USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 hydrogens (29 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 NoAdj-H: A 91 E2P HXT : A 91 E2P O20 : A 91 E2P C20 :(short bond) USER MOD Set 1.1: A 45 GLN : amide:sc= -0.639 K(o=-0.31,f=-3.8!) USER MOD Set 1.2: A 49 ASN : amide:sc= 0.328 K(o=-0.31,f=-7.9!) USER MOD Set 2.1: A 16 TYR OH : rot 62:sc= 1.1 USER MOD Set 2.2: A 65 ASN : amide:sc= -0.652 K(o=0.44,f=-1.8) USER MOD Single : A 1 ILE N :NH3+ 161:sc= 0.0339 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 66:sc= 0.722 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ -144:sc= 0.965 (180deg=-0.811) USER MOD Single : A 33 ASN : amide:sc= 0.897 K(o=0.9,f=-0.29) USER MOD Single : A 35 HIS : no HD1:sc= -0.658 K(o=-0.66,f=-1.5!) USER MOD Single : A 36 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.946 K(o=-0.95,f=-5.5!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0019 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 75:sc= 0.119 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0.765) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.329 F(o=-1,f=-0.33) USER MOD Single : A 60 ASN : amide:sc= 0.554 K(o=0.55,f=-0.47) USER MOD Single : A 62 ASN : amide:sc= -0.018 K(o=-0.018,f=-6.6!) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00587 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.526 K(o=0.53,f=-0.003) USER MOD Single : A 79 TYR OH : rot 105:sc= 1.16 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -60:sc= 0.569 USER MOD Single : A 84 ASN : amide:sc= 1.01 K(o=1,f=-2) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 E2P O6 : rot 180:sc= -0.616 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -9.984 5.415 7.847 1.00 -0.46 N ATOM 2 CA ILE A 1 -9.239 6.075 6.762 1.00 0.04 C ATOM 3 C ILE A 1 -8.702 7.420 7.226 1.00 0.62 C ATOM 4 O ILE A 1 -9.200 7.922 8.219 1.00 -0.50 O ATOM 5 CB ILE A 1 -10.087 6.158 5.439 1.00 -0.01 C ATOM 6 CG1 ILE A 1 -9.508 5.271 4.293 1.00 -0.05 C ATOM 7 CG2 ILE A 1 -10.313 7.611 4.924 1.00 -0.09 C ATOM 8 CD1 ILE A 1 -9.577 3.752 4.610 1.00 -0.09 C ATOM 0 H1 ILE A 1 -10.602 4.681 7.447 1.00 -0.46 H new ATOM 0 H2 ILE A 1 -9.314 4.979 8.513 1.00 -0.46 H new ATOM 0 H3 ILE A 1 -10.562 6.119 8.349 1.00 -0.46 H new ATOM 0 HA ILE A 1 -8.373 5.463 6.510 1.00 0.04 H new ATOM 0 HB ILE A 1 -11.061 5.761 5.725 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 -10.058 5.470 3.373 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 -8.471 5.552 4.112 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 -10.905 7.585 4.009 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 -10.842 8.188 5.683 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 -9.350 8.078 4.719 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 -9.160 3.187 3.776 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 -9.004 3.542 5.513 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 -10.616 3.459 4.763 1.00 -0.09 H new ATOM 22 N ASP A 2 -7.689 7.972 6.509 1.00 -0.46 N ATOM 23 CA ASP A 2 -7.031 9.244 6.845 1.00 0.04 C ATOM 24 C ASP A 2 -5.622 8.921 7.303 1.00 0.62 C ATOM 25 