -24.168 -30.007 1.00 0.91 H new ATOM 0 HG2 GLN A 892 -31.168 -24.674 -32.243 1.00 1.23 H new ATOM 0 HG3 GLN A 892 -32.205 -23.974 -31.017 1.00 1.23 H new ATOM 0 HE21 GLN A 892 -33.373 -22.192 -31.676 1.00 2.39 H new ATOM 0 HE22 GLN A 892 -32.993 -21.242 -33.116 1.00 2.39 H new ATOM 1190 N LEU A 893 -28.531 -21.951 -28.434 1.00 0.81 N ATOM 1191 CA LEU A 893 -28.084 -21.886 -27.053 1.00 0.87 C ATOM 1192 C LEU A 893 -28.520 -20.566 -26.429 1.00 0.88 C ATOM 1193 O LEU A 893 -29.207 -20.544 -25.407 1.00 1.05 O ATOM 1194 CB LEU A 893 -26.560 -22.032 -26.979 1.00 0.90 C ATOM 1195 CG LEU A 893 -25.951 -21.842 -25.588 1.00 1.12 C ATOM 1196 CD1 LEU A 893 -25.504 -23.179 -25.014 1.00 1.48 C ATOM 1197 CD2 LEU A 893 -24.784 -20.866 -25.648 1.00 1.91 C ATOM 0 H LEU A 893 -27.781 -21.889 -29.123 1.00 0.81 H new ATOM 0 HA LEU A 893 -28.537 -22.707 -26.496 1.00 0.87 H new ATOM 0 HB2 LEU A 893 -26.288 -23.022 -27.344 1.00 0.90 H new ATOM 0 HB3 LEU A 893 -26.109 -21.308 -27.657 1.00 0.90 H new ATOM 0 HG LEU A 893 -26.714 -21.426 -24.930 1.00 1.12 H new ATOM 0 HD11 LEU A 893 -25.073 -23.025 -24.025 1.00 1.48 H new ATOM 0 HD12 LEU A 893 -26.362 -23.847 -24.936 1.00 1.48 H new ATOM 0 HD13 LEU A 893 -24.756 -23.625 -25.670 1.00 1.48 H new ATOM 0 HD21 LEU A 893 -24.362 -20.742 -24.651 1.00 1.91 H new ATOM 0 HD22 LEU A 893 -24.019 -21.255 -26.320 1.00 1.91 H new ATOM 0 HD23 LEU A 893 -25.135 -19.902 -26.016 1.00 1.91 H new ATOM 1209 N GLY A 894 -28.136 -19.473 -27.066 1.00 0.82 N ATOM 1210 CA GLY A 894 -28.485 -18.164 -26.563 1.00 0.87 C ATOM 1211 C GLY A 894 -27.264 -17.303 -26.335 1.00 0.82 C ATOM 1212 O GLY A 894 -26.866 -17.065 -25.195 1.00 1.12 O ATOM 0 H GLY A 894 -27.587 -19.469 -27.926 1.00 0.82 H new ATOM 0 HA2 GLY A 894 -29.151 -17.669 -27.270 1.00 0.87 H new ATOM 0 HA3 GLY A 894 -29.035 -18.269 -25.628 1.00 0.87 H new ATOM 1216 N LEU A 895 -26.659 -16.849 -27.423 1.00 0.75 N ATOM 1217 CA LEU A 895 -25.476 -16.005 -27.345 1.00 0.81 C ATOM 1218 C LEU A 895 -25.824 -14.643 -26.755 1.00 0.85 C ATOM 1219 O LEU A 895 -26.844 -14.042 -27.101 1.00 1.21 O ATOM 1220 CB LEU A 895 -24.848 -15.836 -28.734 1.00 1.19 C ATOM 1221 CG LEU A 895 -25.677 -15.025 -29.735 1.00 2.21 C ATOM 1222 CD1 LEU A 895 -24.774 -14.136 -30.580 1.00 2.89 C ATOM 1223 CD2 LEU A 895 -26.500 -15.946 -30.623 1.00 2.82 C ATOM 0 H LEU A 895 -26.969 -17.052 -28.373 1.00 0.75 H new ATOM 0 HA LEU A 895 -24.753 -16.490 -26.690 1.00 0.81 H new ATOM 0 HB2 LEU A 895 -23.876 -15.355 -28.619 1.00 1.19 H new ATOM 0 HB3 LEU A 895 -24.667 -16.825 -29.155 1.00 1.19 H new ATOM 0 HG LEU A 895 -26.362 -14.388 -29.175 1.00 2.21 H new ATOM 0 HD11 LEU A 895 -25.380 -13.567 -31.285 1.00 2.89 H new ATOM 0 HD12 LEU A 895 -24.231 -13.448 -29.932 1.00 2.89 H new ATOM 0 HD13 LEU A 895 -24.064 -14.755 -31.128 1.00 2.89 H new ATOM 0 HD21 LEU A 895 -27.081 -15.350 -31.326 1.00 2.82 H new ATOM 0 HD22 LEU A 895 -25.834 -16.610 -31.174 1.00 2.82 H new ATOM 0 HD23 LEU A 895 -27.175 -16.539 -30.006 1.00 2.82 H new ATOM 1235 N THR A 896 -24.989 -14.173 -25.843 1.00 0.91 N ATOM 1236 CA THR A 896 -25.172 -12.865 -25.241 1.00 1.21 C ATOM 1237 C THR A 896 -24.047 -11.927 -25.657 1.00 1.12 C ATOM 1238 O THR A 896 -24.034 -10.750 -25.296 1.00 1.48 O ATOM 1239 CB THR A 896 -25.205 -12.976 -23.705 1.00 1.68 C ATOM 1240 OG1 THR A 896 -24.515 -14.164 -23.290 1.00 2.49 O ATOM 1241 CG2 THR A 896 -26.637 -13.018 -23.195 1.00 1.70 C ATOM 0 H THR A 896 -24.173 -14.682 -25.503 1.00 0.91 H new ATOM 0 HA THR A 896 -26.123 -12.462 -25.590 1.00 1.21 H new ATOM 0 HB THR A 896 -24.712 -12.098 -23.287 1.00 1.68 H new ATOM 0 HG1 THR A 896 -24.537 -14.230 -22.312 1.00 2.49 H new ATOM 0 HG21 THR A 896 -26.634 -13.096 -22.108 1.00 1.70 H new ATOM 0 HG22 THR A 896 -27.156 -12.106 -23.492 1.00 1.70 H new ATOM 0 HG23 THR A 896 -27.149 -13.881 -23.620 1.00 1.70 H new ATOM 1249 N LEU A 897 -23.120 -12.456 -26.444 1.00 0.81 N ATOM 1250 CA LEU A 897 -21.920 -11.728 -26.822 1.00 0.78 C ATOM 1251 C LEU A 897 -21.621 -11.938 -28.306 1.00 0.56 C ATOM 1252 O LEU A 897 -22.097 -12.906 -28.900 1.00 0.57 O ATOM 1253 CB LEU A 897 -20.738 -12.195 -25.961 1.00 0.98 C ATOM 1254 CG LEU A 897 -20.342 -13.662 -26.131 1.00 0.92 C ATOM 1255 CD1 LEU A 897 -18.848 -13.828 -25.943 1.00 1.20 C ATOM 1256 CD2 LEU A 897 -21.102 -14.545 -25.152 1.00 1.40 C ATOM 0 H LEU A 897 -23.179 -13.396 -26.835 1.00 0.81 H new ATOM 0 HA LEU A 897 -22.078 -10.663 -26.652 1.00 0.78 H new ATOM 0 HB2 LEU A 897 -19.873 -11.574 -26.193 1.00 0.98 H new ATOM 0 HB3 LEU A 897 -20.983 -12.021 -24.913 1.00 0.98 H new ATOM 0 HG LEU A 897 -20.604 -13.972 -27.142 1.00 0.92 H new ATOM 0 HD11 LEU A 897 -18.580 -14.877 -26.067 1.00 1.20 H new ATOM 0 HD12 LEU A 897 -18.319 -13.229 -26.684 1.00 1.20 H new ATOM 0 HD13 LEU A 897 -18.568 -13.498 -24.943 1.00 1.20 H new ATOM 0 HD21 LEU A 897 -20.804 -15.584 -25.292 1.00 1.40 H new ATOM 0 HD22 LEU A 897 -20.875 -14.236 -24.132 1.00 1.40 H new ATOM 0 HD23 LEU A 897 -22.173 -14.448 -25.330 1.00 1.40 H new ATOM 1268 N PRO A 898 -20.844 -11.028 -28.921 1.00 0.49 N ATOM 1269 CA PRO A 898 -20.529 -11.079 -30.355 1.00 0.42 C ATOM 1270 C PRO A 898 -19.733 -12.321 -30.763 1.00 0.38 C ATOM 1271 O PRO A 898 -18.702 -12.658 -30.153 1.00 0.42 O ATOM 1272 CB PRO A 898 -19.683 -9.819 -30.592 1.00 0.50 C ATOM 1273 CG PRO A 898 -19.940 -8.943 -29.416 1.00 0.73 C ATOM 1274 CD PRO A 898 -20.215 -9.867 -28.269 1.00 0.63 C ATOM 0 HA PRO A 898 -21.443 -11.125 -30.947 1.00 0.42 H new ATOM 0 HB2 PRO A 898 -18.625 -10.066 -30.674 1.00 0.50 H new ATOM 0 HB3 PRO A 898 -19.967 -9.324 -31.520 1.00 0.50 H new ATOM 0 HG2 PRO A 898 -19.080 -8.307 -29.208 1.00 0.73 H new ATOM 0 HG3 PRO A 898 -20.788 -8.283 -29.598 1.00 0.73 H new ATOM 0 HD2 PRO A 898 -19.300 -10.145 -27.746 1.00 0.63 H new ATOM 0 HD3 PRO A 898 -20.876 -9.410 -27.533 1.00 0.63 H new ATOM 1282 N VAL A 899 -20.217 -13.000 -31.799 1.00 0.36 N ATOM 1283 CA VAL A 899 -19.502 -14.130 -32.359 1.00 0.39 C ATOM 1284 C VAL A 899 -18.986 -13.790 -33.751 1.00 0.39 C ATOM 1285 O VAL A 899 -19.749 -13.416 -34.648 1.00 0.47 O ATOM 1286 CB VAL A 899 -20.382 -15.393 -32.436 1.00 0.47 C ATOM 1287 CG1 VAL A 899 -19.531 -16.614 -32.753 1.00 0.64 C ATOM 1288 CG2 VAL A 899 -21.150 -15.600 -31.139 1.00 0.50 C ATOM 0 H VAL A 899 -21.099 -12.784 -32.263 1.00 0.36 H new ATOM 0 HA VAL A 899 -18.666 -14.341 -31.693 1.00 0.39 H new ATOM 0 HB VAL A 899 -21.106 -15.255 -33.239 1.00 0.47 H new ATOM 0 HG11 VAL A 899 -20.167 -17.498 -32.804 1.00 0.64 H new ATOM 0 HG12 VAL A 899 -19.032 -16.471 -33.711 1.00 0.64 H new ATOM 0 HG13 VAL A 899 -18.784 -16.750 -31.971 1.00 0.64 H new ATOM 0 HG21 VAL A 899 -21.763 -16.497 -31.219 1.00 0.50 H new ATOM 0 HG22 VAL A 899 -20.447 -15.713 -30.314 1.00 0.50 H new ATOM 0 HG23 VAL A 899 -21.791 -14.738 -30.954 1.00 0.50 H new ATOM 1298 N ILE A 900 -17.682 -13.889 -33.918 1.00 0.37 N ATOM 1299 CA ILE A 900 -17.061 -13.670 -35.207 1.00 0.38 C ATOM 1300 C ILE A 900 -16.446 -14.969 -35.701 1.00 0.40 C ATOM 1301 O ILE A 900 -15.540 -15.521 -35.075 1.00 0.48 O ATOM 1302 CB ILE A 900 -15.978 -12.569 -35.151 1.00 0.42 C ATOM 1303 CG1 ILE A 900 -16.367 -11.477 -34.149 1.00 0.53 C ATOM 1304 CG2 ILE A 900 -15.765 -11.968 -36.534 1.00 0.61 C ATOM 1305 CD1 ILE A 900 -15.183 -10.841 -33.451 1.00 0.64 C ATOM 0 H ILE A 900 -17.029 -14.122 -33.170 1.00 0.37 H new ATOM 0 HA ILE A 900 -17.836 -13.334 -35.896 1.00 0.38 H new ATOM 0 HB ILE A 900 -15.044 -13.022 -34.818 1.00 0.42 H new ATOM 0 HG12 ILE A 900 -16.930 -10.702 -34.670 1.00 0.53 H new ATOM 0 HG13 ILE A 900 -17.033 -11.905 -33.399 1.00 0.53 H new ATOM 0 HG21 ILE A 900 -15.000 -11.194 -36.480 1.00 0.61 H new ATOM 0 HG22 ILE A 900 -15.444 -12.748 -37.224 1.00 0.61 H new ATOM 0 HG23 ILE A 900 -16.699 -11.531 -36.889 1.00 0.61 H new ATOM 0 HD11 ILE A 900 -15.536 -10.078 -32.757 1.00 0.64 H new ATOM 0 HD12 ILE A 900 -14.632 -11.604 -32.901 1.00 0.64 H new ATOM 0 HD13 ILE A 900 -14.527 -10.383 -34.191 1.00 0.64 H new ATOM 1317 N GLY A 901 -16.964 -15.470 -36.805 1.00 0.39 N ATOM 1318 CA GLY A 901 -16.485 -16.726 -37.334 1.00 0.44 C ATOM 1319 C GLY A 901 -15.562 -16.532 -38.510 1.00 0.40 C ATOM 1320 O GLY A 901 -15.906 -15.847 -39.467 1.00 0.48 O ATOM 0 H GLY A 901 -17.708 -15.030 -37.346 1.00 0.39 H new ATOM 0 HA2 GLY A 901 -15.962 -17.273 -36.550 1.00 0.44 H new ATOM 0 HA3 GLY A 901 -17.334 -17.338 -37.638 1.00 0.44 H new ATOM 1324 N VAL A 902 -14.386 -17.118 -38.436 1.00 0.38 N ATOM 1325 CA VAL A 902 -13.435 -17.044 -39.527 1.00 0.39 C ATOM 1326 C VAL A 902 -13.648 -18.229 -40.458 1.00 0.40 C ATOM 1327 O VAL A 902 -13.145 -19.325 -40.217 1.00 0.59 O ATOM 1328 CB VAL A 902 -11.980 -17.022 -39.016 1.00 0.51 C ATOM 1329 CG1 VAL A 902 -11.061 -16.392 -40.049 1.00 0.89 C ATOM 1330 CG2 VAL A 902 -11.885 -16.277 -37.691 1.00 1.04 C ATOM 0 H VAL A 902 -14.064 -17.653 -37.629 1.00 0.38 H new ATOM 0 HA VAL A 902 -13.603 -16.112 -40.067 1.00 0.39 H new ATOM 0 HB VAL A 902 -11.660 -18.051 -38.853 1.00 0.51 H new ATOM 0 HG11 VAL A 902 -10.039 -16.385 -39.671 1.00 0.89 H new ATOM 0 HG12 VAL A 902 -11.102 -16.969 -40.973 1.00 0.89 H new ATOM 0 HG13 VAL A 902 -11.382 -15.369 -40.246 1.00 0.89 H new ATOM 0 HG21 VAL A 902 -10.850 -16.274 -37.349 1.00 1.04 H new ATOM 0 HG22 VAL A 902 -12.226 -15.251 -37.825 1.00 1.04 H new ATOM 0 HG23 VAL A 902 -12.511 -16.773 -36.949 1.00 1.04 H new ATOM 1340 N THR A 903 -14.424 -18.007 -41.503 1.00 0.44 N ATOM 1341 CA THR A 903 -14.825 -19.063 -42.409 1.00 0.53 C ATOM 1342 C THR A 903 -13.845 -19.205 -43.568 1.00 0.59 C ATOM 1343 O THR A 903 -12.914 -18.409 -43.710 1.00 0.72 O ATOM 1344 CB THR A 903 -16.236 -18.779 -42.950 1.00 0.67 C ATOM 1345 OG1 THR A 903 -16.488 -17.369 -42.921 1.00 0.89 O ATOM 1346 CG2 THR A 903 -17.282 -19.493 -42.111 1.00 0.83 C ATOM 0 H THR A 903 -14.793 -17.088 -41.746 1.00 0.44 H new ATOM 0 HA THR A 903 -14.827 -20.001 -41.853 1.00 0.53 H new ATOM 0 HB THR A 903 -16.295 -19.144 -43.975 1.00 0.67 H new ATOM 0 HG1 THR A 903 -16.163 -16.961 -43.751 1.00 0.89 H new ATOM 0 HG21 THR A 903 -18.274 -19.280 -42.509 1.00 0.83 H new ATOM 0 HG22 THR A 903 -17.101 -20.567 -42.141 1.00 0.83 H new ATOM 0 HG23 THR A 903 -17.222 -19.144 -41.080 1.00 0.83 H new ATOM 1354 N ALA A 904 -14.038 -20.228 -44.388 1.00 0.72 N ATOM 1355 CA ALA A 904 -13.189 -20.431 -45.548 1.00 0.84 C ATOM 1356 C ALA A 904 -13.997 -20.957 -46.726 1.00 0.92 C ATOM 1357 O ALA A 904 -14.358 -22.139 -46.765 1.00 1.19 O ATOM 1358 CB ALA A 904 -12.053 -21.389 -45.213 1.00 1.07 C ATOM 0 H ALA A 904 -14.772 -20.926 -44.271 1.00 0.72 H new ATOM 0 HA ALA A 904 -12.762 -19.469 -45.831 1.00 0.84 H new ATOM 0 HB1 ALA A 904 -11.425 -21.531 -46.093 1.00 1.07 H new ATOM 0 HB2 ALA A 904 -11.454 -20.974 -44.403 1.00 1.07 H new ATOM 0 HB3 ALA A 904 -12.466 -22.349 -44.903 1.00 1.07 H new ATOM 1364 N ASN A 905 -14.277 -20.064 -47.676 1.00 1.03 N ATOM 1365 CA ASN A 905 -14.956 -20.416 -48.920 1.00 1.27 C ATOM 1366 C ASN A 905 -16.378 -20.914 -48.655 1.00 1.48 C ATOM 1367 O ASN A 905 -17.278 -20.119 -48.392 1.00 2.14 O ATOM 1368 CB ASN A 905 -14.149 -21.464 -49.707 1.00 1.73 C ATOM 1369 CG ASN A 905 -14.537 -21.524 -51.176 1.00 2.13 C ATOM 1370 OD1 ASN A 905 -15.717 -21.603 -51.519 1.00 2.42 O ATOM 1371 ND2 ASN A 905 -13.548 -21.514 -52.054 1.00 2.70 N ATOM 0 H ASN A 905 -14.038 -19.075 -47.603 1.00 1.03 H new ATOM 0 HA ASN A 905 -15.027 -19.513 -49.526 1.00 1.27 H new ATOM 0 HB2 ASN A 905 -13.087 -21.234 -49.625 1.00 1.73 H new ATOM 0 HB3 ASN A 905 -14.298 -22.445 -49.256 1.00 1.73 H new ATOM 0 HD21 ASN A 905 -13.751 -21.573 -53.052 1.00 2.70 H new ATOM 0 HD22 ASN A 905 -12.582 -21.447 -51.733 1.00 2.70 H new ATOM 1378 N ALA A 906 -16.568 -22.234 -48.739 1.00 1.42 N ATOM 1379 CA ALA A 906 -17.876 -22.865 -48.546 1.00 1.94 C ATOM 1380 C ALA A 906 -18.912 -22.334 -49.542 1.00 2.10 C ATOM 1381 O ALA A 906 -20.117 -22.485 -49.329 1.00 2.81 O ATOM 1382 CB ALA A 906 -18.365 -22.674 -47.115 1.00 2.30 C ATOM 0 H ALA A 906 -15.819 -22.895 -48.943 1.00 1.42 H new ATOM 0 HA ALA A 906 -17.753 -23.932 -48.732 1.00 1.94 H new ATOM 0 HB1 ALA A 906 -19.338 -23.151 -46.996 1.00 2.30 H new ATOM 0 HB2 ALA A 906 -17.653 -23.125 -46.424 1.00 2.30 H new ATOM 0 HB3 ALA A 906 -18.454 -21.609 -46.900 1.00 2.30 H new ATOM 1388 N LEU A 907 -18.417 -21.716 -50.622 1.00 1.83 N ATOM 1389 CA LEU A 907 -19.251 -21.136 -51.683 1.00 2.05 C ATOM 1390 C LEU A 907 -19.998 -19.890 -51.199 1.00 1.86 C ATOM 1391 O LEU A 907 -19.905 -18.822 -51.807 1.00 2.51 O ATOM 1392 CB LEU A 907 -20.234 -22.173 -52.239 1.00 2.52 C ATOM 1393 CG LEU A 907 -19.841 -22.795 -53.583 1.00 3.20 C ATOM 1394 CD1 LEU A 907 -18.393 -23.260 -53.567 1.00 3.93 C ATOM 1395 CD2 LEU A 907 -20.764 -23.957 -53.918 1.00 3.55 C ATOM 0 H LEU A 907 -17.417 -21.603 -50.786 1.00 1.83 H new ATOM 0 HA LEU A 907 -18.583 -20.829 -52.488 1.00 2.05 H new ATOM 0 HB2 LEU A 907 -20.346 -22.972 -51.506 1.00 2.52 H new ATOM 0 HB3 LEU A 907 -21.211 -21.701 -52.348 1.00 2.52 H new ATOM 0 HG LEU A 907 -19.943 -22.030 -54.353 1.00 3.20 H new ATOM 0 