O ASP A 2 -5.274 9.165 8.447 1.00 -0.50 O ATOM 26 CB ASP A 2 -7.761 10.203 7.828 1.00 -0.40 C ATOM 27 CG ASP A 2 -7.089 11.550 7.924 1.00 0.71 C ATOM 28 OD1 ASP A 2 -6.063 11.775 7.225 1.00 -0.72 O ATOM 29 OD2 ASP A 2 -7.591 12.402 8.705 1.00 -0.72 O ATOM 0 H ASP A 2 -7.307 7.533 5.671 1.00 -0.46 H new ATOM 0 HA ASP A 2 -7.047 9.840 5.933 1.00 0.04 H new ATOM 0 HB2 ASP A 2 -8.792 10.337 7.502 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 -7.797 9.747 8.817 1.00 -0.40 H new ATOM 34 N CYS A 3 -4.795 8.331 6.405 1.00 -0.46 N ATOM 35 CA CYS A 3 -3.465 7.861 6.792 1.00 0.04 C ATOM 36 C CYS A 3 -3.452 7.277 8.188 1.00 0.62 C ATOM 37 O CYS A 3 -2.548 7.581 8.949 1.00 -0.50 O ATOM 38 CB CYS A 3 -2.455 9.025 6.606 1.00 -0.10 C ATOM 39 SG CYS A 3 -0.704 8.495 6.547 1.00 0.82 S ATOM 0 H CYS A 3 -5.031 8.176 5.425 1.00 -0.46 H new ATOM 0 HA CYS A 3 -3.164 7.037 6.145 1.00 0.04 H new ATOM 0 HB2 CYS A 3 -2.694 9.555 5.684 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 -2.581 9.735 7.424 1.00 -0.10 H new ATOM 44 N GLY A 4 -4.465 6.438 8.508 1.00 -0.46 N ATOM 45 CA GLY A 4 -4.615 5.911 9.862 1.00 0.04 C ATOM 46 C GLY A 4 -4.960 4.444 9.803 1.00 0.62 C ATOM 47 O GLY A 4 -4.097 3.626 10.077 1.00 -0.50 O ATOM 0 H GLY A 4 -5.176 6.122 7.849 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 -3.691 6.055 10.423 1.00 0.04 H new ATOM 0 HA3 GLY A 4 -5.397 6.457 10.390 1.00 0.04 H new ATOM 51 N HIS A 5 -6.206 4.070 9.432 1.00 -0.46 N ATOM 52 CA HIS A 5 -6.542 2.647 9.382 1.00 0.04 C ATOM 53 C HIS A 5 -5.691 1.951 8.341 1.00 0.62 C ATOM 54 O HIS A 5 -5.015 0.991 8.676 1.00 -0.50 O ATOM 55 CB HIS A 5 -8.049 2.411 9.107 1.00 -0.10 C ATOM 56 CG HIS A 5 -8.346 0.935 9.043 1.00 0.06 C ATOM 57 ND1 HIS A 5 -8.140 0.073 9.995 1.00 -0.06 N ATOM 58 CD2 HIS A 5 -8.866 0.254 8.019 1.00 -0.04 C ATOM 59 CE1 HIS A 5 -8.495 -1.126 9.643 1.00 0.11 C ATOM 60 NE2 HIS A 5 -8.937 -0.980 8.428 1.00 -0.06 N ATOM 0 H HIS A 5 -6.959 4.709 9.175 1.00 -0.46 H new ATOM 0 HA HIS A 5 -6.329 2.221 10.363 1.00 0.04 H new ATOM 0 HB2 HIS A 5 -8.646 2.875 9.893 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 -8.333 2.887 8.168 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 -9.164 0.644 7.057 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 -8.437 -2.034 10.225 1.00 0.11 H new ATOM 0 HE2 HIS A 5 -9.298 -1.746 7.860 1.00 -0.06 H new ATOM 69 N VAL A 6 -5.688 2.423 7.074 1.00 -0.46 N ATOM 70 CA VAL A 6 -4.760 1.855 6.090 1.00 0.04 C ATOM 71 C VAL A 6 -3.375 1.883 6.696 1.00 0.62 C ATOM 72 O VAL A 6 -2.723 0.853 6.750 1.00 -0.50 O ATOM 73 CB VAL A 6 -4.768 2.644 4.740 1.00 -0.01 C ATOM 74 CG1 VAL A 6 -3.480 2.411 3.900 1.00 -0.09 C ATOM 75 CG2 VAL A 6 -6.012 2.268 3.890 1.00 -0.09 C ATOM 0 H VAL A 6 -6.294 3.166 6.725 1.00 -0.46 H new ATOM 0 HA VAL A 6 -5.071 0.837 5.857 1.00 0.04 H new ATOM 0 HB VAL A 6 -4.806 3.701 5.004 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 -3.541 2.983 2.974 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 -2.610 2.736 4.471 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 -3.385 1.351 3.666 