HD11 LEU A 907 -18.141 -23.697 -54.533 1.00 3.93 H new ATOM 0 HD12 LEU A 907 -17.740 -22.409 -53.372 1.00 3.93 H new ATOM 0 HD13 LEU A 907 -18.259 -24.007 -52.785 1.00 3.93 H new ATOM 0 HD21 LEU A 907 -20.473 -24.389 -54.875 1.00 3.55 H new ATOM 0 HD22 LEU A 907 -20.690 -24.717 -53.140 1.00 3.55 H new ATOM 0 HD23 LEU A 907 -21.792 -23.599 -53.979 1.00 3.55 H new ATOM 1407 N ALA A 908 -20.724 -20.028 -50.102 1.00 1.67 N ATOM 1408 CA ALA A 908 -21.486 -18.930 -49.535 1.00 1.75 C ATOM 1409 C ALA A 908 -21.386 -18.944 -48.014 1.00 1.63 C ATOM 1410 O ALA A 908 -22.349 -19.269 -47.322 1.00 1.53 O ATOM 1411 CB ALA A 908 -22.942 -19.015 -49.974 1.00 2.09 C ATOM 0 H ALA A 908 -20.801 -20.902 -49.581 1.00 1.67 H new ATOM 0 HA ALA A 908 -21.068 -17.991 -49.900 1.00 1.75 H new ATOM 0 HB1 ALA A 908 -23.501 -18.186 -49.541 1.00 2.09 H new ATOM 0 HB2 ALA A 908 -22.998 -18.962 -51.061 1.00 2.09 H new ATOM 0 HB3 ALA A 908 -23.370 -19.958 -49.634 1.00 2.09 H new ATOM 1417 N GLU A 909 -20.211 -18.600 -47.497 1.00 1.71 N ATOM 1418 CA GLU A 909 -19.974 -18.618 -46.056 1.00 1.70 C ATOM 1419 C GLU A 909 -20.897 -17.650 -45.325 1.00 1.59 C ATOM 1420 O GLU A 909 -21.567 -18.024 -44.361 1.00 1.46 O ATOM 1421 CB GLU A 909 -18.522 -18.272 -45.737 1.00 1.97 C ATOM 1422 CG GLU A 909 -17.870 -17.334 -46.746 1.00 2.30 C ATOM 1423 CD GLU A 909 -16.407 -17.063 -46.442 1.00 2.85 C ATOM 1424 OE1 GLU A 909 -16.117 -16.446 -45.395 1.00 3.31 O ATOM 1425 OE2 GLU A 909 -15.545 -17.463 -47.253 1.00 3.28 O ATOM 0 H GLU A 909 -19.408 -18.305 -48.053 1.00 1.71 H new ATOM 0 HA GLU A 909 -20.186 -19.630 -45.711 1.00 1.70 H new ATOM 0 HB2 GLU A 909 -18.478 -17.813 -44.749 1.00 1.97 H new ATOM 0 HB3 GLU A 909 -17.943 -19.194 -45.687 1.00 1.97 H new ATOM 0 HG2 GLU A 909 -17.955 -17.766 -47.743 1.00 2.30 H new ATOM 0 HG3 GLU A 909 -18.414 -16.389 -46.760 1.00 2.30 H new ATOM 1432 N GLU A 910 -20.936 -16.412 -45.795 1.00 1.70 N ATOM 1433 CA GLU A 910 -21.761 -15.382 -45.176 1.00 1.71 C ATOM 1434 C GLU A 910 -23.236 -15.773 -45.227 1.00 1.51 C ATOM 1435 O GLU A 910 -23.973 -15.583 -44.260 1.00 1.45 O ATOM 1436 CB GLU A 910 -21.548 -14.034 -45.871 1.00 1.95 C ATOM 1437 CG GLU A 910 -20.895 -14.147 -47.243 1.00 2.30 C ATOM 1438 CD GLU A 910 -21.902 -14.363 -48.351 1.00 2.97 C ATOM 1439 OE1 GLU A 910 -22.392 -13.364 -48.923 1.00 3.58 O ATOM 1440 OE2 GLU A 910 -22.203 -15.535 -48.661 1.00 3.43 O ATOM 0 H GLU A 910 -20.405 -16.094 -46.606 1.00 1.70 H new ATOM 0 HA GLU A 910 -21.462 -15.288 -44.132 1.00 1.71 H new ATOM 0 HB2 GLU A 910 -22.511 -13.534 -45.977 1.00 1.95 H new ATOM 0 HB3 GLU A 910 -20.929 -13.401 -45.235 1.00 1.95 H new ATOM 0 HG2 GLU A 910 -20.326 -13.240 -47.446 1.00 2.30 H new ATOM 0 HG3 GLU A 910 -20.185 -14.974 -47.236 1.00 2.30 H new ATOM 1447 N LYS A 911 -23.654 -16.331 -46.357 1.00 1.45 N ATOM 1448 CA LYS A 911 -25.024 -16.793 -46.525 1.00 1.34 C ATOM 1449 C LYS A 911 -25.336 -17.926 -45.551 1.00 1.19 C ATOM 1450 O LYS A 911 -26.440 -18.006 -45.014 1.00 1.13 O ATOM 1451 CB LYS A 911 -25.258 -17.259 -47.963 1.00 1.41 C ATOM 1452 CG LYS A 911 -26.726 -17.339 -48.349 1.00 1.46 C ATOM 1453 CD LYS A 911 -27.064 -18.691 -48.955 1.00 1.59 C ATOM 1454 CE LYS A 911 -28.521 -19.054 -48.723 1.00 1.83 C ATOM 1455 NZ LYS A 911 -29.273 -19.181 -49.999 1.00 2.29 N ATOM 0 H LYS A 911 -23.060 -16.474 -47.173 1.00 1.45 H new ATOM 0 HA LYS A 911 -25.692 -15.958 -46.312 1.00 1.34 H new ATOM 0 HB2 LYS A 911 -24.749 -16.577 -48.644 1.00 1.41 H new ATOM 0 HB3 LYS A 911 -24.803 -18.240 -48.096 1.00 1.41 H new ATOM 0 HG2 LYS A 911 -27.346 -17.167 -47.469 1.00 1.46 H new ATOM 0 HG3 LYS A 911 -26.960 -16.549 -49.063 1.00 1.46 H new ATOM 0 HD2 LYS A 911 -26.858 -18.673 -50.025 1.00 1.59 H new ATOM 0 HD3 LYS A 911 -26.423 -19.457 -48.519 1.00 1.59 H new ATOM 0 HE2 LYS A 911 -28.577 -19.994 -48.174 1.00 1.83 H new ATOM 0 HE3 LYS A 911 -28.990 -18.292 -48.100 1.00 1.83 H new ATOM 0 HZ1 LYS A 911 -30.262 -19.429 -49.796 1.00 2.29 H new ATOM 0 HZ2 LYS A 911 -29.241 -18.277 -50.512 1.00 2.29 H new ATOM 0 HZ3 LYS A 911 -28.842 -19.926 -50.583 1.00 2.29 H new ATOM 1469 N GLN A 912 -24.354 -18.787 -45.299 1.00 1.20 N ATOM 1470 CA GLN A 912 -24.565 -19.911 -44.398 1.00 1.16 C ATOM 1471 C GLN A 912 -24.621 -19.421 -42.960 1.00 1.08 C ATOM 1472 O GLN A 912 -25.320 -19.992 -42.122 1.00 1.00 O ATOM 1473 CB GLN A 912 -23.472 -20.964 -44.559 1.00 1.35 C ATOM 1474 CG GLN A 912 -23.891 -22.163 -45.402 1.00 1.50 C ATOM 1475 CD GLN A 912 -24.692 -21.789 -46.637 1.00 2.04 C ATOM 1476 OE1 GLN A 912 -25.896 -21.553 -46.563 1.00 2.65 O ATOM 1477 NE2 GLN A 912 -24.028 -21.739 -47.781 1.00 2.53 N ATOM 0 H GLN A 912 -23.418 -18.729 -45.700 1.00 1.20 H new ATOM 0 HA GLN A 912 -25.516 -20.378 -44.654 1.00 1.16 H new ATOM 0 HB2 GLN A 912 -22.597 -20.499 -45.014 1.00 1.35 H new ATOM 0 HB3 GLN A 912 -23.169 -21.314 -43.572 1.00 1.35 H new ATOM 0 HG2 GLN A 912 -22.999 -22.710 -45.709 1.00 1.50 H new ATOM 0 HG3 GLN A 912 -24.483 -22.840 -44.786 1.00 1.50 H new ATOM 0 HE21 GLN A 912 -23.029 -21.942 -47.800 1.00 2.53 H new ATOM 0 HE22 GLN A 912 -24.516 -21.498 -48.644 1.00 2.53 H new ATOM 1486 N ARG A 913 -23.890 -18.349 -42.686 1.00 1.17 N ATOM 1487 CA ARG A 913 -23.938 -17.706 -41.382 1.00 1.19 C ATOM 1488 C ARG A 913 -25.313 -17.083 -41.155 1.00 1.09 C ATOM 1489 O ARG A 913 -25.763 -16.946 -40.018 1.00 1.07 O ATOM 1490 CB ARG A 913 -22.847 -16.637 -41.272 1.00 1.40 C ATOM 1491 CG ARG A 913 -22.772 -15.972 -39.907 1.00 1.47 C ATOM 1492 CD ARG A 913 -22.578 -14.469 -40.028 1.00 1.72 C ATOM 1493 NE ARG A 913 -23.808 -13.777 -40.421 1.00 2.36 N ATOM 1494 CZ ARG A 913 -23.841 -12.725 -41.242 1.00 3.09 C ATOM 1495 NH1 ARG A 913 -22.727 -12.280 -41.809 1.00 3.38 N ATOM 1496 NH2 ARG A 913 -24.994 -12.129 -41.515 1.00 4.05 N ATOM 0 H ARG A 913 -23.256 -17.906 -43.351 1.00 1.17 H new ATOM 0 HA ARG A 913 -23.762 -18.460 -40.615 1.00 1.19 H new ATOM 0 HB2 ARG A 913 -21.882 -17.092 -41.497 1.00 1.40 H new ATOM 0 HB3 ARG A 913 -23.023 -15.872 -42.029 1.00 1.40 H new ATOM 0 HG2 ARG A 913 -23.686 -16.178 -39.350 1.00 1.47 H new ATOM 0 HG3 ARG A 913 -21.948 -16.401 -39.337 1.00 1.47 H new ATOM 0 HD2 ARG A 913 -22.230 -14.072 -39.074 1.00 1.72 H new ATOM 0 HD3 ARG A 913 -21.799 -14.264 -40.762 1.00 1.72 H new ATOM 0 HE ARG A 913 -24.692 -14.120 -40.045 1.00 2.36 H new ATOM 0 HH11 ARG A 913 -21.838 -12.742 -41.619 1.00 3.38 H new ATOM 0 HH12 ARG A 913 -22.760 -11.476 -42.435 1.00 3.38 H new ATOM 0 HH21 ARG A 913 -25.858 -12.474 -41.097 1.00 4.05 H new ATOM 0 HH22 ARG A 913 -25.017 -11.325 -42.143 1.00 4.05 H new ATOM 1510 N CYS A 914 -25.975 -16.713 -42.247 1.00 1.12 N ATOM 1511 CA CYS A 914 -27.320 -16.156 -42.179 1.00 1.16 C ATOM 1512 C CYS A 914 -28.346 -17.257 -41.925 1.00 1.02 C ATOM 1513 O CYS A 914 -29.374 -17.021 -41.301 1.00 1.08 O ATOM 1514 CB CYS A 914 -27.654 -15.414 -43.475 1.00 1.36 C ATOM 1515 SG CYS A 914 -26.514 -14.065 -43.864 1.00 1.65 S ATOM 0 H CYS A 914 -25.599 -16.790 -43.192 1.00 1.12 H new ATOM 0 HA CYS A 914 -27.357 -15.450 -41.349 1.00 1.16 H new ATOM 0 HB2 CYS A 914 -27.653 -16.126 -44.300 1.00 1.36 H new ATOM 0 HB3 CYS A 914 -28.665 -15.012 -43.402 1.00 1.36 H new ATOM 0 HG CYS A 914 -25.357 -14.556 -44.195 1.00 1.65 H new ATOM 1521 N LEU A 915 -28.053 -18.460 -42.406 1.00 0.93 N ATOM 1522 CA LEU A 915 -28.951 -19.600 -42.232 1.00 0.94 C ATOM 1523 C LEU A 915 -28.978 -20.061 -40.775 1.00 0.87 C ATOM 1524 O LEU A 915 -30.044 -20.222 -40.180 1.00 0.96 O ATOM 1525 CB LEU A 915 -28.514 -20.761 -43.133 1.00 1.01 C ATOM 1526 CG LEU A 915 -29.540 -21.206 -44.180 1.00 1.21 C ATOM 1527 CD1 LEU A 915 -30.854 -21.593 -43.518 1.00 1.82 C ATOM 1528 CD2 LEU A 915 -29.759 -20.112 -45.210 1.00 1.88 C ATOM 0 H LEU A 915 -27.199 -18.673 -42.921 1.00 0.93 H new ATOM 0 HA LEU A 915 -29.955 -19.282 -42.513 1.00 0.94 H new ATOM 0 HB2 LEU A 915 -27.597 -20.473 -43.648 1.00 1.01 H new ATOM 0 HB3 LEU A 915 -28.271 -21.616 -42.502 1.00 1.01 H new ATOM 0 HG LEU A 915 -29.147 -22.085 -44.691 1.00 1.21 H new ATOM 0 HD11 LEU A 915 -31.567 -21.906 -44.281 1.00 1.82 H new ATOM 0 HD12 LEU A 915 -30.683 -22.415 -42.823 1.00 1.82 H new ATOM 0 HD13 LEU A 915 -31.254 -20.736 -42.976 1.00 1.82 H new ATOM 0 HD21 LEU A 915 -30.491 -20.446 -45.946 1.00 1.88 H new ATOM 0 HD22 LEU A 915 -30.127 -19.214 -44.714 1.00 1.88 H new ATOM 0 HD23 LEU A 915 -28.817 -19.890 -45.711 1.00 1.88 H new ATOM 1540 N GLU A 916 -27.796 -20.282 -40.214 1.00 0.82 N ATOM 1541 CA GLU A 916 -27.663 -20.747 -38.836 1.00 0.84 C ATOM 1542 C GLU A 916 -27.874 -19.580 -37.847 1.00 0.74 C ATOM 1543 O GLU A 916 -28.282 -19.784 -36.702 1.00 0.76 O ATOM 1544 CB GLU A 916 -26.302 -21.434 -38.683 1.00 1.00 C ATOM 1545 CG GLU A 916 -26.085 -22.522 -39.728 1.00 1.74 C ATOM 1546 CD GLU A 916 -27.251 -23.494 -39.846 1.00 2.82 C ATOM 1547 OE1 GLU A 916 -27.301 -24.473 -39.075 1.00 3.47 O ATOM 1548 OE2 GLU A 916 -28.115 -23.287 -40.721 1.00 3.40 O ATOM 0 H GLU A 916 -26.907 -20.146 -40.696 1.00 0.82 H new ATOM 0 HA GLU A 916 -28.435 -21.479 -38.598 1.00 0.84 H new ATOM 0 HB2 GLU A 916 -25.510 -20.690 -38.766 1.00 1.00 H new ATOM 0 HB3 GLU A 916 -26.227 -21.870 -37.687 1.00 1.00 H new ATOM 0 HG2 GLU A 916 -25.913 -22.054 -40.697 1.00 1.74 H new ATOM 0 HG3 GLU A 916 -25.182 -23.079 -39.478 1.00 1.74 H new ATOM 1555 N SER A 917 -27.599 -18.359 -38.329 1.00 0.74 N ATOM 1556 CA SER A 917 -27.987 -17.100 -37.670 1.00 0.80 C ATOM 1557 C SER A 917 -27.612 -16.989 -36.182 1.00 0.76 C ATOM 1558 O SER A 917 -28.471 -16.680 -35.357 1.00 0.86 O ATOM 1559 CB SER A 917 -29.491 -16.897 -37.814 1.00 0.95 C ATOM 1560 OG SER A 917 -30.029 -17.666 -38.877 1.00 1.35 O ATOM 0 H SER A 917 -27.092 -18.215 -39.202 1.00 0.74 H new ATOM 0 HA SER A 917 -27.414 -16.324 -38.178 1.00 0.80 H new ATOM 0 HB2 SER A 917 -29.985 -17.171 -36.882 1.00 0.95 H new ATOM 0 HB3 SER A 917 -29.700 -15.841 -37.988 1.00 0.95 H new ATOM 0 HG SER A 917 -29.979 -17.153 -39.710 1.00 1.35 H new ATOM 1566 N GLY A 918 -26.358 -17.204 -35.824 1.00 0.73 N ATOM 1567 CA GLY A 918 -25.990 -17.116 -34.415 1.00 0.82 C ATOM 1568 C GLY A 918 -24.636 -16.473 -34.170 1.00 0.77 C ATOM 1569 O GLY A 918 -24.001 -16.738 -33.159 1.00 1.02 O ATOM 0 H GLY A 918 -25.597 -17.434 -36.463 1.00 0.73 H new ATOM 0 HA2 GLY A 918 -26.753 -16.545 -33.886 1.00 0.82 H new ATOM 0 HA3 GLY A 918 -25.988 -18.119 -33.987 1.00 0.82 H new ATOM 1573 N MET A 919 -24.184 -15.628 -35.085 1.00 0.62 N ATOM 1574 CA MET A 919 -22.825 -15.098 -35.007 1.00 0.59 C ATOM 1575 C MET A 919 -22.819 -13.598 -34.750 1.00 0.55 C ATOM 1576 O MET A 919 -22.993 -13.145 -33.614 1.00 0.54 O ATOM 1577 CB MET A 919 -22.070 -15.396 -36.308 1.00 0.73 C ATOM 1578 CG MET A 919 -20.731 -16.077 -36.100 1.00 0.90 C ATOM 1579 SD MET A 919 -20.000 -16.645 -37.648 1.00 1.46 S ATOM 1580 CE MET A 919 -19.714 -18.371 -37.272 1.00 2.01 C ATOM 0 H MET A 919 -24.728 -15.296 -35.882 1.00 0.62 H new ATOM 0 HA MET A 919 -22.329 -15.588 -34.169 1.00 0.59 H new ATOM 0 HB2 MET A 919 -22.693 -16.027 -36.941 1.00 0.73 H new ATOM 0 HB3 MET A 919 -21.911 -14.462 -36.847 1.00 0.73 H new ATOM 0 HG2 MET A 919 -20.046 -15.384 -35.611 1.00 0.90 H new ATOM 0 HG3 MET A 919 -20.859 -16.926 -35.429 1.00 0.90 H new ATOM 0 HE1 MET A 919 -19.607 -18.933 -38.200 1.00 2.01 H new ATOM 0 HE2 MET A 919 -18.803 -18.469 -36.682 1.00 2.01 H new ATOM 0 HE3 MET A 919 -20.558 -18.765 -36.705 1.00 2.01 H new ATOM 1590 N ASP A 920 -22.600 -12.857 -35.832 1.00 0.60 N ATOM 1591 CA ASP A 920 -22.499 -11.402 -35.838 1.00 0.66 C ATOM 1592 C ASP A 920 -21.785 -10.995 -37.110 1.00 0.62 C ATOM 1593 O ASP A 920 -22.318 -10.254 -37.932 1.00 0.76 O ATOM 1594 CB ASP A 920 -21.722 -10.853 -34.632 1.00 0.72 C ATOM 1595 CG ASP A 920 -21.520 -9.353 -34.714 1.00 0.83 C ATOM 1596 OD1 ASP A 920 -22.390 -8.606 -34.216 1.00 1.26 O ATOM 1597 OD2 ASP A 920 -20.498 -8.915 -35.289 1.00 1.01 O ATOM 0 H ASP A 920 -22.484 -13.267 -36.759 1.00 0.60 H new ATOM 0 HA ASP A 920 -23.507 -10.990 -35.782 1.00 0.66 H new ATOM 0 HB2 ASP A 920 -22.259 -11.096 -33.715 1.00 0.72 H new ATOM 0 HB3 ASP A 920 -20.751 -11.346 -34.573 1.00 0.72 H new ATOM 1602 N SER A 921 -20.578 -11.528 -37.275 1.00 0.54 N ATOM 1603 CA SER A 921 -19.769 -11.242 -38.450 1.00 0.59 C ATOM 1604 C SER A 921 -18.911 -12.446 -38.821 1.00 0.51 C ATOM 1605 O SER A 921 -18.686 -13.337 -37.998 1.00 0.61 O ATOM 1606 CB SER A 921 -18.888 -10.018 -38.200 1.00 0.76 C ATOM 1607 OG SER A 921 -19.675 -8.872 -37.928 1.00 1.26 O ATOM 0 H SER A 921 -20.140 -12.162 -36.607 1.00 0.54 H new ATOM 0 HA SER A 921 -20.437 -11.029 -39.284 1.00 0.59 H new ATOM 0 HB2 SER A 921 -18.220 -10.212 -37.361 1.00 0.76 H new ATOM 0 HB3 SER A 921 -18.260 -9.834 -39.072 1.00 0.76 H new ATOM 0 HG SER A 921 -19.366 -8.452 -37.098 1.00 1.26 H new ATOM 1613 N CYS A 922 -18.449 -12.475 -40.063 1.00 0.49 N ATOM 1614 CA CYS A 922 -17.595 -13.555 -40.537 1.00 0.48 C ATOM 1615 C CYS A 922 -16.392 -12.992 -41.286 1.00 0.49 C ATOM 1616 O CYS A 922 -16.482 -11.943 -41.927 1.00 0.60 O ATOM 1617 CB CYS A 922 -18.382 -14.499 -41.450 1.00 0.59 C ATOM 1618 SG CYS A 922 -19.963 -13.828 -42.013 1.00 1.13 S ATOM 0 H CYS A 922 -18.652 -11.761 -40.762 1.00 0.49 H new ATOM 0 HA CYS A 922 -17.241 -14.116 -39.672 1.00 0.48 H new ATOM 0 HB2 CYS A 922 -17.771 -14.740 -42.320 1.00 0.59 H new ATOM 0 HB3 CYS A 922 -18.564 -15.434 -40.919 1.00 0.59 H new ATOM 0 HG CYS A 922 -19.968 -13.760 -43.311 1.00 1.13 H new ATOM 1624 N LEU A 923 -15.269 -13.688 -41.191 1.00 0.44 N ATOM 1625 CA LEU A 923 -14.045 -13.284 -41.865 1.00 0.46 C ATOM 1626 C LEU A 923 -13.519 -14.442 -42.700 1.00 0.43 C ATOM 1627 O LEU A 923 -14.160 -15.483 -42.782 1.00 0.43 O ATOM 1628 CB LEU A 923 -12.981 -12.845 -40.852 1.00 0.53 C ATOM 1629 CG LEU A 923 -13.517 -12.343 -39.510 1.00 0.55 C ATOM 1630 CD1 LEU A 923 -12.499 -12.584 -38.405 1.00 0.69 C ATOM 1631 CD2 LEU A 923 -13.867 -10.864 -39.597 1.00 0.66 C ATOM 0 H LEU A 923 -15.181 -14.546 -40.646 1.00 0.44 H new ATOM 0 HA LEU A 923 -14.268 -12.436 -42.513 1.00 0.46 H new ATOM 0 HB2 LEU A 923 -12.313 -13.686 -40.665 1.00 0.53 H new ATOM 0 HB3 LEU A 923 -12.380 -12.055 -41.302 1.00 0.53 H new ATOM 0 HG LEU A 923 -14.423 -12.900 -39.271 1.00 0.55 H new ATOM 0 HD11 LEU A 923 -12.897 -12.221 -37.458 1.00 0.69 H new ATOM 0 HD12 LEU A 923 -12.293 -13.651 -38.326 1.00 0.69 H new ATOM 0 HD13 LEU A 923 -11.576 -12.053 -38.638 1.00 0.69 H new ATOM 0 HD21 LEU A 923 -14.247 -10.523 -38.634 1.00 0.66 H new ATOM 0 HD22 LEU A 923 -12.975 -10.294 -39.858 1.00 0.66 H new ATOM 0 HD23 LEU A 923 -14.630 -10.715 -40.361 1.00 0.66 H new ATOM 1643 N SER A 924 -12.360 -14.267 -43.310 1.00 0.48 N ATOM 1644 CA SER A 924 -11.781 -15.307 -44.142 1.00 0.53 C ATOM 1645 C SER A 924 -10.530 -15.894 -43.493 1.00 0.50 C ATOM 1646 O SER A 924 -9.692 -15.153 -42.978 1.00 0.51 O ATOM 1647 CB SER A 924 -11.448 -14.739 -45.518 1.00 0.67 C ATOM 1648 OG SER A 924 -11.972 -13.428 -45.662 1.00 0.89 O ATOM 0 H SER A 924 -11.802 -13.416 -43.245 1.00 0.48 H new ATOM 0 HA SER A 924 -12.510 -16.110 -44.251 1.00 0.53 H new ATOM 0 HB2 SER A 924 -10.367 -14.721 -45.657 1.00 0.67 H new ATOM 0 HB3 SER A 924 -11.858 -15.387 -46.293 1.00 0.67 H new ATOM 0 HG SER A 924 -11.746 -13.081 -46.550 1.00 0.89 H new ATOM 1654 N LYS A 925 -10.428 -17.224 -43.527 1.00 0.54 N ATOM 1655 CA LYS A 925 -9.304 -17.968 -42.940 1.00 0.57 C ATOM 1656 C LYS A 925 -7.930 -17.341 -43.239 1.00 0.61 C ATOM 1657 O LYS A 925 -7.111 -17.220 -42.329 1.00 0.64 O ATOM 1658 CB LYS A 925 -9.329 -19.425 -43.414 1.00 0.64 C ATOM 1659 CG LYS A 925 -8.634 -20.397 -42.473 1.00 0.60 C ATOM 1660 CD LYS A 925 -9.172 -20.277 -41.060 1.00 0.86 C ATOM 1661 CE LYS A 925 -9.901 -21.538 -40.624 1.00 1.03 C ATOM 1662 NZ LYS A 925 -9.237 -22.193 -39.467 1.00 1.11 N ATOM 0 H LYS A 925 -11.127 -17.823 -43.966 1.00 0.54 H new ATOM 0 HA LYS A 925 -9.438 -17.923 -41.859 1.00 0.57 H new ATOM 0 HB2 LYS A 925 -10.366 -19.737 -43.540 1.00 0.64 H new ATOM 0 HB3 LYS A 925 -8.857 -19.485 -44.394 1.00 0.64 H new ATOM 0 HG2 LYS A 925 -8.774 -21.417 -42.832 1.00 0.60 H new ATOM 0 HG3 LYS A 925 -7.561 -20.203 -42.474 1.00 0.60 H new ATOM 0 HD2 LYS A 925 -8.349 -20.077 -40.374 1.00 0.86 H new ATOM 0 HD3 LYS A 925 -9.851 -19.426 -41.001 1.00 0.86 H new ATOM 0 HE2 LYS A 925 -10.929 -21.289 -40.359 1.00 1.03 H new ATOM 0 HE3 LYS A 925 -9.947 -22.237 -41.459 1.00 1.03 H new ATOM 0 HZ1 LYS A 925 -9.955 -22.483 -38.773 1.00 1.11 H new ATOM 0 HZ2 LYS A 925 -8.715 -23.030 -39.795 1.00 1.11 H new ATOM 0 HZ3 LYS A 925 -8.576 -21.525 -39.022 1.00 1.11 H new ATOM 1676 N PRO A 926 -7.627 -16.966 -44.505 1.00 0.68 N ATOM 1677 CA PRO A 926 -6.378 -16.260 -44.834 1.00 0.77 C ATOM 1678 C PRO A 926 -6.336 -14.841 -44.251 1.00 0.70 C ATOM 1679 O PRO A 926 -6.234 -13.857 -44.985 1.00 0.80 O ATOM 1680 CB PRO A 926 -6.376 -16.205 -46.370 1.00 0.94 C ATOM 1681 CG PRO A 926 -7.392 -17.207 -46.800 1.00 1.01 C ATOM 1682 CD PRO A 926 -8.426 -17.225 -45.716 1.00 0.73 C ATOM 0 HA PRO A 926 -5.510 -16.769 -44.415 1.00 0.77 H new ATOM 0 HB2 PRO A 926 -6.631 -15.208 -46.728 1.00 0.94 H new ATOM 0 HB3 PRO A 926 -5.392 -16.446 -46.771 1.00 0.94 H new ATOM 0 HG2 PRO A 926 -7.833 -16.931 -47.758 1.00 1.01 H new ATOM 0 HG3 PRO A 926 -6.942 -18.191 -46.928 1.00 1.01 H new ATOM 0 HD2 PRO A 926 -9.188 -16.461 -45.870 1.00 0.73 H new ATOM 0 HD3 PRO A 926 -8.942 -18.184 -45.664 1.00 0.73 H new ATOM 1690 N VAL A 927 -6.423 -14.751 -42.934 1.00 0.63 N ATOM 1691 CA VAL A 927 -6.372 -13.480 -42.230 1.00 0.63 C ATOM 1692 C VAL A 927 -4.925 -13.119 -41.884 1.00 0.69 C ATOM 1693 O VAL A 927 -4.113 -13.997 -41.580 1.00 1.10 O ATOM 1694 CB VAL A 927 -7.256 -13.529 -40.951 1.00 0.63 C ATOM 1695 CG1 VAL A 927 -6.490 -13.137 -39.694 1.00 1.36 C ATOM 1696 CG2 VAL A 927 -8.478 -12.644 -41.120 1.00 1.14 C ATOM 0 H VAL A 927 -6.531 -15.559 -42.321 1.00 0.63 H new ATOM 0 HA VAL A 927 -6.768 -12.703 -42.884 1.00 0.63 H new ATOM 0 HB VAL A 927 -7.572 -14.564 -40.822 1.00 0.63 H new ATOM 0 HG11 VAL A 927 -7.155 -13.189 -38.832 1.00 1.36 H new ATOM 0 HG12 VAL A 927 -5.654 -13.821 -39.549 1.00 1.36 H new ATOM 0 HG13 VAL A 927 -6.112 -12.120 -39.800 1.00 1.36 H new ATOM 0 HG21 VAL A 927 -9.087 -12.688 -40.217 1.00 1.14 H new ATOM 0 HG22 VAL A 927 -8.161 -11.616 -41.294 1.00 1.14 H new ATOM 0 HG23 VAL A 927 -9.064 -12.992 -41.971 1.00 1.14 H new ATOM 1706 N THR A 928 -4.604 -11.836 -41.956 1.00 0.51 N ATOM 1707 CA THR A 928 -3.259 -11.367 -41.653 1.00 0.58 C ATOM 1708 C THR A 928 -3.214 -10.628 -40.318 1.00 0.50 C ATOM 1709 O THR A 928 -4.257 -10.327 -39.732 1.00 0.46 O ATOM 1710 CB THR A 928 -2.752 -10.441 -42.769 1.00 0.71 C ATOM 1711 OG1 THR A 928 -3.827 -10.146 -43.668 1.00 0.80 O ATOM 1712 CG2 THR A 928 -1.614 -11.093 -43.536 1.00 0.92 C ATOM 0 H THR A 928 -5.257 -11.099 -42.222 1.00 0.51 H new ATOM 0 HA THR A 928 -2.613 -12.242 -41.584 1.00 0.58 H new ATOM 0 HB THR A 928 -2.382 -9.521 -42.317 1.00 0.71 H new ATOM 0 HG1 THR A 928 -3.505 -9.554 -44.380 1.00 0.80 H new ATOM 0 HG21 THR A 928 -1.271 -10.419 -44.321 1.00 0.92 H new ATOM 0 HG22 THR A 928 -0.790 -11.305 -42.854 1.00 0.92 H new ATOM 0 HG23 THR A 928 -1.963 -12.024 -43.984 1.00 0.92 H new ATOM 1720 N LEU A 929 -2.001 -10.347 -39.846 1.00 0.52 N ATOM 1721 CA LEU A 929 -1.786 -9.636 -38.582 1.00 0.51 C ATOM 1722 C LEU A 929 -2.514 -8.292 -38.564 1.00 0.49 C ATOM 1723 O LEU A 929 -3.086 -7.896 -37.552 1.00 0.51 O ATOM 1724 CB LEU A 929 -0.281 -9.411 -38.368 1.00 0.59 C ATOM 1725 CG LEU A 929 0.212 -9.313 -36.910 1.00 0.67 C ATOM 1726 CD1 LEU A 929 0.922 -7.990 -36.678 1.00 0.92 