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 -5.997 2.829 2.955 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 -5.995 1.200 3.673 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 -6.918 2.511 4.444 1.00 -0.09 H new ATOM 85 N ASP A 7 -2.923 3.069 7.162 1.00 -0.46 N ATOM 86 CA ASP A 7 -1.546 3.204 7.640 1.00 0.04 C ATOM 87 C ASP A 7 -1.206 2.140 8.670 1.00 0.62 C ATOM 88 O ASP A 7 -0.148 1.533 8.599 1.00 -0.50 O ATOM 89 CB ASP A 7 -1.306 4.645 8.164 1.00 -0.40 C ATOM 90 CG ASP A 7 0.161 4.960 8.260 1.00 0.71 C ATOM 91 OD1 ASP A 7 0.863 4.227 9.001 1.00 -0.72 O ATOM 92 OD2 ASP A 7 0.606 5.935 7.589 1.00 -0.72 O ATOM 0 H ASP A 7 -3.482 3.921 7.213 1.00 -0.46 H new ATOM 0 HA ASP A 7 -0.865 3.039 6.805 1.00 0.04 H new ATOM 0 HB2 ASP A 7 -1.790 5.360 7.499 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 -1.768 4.758 9.145 1.00 -0.40 H new ATOM 97 N SER A 8 -2.093 1.860 9.648 1.00 -0.46 N ATOM 98 CA SER A 8 -1.817 0.783 10.602 1.00 0.04 C ATOM 99 C SER A 8 -1.500 -0.519 9.897 1.00 0.62 C ATOM 100 O SER A 8 -0.636 -1.249 10.357 1.00 -0.50 O ATOM 101 CB SER A 8 -3.044 0.536 11.521 1.00 0.02 C ATOM 102 OG SER A 8 -3.464 1.753 12.160 1.00 -0.55 O ATOM 0 H SER A 8 -2.976 2.350 9.790 1.00 -0.46 H new ATOM 0 HA SER A 8 -0.956 1.101 11.190 1.00 0.04 H new ATOM 0 HB2 SER A 8 -3.866 0.127 10.933 1.00 0.02 H new ATOM 0 HB3 SER A 8 -2.792 -0.208 12.277 1.00 0.02 H new ATOM 0 HG SER A 8 -3.793 2.381 11.483 1.00 -0.55 H new ATOM 108 N LEU A 9 -2.199 -0.825 8.780 1.00 -0.46 N ATOM 109 CA LEU A 9 -1.982 -2.090 8.075 1.00 0.04 C ATOM 110 C LEU A 9 -0.837 -2.031 7.077 1.00 0.62 C ATOM 111 O LEU A 9 -0.533 -3.073 6.515 1.00 -0.50 O ATOM 112 CB LEU A 9 -3.301 -2.535 7.381 1.00 -0.06 C ATOM 113 CG LEU A 9 -4.553 -2.550 8.313 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -5.808 -2.992 7.512 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -4.360 -3.475 9.544 1.00 -0.11 C ATOM 0 H LEU A 9 -2.904 -0.219 8.360 1.00 -0.46 H new ATOM 0 HA LEU A 9 -1.691 -2.830 8.821 1.00 0.04 H new ATOM 0 HB2 LEU A 9 -3.497 -1.868 6.542 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -3.160 -3.534 6.968 1.00 -0.06 H new ATOM 0 HG LEU A 9 -4.691 -1.535 8.685 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 -6.676 -2.999 8.171 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 -5.981 -2.295 6.692 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 -5.649 -3.993 7.110 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 -5.258 -3.451 10.161 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -4.178 -4.496 9.207 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -3.508 -3.129 10.129 1.00 -0.11 H new ATOM 127 N VAL A 10 -0.168 -0.874 6.837 1.00 -0.46 N ATOM 128 CA VAL A 10 1.030 -0.866 5.985 1.00 0.04 C ATOM 129 C VAL A 10 2.233 -1.218 6.835 1.00 0.62 C ATOM 130 O VAL A 10 3.082 -1.961 6.372 1.00 -0.50 O ATOM 131 CB VAL A 10 1.264 0.442 5.164 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -0.076 0.940 4.563 1.00 -0.09 C ATOM 133 CG2 VAL A 10 1.978 1.582 5.943 1.00 -0.09 C ATOM 0 H VAL A 10 -0.434 0.036 7.213 1.00 -0.46 H new ATOM 0 HA VAL A 10 0.868 -1.618 5.213 1.00 0.04 H new ATOM 0 HB VAL A 10 1.956 0.171 4.367 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 0.098 1.852 3.993 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 -0.487 0.174 3.906 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 -0.782 1.144 5.368 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 2.097 2.448 5.292 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 1.380 1.859 6.811 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 2.959 1.239 6.272 1.00 -0.09 H new ATOM 143 N ARG A 11 2.331 -0.724 8.090 1.00 -0.46 N ATOM 144 CA ARG A 11 3.434 -1.123 8.971 1.00 0.04 C ATOM 145 C ARG A 11 3.843 -2.587 8.854 1.00 0.62 C ATOM 146 O ARG A 11 5.008 -2.816 8.565 1.00 -0.50 O ATOM 147 CB ARG A 11 3.167 -0.715 10.455 1.00 -0.08 C ATOM 148 CG ARG A 11 3.896 0.595 10.880 1.00 -0.10 C ATOM 149 CD ARG A 11 3.513 1.870 10.070 1.00 -0.23 C ATOM 150 NE ARG A 11 2.173 2.390 10.372 1.00 -0.32 N ATOM 151 CZ ARG A 11 1.868 3.094 11.442 1.00 0.76 C ATOM 152 NH1 ARG A 11 2.720 3.363 12.402 1.00 -0.62 N ATOM 153 NH2 ARG A 11 0.650 3.567 11.567 1.00 -0.62 N ATOM 0 H ARG A 11 1.672 -0.063 8.502 1.00 -0.46 H new ATOM 0 HA ARG A 11 4.296 -0.561 8.612 1.00 0.04 H new ATOM 0 HB2 ARG A 11 2.094 -0.588 10.601 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 3.484 -1.527 11.109 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 3.689 0.780 11.934 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 4.971 0.438 10.789 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 4.248 2.650 10.271 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 3.572 1.643 9.006 1.00 -0.23 H new ATOM 0 HE ARG A 11 1.426 2.192 9.706 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 3.679 3.021 12.343 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 2.424 3.914 13.207 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 -0.044 3.387 10.841 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 0.397 4.114 12.390 1.00 -0.62 H new ATOM 167 N PRO A 12 2.994 -3.630 9.038 1.00 -0.23 N ATOM 168 CA PRO A 12 3.488 -4.994 8.875 1.00 0.04 C ATOM 169 C PRO A 12 4.035 -5.227 7.481 1.00 0.53 C ATOM 170 O PRO A 12 4.927 -6.047 7.331 1.00 -0.50 O ATOM 171 CB PRO A 12 2.203 -5.805 9.182 1.00 -0.12 C ATOM 172 CG PRO A 12 1.052 -4.818 8.879 1.00 -0.12 C ATOM 173 CD PRO A 12 1.592 -3.461 9.387 1.00 -0.01 C ATOM 0 HA PRO A 12 4.330 -5.263 9.512 1.00 0.04 H new ATOM 0 HB2 PRO A 12 2.137 -6.697 8.560 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 2.180 -6.138 10.220 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 0.823 -4.785 7.814 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 0.134 -5.102 9.394 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 1.132 -2.610 8.884 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 1.438 -3.320 10.457 1.00 -0.01 H new ATOM 181 N CYS A 13 3.541 -4.515 6.442 1.00 -0.46 N ATOM 182 CA CYS A 13 4.157 -4.624 5.121 1.00 0.04 C ATOM 183 C CYS A 13 5.536 -3.990 5.132 1.00 0.62 C ATOM 184 O CYS A 13 6.443 -4.563 4.547 1.00 -0.50 O ATOM 185 CB CYS A 13 3.295 -3.944 4.024 1.00 -0.10 C