C ATOM 1727 CD2 LEU A 929 -0.920 -9.483 -35.906 1.00 0.71 C ATOM 0 H LEU A 929 -1.139 -10.604 -40.326 1.00 0.52 H new ATOM 0 HA LEU A 929 -2.190 -10.249 -37.776 1.00 0.51 H new ATOM 0 HB2 LEU A 929 0.256 -10.226 -38.853 1.00 0.59 H new ATOM 0 HB3 LEU A 929 0.001 -8.493 -38.883 1.00 0.59 H new ATOM 0 HG LEU A 929 0.914 -10.132 -36.753 1.00 0.67 H new ATOM 0 HD11 LEU A 929 1.264 -7.937 -35.644 1.00 0.92 H new ATOM 0 HD12 LEU A 929 1.779 -7.914 -37.348 1.00 0.92 H new ATOM 0 HD13 LEU A 929 0.234 -7.168 -36.875 1.00 0.92 H new ATOM 0 HD21 LEU A 929 -0.523 -9.406 -34.894 1.00 0.71 H new ATOM 0 HD22 LEU A 929 -1.666 -8.704 -36.063 1.00 0.71 H new ATOM 0 HD23 LEU A 929 -1.382 -10.461 -36.041 1.00 0.71 H new ATOM 1739 N ASP A 930 -2.493 -7.591 -39.682 1.00 0.54 N ATOM 1740 CA ASP A 930 -3.106 -6.269 -39.750 1.00 0.63 C ATOM 1741 C ASP A 930 -4.621 -6.369 -39.768 1.00 0.53 C ATOM 1742 O ASP A 930 -5.305 -5.623 -39.069 1.00 0.52 O ATOM 1743 CB ASP A 930 -2.612 -5.500 -40.970 1.00 0.85 C ATOM 1744 CG ASP A 930 -2.543 -4.008 -40.713 1.00 1.34 C ATOM 1745 OD1 ASP A 930 -2.341 -3.607 -39.546 1.00 1.73 O ATOM 1746 OD2 ASP A 930 -2.697 -3.229 -41.675 1.00 1.85 O ATOM 0 H ASP A 930 -2.063 -7.908 -40.551 1.00 0.54 H new ATOM 0 HA ASP A 930 -2.810 -5.722 -38.855 1.00 0.63 H new ATOM 0 HB2 ASP A 930 -1.625 -5.865 -41.253 1.00 0.85 H new ATOM 0 HB3 ASP A 930 -3.276 -5.692 -41.813 1.00 0.85 H new ATOM 1751 N VAL A 931 -5.141 -7.305 -40.547 1.00 0.52 N ATOM 1752 CA VAL A 931 -6.579 -7.532 -40.610 1.00 0.50 C ATOM 1753 C VAL A 931 -7.120 -7.924 -39.243 1.00 0.43 C ATOM 1754 O VAL A 931 -8.137 -7.400 -38.788 1.00 0.44 O ATOM 1755 CB VAL A 931 -6.930 -8.628 -41.631 1.00 0.60 C ATOM 1756 CG1 VAL A 931 -8.424 -8.891 -41.655 1.00 0.70 C ATOM 1757 CG2 VAL A 931 -6.440 -8.238 -43.011 1.00 0.93 C ATOM 0 H VAL A 931 -4.590 -7.921 -41.145 1.00 0.52 H new ATOM 0 HA VAL A 931 -7.041 -6.598 -40.929 1.00 0.50 H new ATOM 0 HB VAL A 931 -6.430 -9.548 -41.328 1.00 0.60 H new ATOM 0 HG11 VAL A 931 -8.645 -9.670 -42.385 1.00 0.70 H new ATOM 0 HG12 VAL A 931 -8.752 -9.216 -40.668 1.00 0.70 H new ATOM 0 HG13 VAL A 931 -8.950 -7.977 -41.930 1.00 0.70 H new ATOM 0 HG21 VAL A 931 -6.695 -9.023 -43.723 1.00 0.93 H new ATOM 0 HG22 VAL A 931 -6.913 -7.304 -43.315 1.00 0.93 H new ATOM 0 HG23 VAL A 931 -5.358 -8.106 -42.989 1.00 0.93 H new ATOM 1767 N ILE A 932 -6.426 -8.831 -38.579 1.00 0.40 N ATOM 1768 CA ILE A 932 -6.825 -9.258 -37.255 1.00 0.41 C ATOM 1769 C ILE A 932 -6.719 -8.100 -36.257 1.00 0.39 C ATOM 1770 O ILE A 932 -7.486 -8.026 -35.307 1.00 0.39 O ATOM 1771 CB ILE A 932 -5.990 -10.478 -36.786 1.00 0.49 C ATOM 1772 CG1 ILE A 932 -6.869 -11.436 -35.985 1.00 0.77 C ATOM 1773 CG2 ILE A 932 -4.773 -10.059 -35.971 1.00 0.57 C ATOM 1774 CD1 ILE A 932 -6.177 -12.729 -35.618 1.00 1.18 C ATOM 0 H ILE A 932 -5.585 -9.284 -38.936 1.00 0.40 H new ATOM 0 HA ILE A 932 -7.868 -9.570 -37.301 1.00 0.41 H new ATOM 0 HB ILE A 932 -5.620 -10.988 -37.675 1.00 0.49 H new ATOM 0 HG12 ILE A 932 -7.197 -10.938 -35.073 1.00 0.77 H new ATOM 0 HG13 ILE A 932 -7.764 -11.664 -36.564 1.00 0.77 H new ATOM 0 HG21 ILE A 932 -4.218 -10.945 -35.664 1.00 0.57 H new ATOM 0 HG22 ILE A 932 -4.131 -9.421 -36.578 1.00 0.57 H new ATOM 0 HG23 ILE A 932 -5.098 -9.510 -35.087 1.00 0.57 H new ATOM 0 HD11 ILE A 932 -6.861 -13.360 -35.050 1.00 1.18 H new ATOM 0 HD12 ILE A 932 -5.873 -13.249 -36.526 1.00 1.18 H new ATOM 0 HD13 ILE A 932 -5.297 -12.512 -35.012 1.00 1.18 H new ATOM 1786 N LYS A 933 -5.802 -7.175 -36.517 1.00 0.40 N ATOM 1787 CA LYS A 933 -5.574 -6.041 -35.636 1.00 0.43 C ATOM 1788 C LYS A 933 -6.749 -5.072 -35.659 1.00 0.43 C ATOM 1789 O LYS A 933 -7.225 -4.647 -34.602 1.00 0.44 O ATOM 1790 CB LYS A 933 -4.286 -5.326 -36.041 1.00 0.50 C ATOM 1791 CG LYS A 933 -3.737 -4.406 -34.969 1.00 0.79 C ATOM 1792 CD LYS A 933 -4.031 -2.942 -35.277 1.00 1.08 C ATOM 1793 CE LYS A 933 -3.808 -2.603 -36.749 1.00 1.50 C ATOM 1794 NZ LYS A 933 -2.368 -2.589 -37.117 1.00 1.90 N ATOM 0 H LYS A 933 -5.200 -7.191 -37.340 1.00 0.40 H new ATOM 0 HA LYS A 933 -5.476 -6.414 -34.617 1.00 0.43 H new ATOM 0 HB2 LYS A 933 -3.530 -6.071 -36.290 1.00 0.50 H new ATOM 0 HB3 LYS A 933 -4.472 -4.746 -36.945 1.00 0.50 H new ATOM 0 HG2 LYS A 933 -4.173 -4.670 -34.005 1.00 0.79 H new ATOM 0 HG3 LYS A 933 -2.660 -4.550 -34.882 1.00 0.79 H new ATOM 0 HD2 LYS A 933 -5.063 -2.716 -35.007 1.00 1.08 H new ATOM 0 HD3 LYS A 933 -3.394 -2.308 -34.660 1.00 1.08 H new ATOM 0 HE2 LYS A 933 -4.331 -3.330 -37.370 1.00 1.50 H new ATOM 0 HE3 LYS A 933 -4.244 -1.628 -36.964 1.00 1.50 H new ATOM 0 HZ1 LYS A 933 -2.270 -2.745 -38.141 1.00 1.90 H new ATOM 0 HZ2 LYS A 933 -1.954 -1.669 -36.865 1.00 1.90 H new ATOM 0 HZ3 LYS A 933 -1.871 -3.344 -36.603 1.00 1.90 H new ATOM 1808 N GLN A 934 -7.217 -4.721 -36.852 1.00 0.47 N ATOM 1809 CA GLN A 934 -8.337 -3.798 -36.971 1.00 0.53 C ATOM 1810 C GLN A 934 -9.595 -4.409 -36.370 1.00 0.46 C ATOM 1811 O GLN A 934 -10.302 -3.754 -35.614 1.00 0.47 O ATOM 1812 CB GLN A 934 -8.597 -3.378 -38.426 1.00 0.69 C ATOM 1813 CG GLN A 934 -7.970 -4.277 -39.477 1.00 0.79 C ATOM 1814 CD GLN A 934 -8.923 -4.574 -40.619 1.00 1.51 C ATOM 1815 OE1 GLN A 934 -8.985 -3.829 -41.597 1.00 2.06 O ATOM 1816 NE2 GLN A 934 -9.676 -5.658 -40.506 1.00 2.25 N ATOM 0 H GLN A 934 -6.843 -5.057 -37.739 1.00 0.47 H new ATOM 0 HA GLN A 934 -8.070 -2.899 -36.416 1.00 0.53 H new ATOM 0 HB2 GLN A 934 -9.674 -3.347 -38.592 1.00 0.69 H new ATOM 0 HB3 GLN A 934 -8.223 -2.364 -38.568 1.00 0.69 H new ATOM 0 HG2 GLN A 934 -7.071 -3.802 -39.870 1.00 0.79 H new ATOM 0 HG3 GLN A 934 -7.658 -5.213 -39.013 1.00 0.79 H new ATOM 0 HE21 GLN A 934 -9.596 -6.251 -39.680 1.00 2.25 H new ATOM 0 HE22 GLN A 934 -10.336 -5.900 -41.245 1.00 2.25 H new ATOM 1825 N THR A 935 -9.849 -5.675 -36.682 1.00 0.44 N ATOM 1826 CA THR A 935 -11.022 -6.367 -36.157 1.00 0.43 C ATOM 1827 C THR A 935 -10.959 -6.500 -34.631 1.00 0.38 C ATOM 1828 O THR A 935 -11.947 -6.249 -33.941 1.00 0.40 O ATOM 1829 CB THR A 935 -11.168 -7.761 -36.794 1.00 0.51 C ATOM 1830 OG1 THR A 935 -10.677 -7.730 -38.143 1.00 0.62 O ATOM 1831 CG2 THR A 935 -12.621 -8.213 -36.789 1.00 0.57 C ATOM 0 H THR A 935 -9.261 -6.242 -37.293 1.00 0.44 H new ATOM 0 HA THR A 935 -11.893 -5.765 -36.415 1.00 0.43 H new ATOM 0 HB THR A 935 -10.585 -8.470 -36.206 1.00 0.51 H new ATOM 0 HG1 THR A 935 -9.718 -7.932 -38.147 1.00 0.62 H new ATOM 0 HG21 THR A 935 -12.696 -9.200 -37.244 1.00 0.57 H new ATOM 0 HG22 THR A 935 -12.984 -8.258 -35.762 1.00 0.57 H new ATOM 0 HG23 THR A 935 -13.224 -7.505 -37.357 1.00 0.57 H new ATOM 1839 N LEU A 936 -9.792 -6.885 -34.115 1.00 0.37 N ATOM 1840 CA LEU A 936 -9.581 -7.017 -32.671 1.00 0.40 C ATOM 1841 C LEU A 936 -9.881 -5.706 -31.963 1.00 0.40 C ATOM 1842 O LEU A 936 -10.725 -5.640 -31.069 1.00 0.43 O ATOM 1843 CB LEU A 936 -8.126 -7.408 -32.387 1.00 0.46 C ATOM 1844 CG LEU A 936 -7.900 -8.813 -31.825 1.00 0.55 C ATOM 1845 CD1 LEU A 936 -8.796 -9.066 -30.622 1.00 0.86 C ATOM 1846 CD2 LEU A 936 -8.133 -9.859 -32.902 1.00 0.67 C ATOM 0 H LEU A 936 -8.973 -7.113 -34.678 1.00 0.37 H new ATOM 0 HA LEU A 936 -10.254 -7.790 -32.300 1.00 0.40 H new ATOM 0 HB2 LEU A 936 -7.559 -7.315 -33.313 1.00 0.46 H new ATOM 0 HB3 LEU A 936 -7.709 -6.687 -31.684 1.00 0.46 H new ATOM 0 HG LEU A 936 -6.864 -8.887 -31.493 1.00 0.55 H new ATOM 0 HD11 LEU A 936 -8.617 -10.071 -30.240 1.00 0.86 H new ATOM 0 HD12 LEU A 936 -8.574 -8.337 -29.843 1.00 0.86 H new ATOM 0 HD13 LEU A 936 -9.840 -8.971 -30.920 1.00 0.86 H new ATOM 0 HD21 LEU A 936 -7.968 -10.853 -32.486 1.00 0.67 H new ATOM 0 HD22 LEU A 936 -9.157 -9.784 -33.267 1.00 0.67 H new ATOM 0 HD23 LEU A 936 -7.441 -9.692 -33.727 1.00 0.67 H new ATOM 1858 N THR A 937 -9.189 -4.666 -32.394 1.00 0.43 N ATOM 1859 CA THR A 937 -9.294 -3.352 -31.788 1.00 0.51 C ATOM 1860 C THR A 937 -10.718 -2.793 -31.908 1.00 0.48 C ATOM 1861 O THR A 937 -11.254 -2.226 -30.953 1.00 0.52 O ATOM 1862 CB THR A 937 -8.279 -2.399 -32.446 1.00 0.62 C ATOM 1863 OG1 THR A 937 -6.960 -2.954 -32.334 1.00 0.67 O ATOM 1864 CG2 THR A 937 -8.315 -1.019 -31.803 1.00 0.87 C ATOM 0 H THR A 937 -8.537 -4.710 -33.177 1.00 0.43 H new ATOM 0 HA THR A 937 -9.068 -3.441 -30.725 1.00 0.51 H new ATOM 0 HB THR A 937 -8.547 -2.286 -33.497 1.00 0.62 H new ATOM 0 HG1 THR A 937 -6.817 -3.604 -33.053 1.00 0.67 H new ATOM 0 HG21 THR A 937 -7.587 -0.371 -32.291 1.00 0.87 H new ATOM 0 HG22 THR A 937 -9.312 -0.592 -31.913 1.00 0.87 H new ATOM 0 HG23 THR A 937 -8.072 -1.105 -30.744 1.00 0.87 H new ATOM 1872 N LEU A 938 -11.333 -2.996 -33.071 1.00 0.45 N ATOM 1873 CA LEU A 938 -12.684 -2.505 -33.330 1.00 0.49 C ATOM 1874 C LEU A 938 -13.690 -3.145 -32.382 1.00 0.45 C ATOM 1875 O LEU A 938 -14.562 -2.469 -31.838 1.00 0.50 O ATOM 1876 CB LEU A 938 -13.096 -2.792 -34.781 1.00 0.55 C ATOM 1877 CG LEU A 938 -13.049 -1.587 -35.721 1.00 0.99 C ATOM 1878 CD1 LEU A 938 -12.750 -2.034 -37.143 1.00 1.42 C ATOM 1879 CD2 LEU A 938 -14.362 -0.824 -35.676 1.00 1.39 C ATOM 0 H LEU A 938 -10.914 -3.500 -33.853 1.00 0.45 H new ATOM 0 HA LEU A 938 -12.680 -1.428 -33.164 1.00 0.49 H new ATOM 0 HB2 LEU A 938 -12.444 -3.570 -35.180 1.00 0.55 H new ATOM 0 HB3 LEU A 938 -14.109 -3.194 -34.782 1.00 0.55 H new ATOM 0 HG LEU A 938 -12.250 -0.924 -35.388 1.00 0.99 H new ATOM 0 HD11 LEU A 938 -12.720 -1.164 -37.799 1.00 1.42 H new ATOM 0 HD12 LEU A 938 -11.786 -2.542 -37.170 1.00 1.42 H new ATOM 0 HD13 LEU A 938 -13.529 -2.717 -37.481 1.00 1.42 H new ATOM 0 HD21 LEU A 938 -14.310 0.030 -36.351 1.00 1.39 H new ATOM 0 HD22 LEU A 938 -15.175 -1.481 -35.984 1.00 1.39 H new ATOM 0 HD23 LEU A 938 -14.544 -0.473 -34.660 1.00 1.39 H new ATOM 1891 N TYR A 939 -13.564 -4.445 -32.172 1.00 0.40 N ATOM 1892 CA TYR A 939 -14.544 -5.175 -31.382 1.00 0.43 C ATOM 1893 C TYR A 939 -14.276 -5.062 -29.887 1.00 0.42 C ATOM 1894 O TYR A 939 -15.204 -5.141 -29.083 1.00 0.48 O ATOM 1895 CB TYR A 939 -14.607 -6.637 -31.819 1.00 0.51 C ATOM 1896 CG TYR A 939 -15.640 -6.862 -32.896 1.00 0.68 C ATOM 1897 CD1 TYR A 939 -16.961 -7.141 -32.570 1.00 1.21 C ATOM 1898 CD2 TYR A 939 -15.286 -6.830 -34.239 1.00 0.92 C ATOM 1899 CE1 TYR A 939 -17.901 -7.374 -33.552 1.00 1.47 C ATOM 1900 CE2 TYR A 939 -16.221 -7.070 -35.226 1.00 1.13 C ATOM 1901 CZ TYR A 939 -17.554 -7.211 -34.877 1.00 1.27 C ATOM 1902 OH TYR A 939 -18.458 -7.592 -35.853 1.00 1.59 O ATOM 0 H TYR A 939 -12.799 -5.014 -32.534 1.00 0.40 H new ATOM 0 HA TYR A 939 -15.516 -4.716 -31.565 1.00 0.43 H new ATOM 0 HB2 TYR A 939 -13.629 -6.948 -32.185 1.00 0.51 H new ATOM 0 HB3 TYR A 939 -14.839 -7.263 -30.958 1.00 0.51 H new ATOM 0 HD1 TYR A 939 -17.257 -7.176 -31.532 1.00 1.21 H new ATOM 0 HD2 TYR A 939 -14.264 -6.614 -34.515 1.00 0.92 H new ATOM 0 HE1 TYR A 939 -18.901 -7.682 -33.286 1.00 1.47 H new ATOM 0 HE2 TYR A 939 -15.916 -7.147 -36.259 1.00 1.13 H new ATOM 0 HH TYR A 939 -19.335 -7.746 -35.444 1.00 1.59 H new ATOM 1912 N ALA A 940 -13.018 -4.860 -29.514 1.00 0.43 N ATOM 1913 CA ALA A 940 -12.667 -4.637 -28.116 1.00 0.52 C ATOM 1914 C ALA A 940 -13.297 -3.342 -27.618 1.00 0.55 C ATOM 1915 O ALA A 940 -13.849 -3.279 -26.512 1.00 0.61 O ATOM 1916 CB ALA A 940 -11.154 -4.592 -27.952 1.00 0.61 C ATOM 0 H ALA A 940 -12.226 -4.846 -30.157 1.00 0.43 H new ATOM 0 HA ALA A 940 -13.053 -5.464 -27.520 1.00 0.52 H new ATOM 0 HB1 ALA A 940 -10.906 -4.425 -26.904 1.00 0.61 H new ATOM 0 HB2 ALA A 940 -10.724 -5.538 -28.280 1.00 0.61 H new ATOM 0 HB3 ALA A 940 -10.747 -3.780 -28.555 1.00 0.61 H new ATOM 1922 N GLU A 941 -13.235 -2.311 -28.450 1.00 0.56 N ATOM 1923 CA GLU A 941 -13.848 -1.039 -28.116 1.00 0.67 C ATOM 1924 C GLU A 941 -15.365 -1.130 -28.249 1.00 0.65 C ATOM 1925 O GLU A 941 -16.100 -0.423 -27.560 1.00 0.73 O ATOM 1926 CB GLU A 941 -13.279 0.085 -28.996 1.00 0.79 C ATOM 1927 CG GLU A 941 -13.974 0.246 -30.339 1.00 0.99 C ATOM 1928 CD GLU A 941 -13.533 1.493 -31.076 1.00 1.36 C ATOM 1929 OE1 GLU A 941 -13.969 2.601 -30.698 1.00 1.72 O ATOM 1930 OE2 GLU A 941 -12.748 1.379 -32.036 1.00 1.87 O ATOM 0 H GLU A 941 -12.768 -2.333 -29.356 1.00 0.56 H new ATOM 0 HA GLU A 941 -13.613 -0.800 -27.079 1.00 0.67 H new ATOM 0 HB2 GLU A 941 -13.347 1.026 -28.451 1.00 0.79 H new ATOM 0 HB3 GLU A 941 -12.220 -0.107 -29.170 1.00 0.79 H new ATOM 0 HG2 GLU A 941 -13.770 -0.628 -30.957 1.00 0.99 H new ATOM 0 HG3 GLU A 941 -15.052 0.282 -30.184 1.00 0.99 H new ATOM 1937 N ARG A 942 -15.827 -2.029 -29.113 1.00 0.60 N ATOM 1938 CA ARG A 942 -17.254 -2.215 -29.345 1.00 0.67 C ATOM 1939 C ARG A 942 -17.925 -2.830 -28.124 1.00 0.65 C ATOM 1940 O ARG A 942 -18.942 -2.328 -27.656 1.00 0.74 O ATOM 1941 CB ARG A 942 -17.481 -3.105 -30.568 1.00 0.74 C ATOM 1942 CG ARG A 942 -18.941 -3.453 -30.816 1.00 1.10 C ATOM 1943 CD ARG A 942 -19.281 -3.406 -32.296 1.00 1.46 C ATOM 1944 NE ARG A 942 -20.255 -4.430 -32.668 1.00 1.84 N ATOM 1945 CZ ARG A 942 -20.839 -4.506 -33.864 1.00 2.35 C ATOM 1946 NH1 ARG A 942 -20.561 -3.605 -34.801 1.00 2.73 N ATOM 1947 NH2 ARG A 942 -21.705 -5.477 -34.123 1.00 3.11 N ATOM 0 H ARG A 942 -15.229 -2.643 -29.666 1.00 0.60 H new ATOM 0 HA ARG A 942 -17.698 -1.237 -29.529 1.00 0.67 H new ATOM 0 HB2 ARG A 942 -17.083 -2.602 -31.450 1.00 0.74 H new ATOM 0 HB3 ARG A 942 -16.914 -4.028 -30.444 1.00 0.74 H new ATOM 0 HG2 ARG A 942 -19.150 -4.449 -30.425 1.00 1.10 H new ATOM 0 HG3 ARG A 942 -19.580 -2.756 -30.273 1.00 1.10 H new ATOM 0 HD2 ARG A 942 -19.677 -2.422 -32.546 1.00 1.46 H new ATOM 0 HD3 ARG A 942 -18.371 -3.542 -32.881 1.00 1.46 H new ATOM 0 HE ARG A 942 -20.503 -5.130 -31.969 1.00 1.84 H new ATOM 0 HH11 ARG A 942 -19.900 -2.853 -34.606 1.00 2.73 H new ATOM 0 HH12 ARG A 942 -21.009 -3.665 -35.715 1.00 2.73 H new ATOM 0 HH21 ARG A 942 -21.926 -6.168 -33.406 1.00 3.11 H new ATOM 0 HH22 ARG A 942 -22.150 -5.532 -35.039 1.00 3.11 H new ATOM 1961 N VAL A 943 -17.341 -3.897 -27.591 1.00 0.59 N ATOM 1962 CA VAL A 943 -17.905 -4.555 -26.417 1.00 0.64 C ATOM 1963 C VAL A 943 -17.854 -3.626 -25.213 1.00 0.67 C ATOM 1964 O VAL A 943 -18.746 -3.644 -24.363 1.00 0.75 O ATOM 1965 CB VAL A 943 -17.191 -5.882 -26.078 1.00 0.66 C ATOM 1966 CG1 VAL A 943 -17.594 -6.967 -27.062 1.00 0.75 C ATOM 1967 CG2 VAL A 943 -15.682 -5.711 -26.054 1.00 0.61 C ATOM 0 H VAL A 943 -16.485 -4.322 -27.948 1.00 0.59 H new ATOM 0 HA VAL A 943 -18.941 -4.793 -26.659 1.00 0.64 H new ATOM 0 HB VAL A 943 -17.503 -6.184 -25.078 1.00 0.66 H new ATOM 0 HG11 VAL A 943 -17.082 -7.896 -26.809 1.00 0.75 H new ATOM 0 HG12 VAL A 943 -18.672 -7.121 -27.012 1.00 0.75 H new ATOM 0 HG13 VAL A 943 -17.317 -6.663 -28.072 1.00 0.75 H new ATOM 0 HG21 VAL A 943 -15.212 -6.664 -25.812 1.00 0.61 H new ATOM 0 HG22 VAL A 943 -15.338 -5.374 -27.032 1.00 0.61 H new ATOM 0 HG23 VAL A 943 -15.412 -4.971 -25.300 1.00 0.61 H new ATOM 1977 N ARG A 944 -16.812 -2.801 -25.149 1.00 0.67 N ATOM 1978 CA ARG A 944 -16.702 -1.806 -24.094 1.00 0.79 C ATOM 1979 C ARG A 944 -17.816 -0.769 -24.220 1.00 0.88 C ATOM 1980 O ARG A 944 -18.440 -0.393 -23.228 1.00 0.98 O ATOM 1981 CB ARG A 944 -15.335 -1.122 -24.143 1.00 0.85 C ATOM 1982 CG ARG A 944 -14.576 -1.178 -22.827 1.00 1.10 C ATOM 1983 CD ARG A 944 -14.222 -2.610 -22.447 1.00 1.67 C ATOM 1984 NE ARG A 944 -13.009 -3.072 -23.119 1.00 2.12 N ATOM 1985 CZ ARG A 944 -11.905 -3.476 -22.482 1.00 2.78 C ATOM 1986 NH1 ARG A 944 -11.841 -3.456 -21.153 1.00 3.17 N ATOM 1987 NH2 ARG A 944 -10.852 -3.875 -23.182 1.00 3.58 N ATOM 0 H ARG A 944 -16.037 -2.804 -25.813 1.00 0.67 H new ATOM 0 HA ARG A 944 -16.803 -2.312 -23.134 1.00 0.79 H new ATOM 0 HB2 ARG A 944 -14.732 -1.591 -24.920 1.00 0.85 H new ATOM 0 HB3 ARG A 944 -15.470 -0.079 -24.430 1.00 0.85 H new ATOM 0 HG2 ARG A 944 -13.664 -0.586 -22.906 1.00 1.10 H new ATOM 0 HG3 ARG A 944 -15.180 -0.730 -22.038 1.00 1.10 H new ATOM 0 HD2 ARG A 944 -14.085 -2.675 -21.368 1.00 1.67 H new ATOM 0 HD3 ARG A 944 -15.052 -3.269 -22.704 1.00 1.67 H new ATOM 0 HE ARG A 944 -13.004 -3.087 -24.139 1.00 2.12 H new ATOM 0 HH11 ARG A 944 -12.640 -3.130 -20.609 1.00 3.17 H new ATOM 0 HH12 ARG A 944 -10.993 -3.767 -20.679 1.00 3.17 H new ATOM 0 HH21 ARG A 944 -10.887 -3.873 -24.201 1.00 3.58 H new ATOM 0 HH22 ARG A 944 -10.007 -4.184 -22.701 1.00 3.58 H new ATOM 2001 N LYS A 945 -18.073 -0.333 -25.448 1.00 0.91 N ATOM 2002 CA LYS A 945 -19.115 0.651 -25.719 1.00 1.09 C ATOM 2003 C LYS A 945 -20.492 0.094 -25.376 1.00 1.10 C ATOM 2004 O LYS A 945 -21.304 0.763 -24.735 1.00 1.22 O ATOM 2005 CB LYS A 945 -19.083 1.065 -27.194 1.00 1.25 C ATOM 2006 CG LYS A 945 -17.978 2.052 -27.529 1.00 1.04 C ATOM 2007 CD LYS A 945 -18.300 2.845 -28.785 1.00 1.40 C ATOM 2008 CE LYS A 945 -17.324 2.530 -29.906 1.00 2.02 C ATOM 2009 NZ LYS A 945 -16.346 3.630 -30.114 1.00 2.78 N ATOM 0 H LYS A 945 -17.570 -0.648 -26.277 1.00 0.91 H new ATOM 0 HA LYS A 945 -18.925 1.523 -25.094 1.00 1.09 H new ATOM 0 HB2 LYS A 945 -18.960 0.174 -27.809 1.00 1.25 H new ATOM 0 HB3 LYS A 945 -20.044 1.506 -27.459 1.00 1.25 H new ATOM 0 HG2 LYS A 945 -17.834 2.736 -26.693 1.00 1.04 H new ATOM 0 HG3 LYS A 945 -17.039 1.515 -27.667 1.00 1.04 H new ATOM 0 HD2 LYS A 945 -19.315 2.618 -29.110 1.00 1.40 H new ATOM 0 HD3 LYS A 945 -18.268 3.911 -28.562 1.00 1.40 H new ATOM 0 HE2 LYS A 945 -16.790 1.608 -29.674 1.00 2.02 H new ATOM 0 HE3 LYS A 945 -17.876 2.355 -30.830 1.00 2.02 H new ATOM 0 HZ1 LYS A 945 -15.539 3.277 -30.666 1.00 2.78 H new ATOM 0 HZ2 LYS A 945 -16.804 4.409 -30.629 1.00 2.78 H new ATOM 0 HZ3 LYS A 945 -16.010 3.975 -29.192 1.00 2.78 H new ATOM 2023 N SER A 946 -20.745 -1.136 -25.802 1.00 1.04 N ATOM 2024 CA SER A 946 -22.036 -1.777 -25.592 1.00 1.14 C ATOM 2025 C SER A 946 -22.338 -1.979 -24.109 1.00 1.18 C ATOM 2026 O SER A 946 -23.467 -1.759 -23.668 1.00 1.34 O ATOM 2027 CB SER A 946 -22.074 -3.117 -26.322 1.00 1.15 C ATOM 2028 OG SER A 946 -21.757 -2.956 -27.695 1.00 1.20 O ATOM 0 H SER A 946 -20.067 -1.714 -26.299 1.00 1.04 H new ATOM 0 HA SER A 946 -22.804 -1.117 -25.996 1.00 1.14 H new ATOM 0 HB2 SER A 946 -21.368 -3.807 -25.860 1.00 1.15 H new ATOM 0 HB3 SER A 946 -23.064 -3.561 -26.223 1.00 1.15 H new ATOM 0 HG SER A 946 -20.800 -2.767 -27.790 1.00 1.20 H new ATOM 2034 N ARG A 947 -21.331 -2.380 -23.341 1.00 1.11 N ATOM 2035 CA ARG A 947 -21.521 -2.637 -21.918 1.00 1.21 C ATOM 2036 C ARG A 947 -21.612 -1.333 -21.133 1.00 1.25 C ATOM 2037 O ARG A 947 -22.173 -1.291 -20.038 1.00 1.40 O ATOM 2038 CB ARG A 947 -20.388 -3.502 -21.373 1.00 1.29 C ATOM 2039 CG ARG A 947 -20.813 -4.933 -21.092 1.00 1.48 C ATOM 2040 CD ARG A 947 -19.706 -5.916 -21.422 1.00 1.79 C ATOM 2041 NE ARG A 947 -18.671 -5.932 -20.393 1.00 2.18 N ATOM 2042 CZ ARG A 947 -17.570 -6.672 -20.460 1.00 2.70 C ATOM 2043 NH1 ARG A 947 -17.373 -7.475 -21.495 1.00 2.98 N ATOM 2044 NH2 ARG A 947 -16.669 -6.614 -19.488 1.00 3.53 N ATOM 0 H ARG A 947 -20.380 -2.533 -23.677 1.00 1.11 H new ATOM 0 HA ARG A 947 -22.462 -3.175 -21.798 1.00 1.21 H new ATOM 0 HB2 ARG A 947 -19.566 -3.507 -22.089 1.00 1.29 H new ATOM 0 HB3 ARG A 947 -20.007 -3.055 -20.454 1.00 1.29 H new ATOM 0 HG2 ARG A 947 -21.088 -5.032 -20.042 1.00 1.48 H new ATOM 0 HG3 ARG A 947 -21.700 -5.172 -21.678 1.00 1.48 H new ATOM 0 HD2 ARG A 947 -20.127 -6.915 -21.529 1.00 1.79 H new ATOM 0 HD3 ARG A 947 -19.261 -5.653 -22.382 1.00 1.79 H new ATOM 0 HE ARG A 947 -18.801 -5.339 -19.573 1.00 2.18 H new ATOM 0 HH11 ARG A 947 -18.067 -7.525 -22.241 1.00 2.98 H new ATOM 0 HH12 ARG A 947 -16.527 -8.043 -21.546 1.00 2.98 H new ATOM 0 HH21 ARG A 947 -16.821 -6.000 -18.688 1.00 3.53 H new ATOM 0 HH22 ARG A 947 -15.824 -7.183 -19.541 1.00 3.53 H new