ATOM 186 SG CYS A 13 1.547 -4.470 4.115 1.00 0.82 S ATOM 0 H CYS A 13 2.744 -3.881 6.498 1.00 -0.46 H new ATOM 0 HA CYS A 13 4.235 -5.686 4.888 1.00 0.04 H new ATOM 0 HB2 CYS A 13 3.355 -2.861 4.133 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 3.698 -4.188 3.041 1.00 -0.10 H new ATOM 191 N LEU A 14 5.711 -2.811 5.780 1.00 -0.46 N ATOM 192 CA LEU A 14 7.006 -2.123 5.753 1.00 0.04 C ATOM 193 C LEU A 14 8.162 -3.072 5.998 1.00 0.62 C ATOM 194 O LEU A 14 9.118 -3.036 5.240 1.00 -0.50 O ATOM 195 CB LEU A 14 7.114 -0.904 6.714 1.00 -0.06 C ATOM 196 CG LEU A 14 6.244 0.334 6.321 1.00 -0.01 C ATOM 197 CD1 LEU A 14 6.415 1.451 7.391 1.00 -0.11 C ATOM 198 CD2 LEU A 14 6.600 0.921 4.922 1.00 -0.11 C ATOM 0 H LEU A 14 4.984 -2.334 6.313 1.00 -0.46 H new ATOM 0 HA LEU A 14 7.071 -1.727 4.740 1.00 0.04 H new ATOM 0 HB2 LEU A 14 6.828 -1.225 7.716 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 8.157 -0.593 6.764 1.00 -0.06 H new ATOM 0 HG LEU A 14 5.212 -0.015 6.273 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 5.808 2.314 7.116 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 6.094 1.076 8.363 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 7.463 1.747 7.444 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 5.959 1.777 4.713 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 7.643 1.238 4.915 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 6.448 0.159 4.158 1.00 -0.11 H new ATOM 210 N SER A 15 8.104 -3.931 7.038 1.00 -0.46 N ATOM 211 CA SER A 15 9.231 -4.827 7.314 1.00 0.04 C ATOM 212 C SER A 15 9.769 -5.500 6.064 1.00 0.62 C ATOM 213 O SER A 15 10.966 -5.471 5.823 1.00 -0.50 O ATOM 214 CB SER A 15 8.798 -5.914 8.333 1.00 0.02 C ATOM 215 OG SER A 15 8.293 -5.253 9.507 1.00 -0.55 O ATOM 0 H SER A 15 7.314 -4.018 7.677 1.00 -0.46 H new ATOM 0 HA SER A 15 10.032 -4.212 7.724 1.00 0.04 H new ATOM 0 HB2 SER A 15 8.032 -6.558 7.900 1.00 0.02 H new ATOM 0 HB3 SER A 15 9.643 -6.553 8.590 1.00 0.02 H new ATOM 0 HG SER A 15 8.012 -5.923 10.164 1.00 -0.55 H new ATOM 221 N TYR A 16 8.883 -6.117 5.253 1.00 -0.46 N ATOM 222 CA TYR A 16 9.330 -6.799 4.032 1.00 0.04 C ATOM 223 C TYR A 16 9.571 -5.805 2.916 1.00 0.62 C ATOM 224 O TYR A 16 10.583 -5.886 2.238 1.00 -0.50 O ATOM 225 CB TYR A 16 8.223 -7.794 3.603 1.00 -0.10 C ATOM 226 CG TYR A 16 8.523 -8.615 2.341 1.00 -0.03 C ATOM 227 CD1 TYR A 16 8.314 -8.080 1.065 1.00 0.00 C ATOM 228 CD2 TYR A 16 8.965 -9.937 2.453 1.00 0.00 C ATOM 229 CE1 TYR A 16 8.326 -8.918 -0.053 1.00 -0.26 C ATOM 230 CE2 TYR A 16 8.992 -10.775 1.337 1.00 -0.26 C ATOM 231 CZ TYR A 16 8.636 -10.274 0.084 1.00 0.46 C ATOM 232 OH TYR A 16 8.596 -11.129 -1.014 1.00 -0.53 O ATOM 0 H TYR A 16 7.878 -6.154 5.421 1.00 -0.46 H new ATOM 0 HA TYR A 16 10.266 -7.320 4.231 1.00 0.04 H new ATOM 0 HB2 TYR A 16 8.039 -8.483 4.428 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 7.301 -7.236 3.441 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 8.144 -7.020 0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.289 -10.313 3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.095 -8.516 -1.028 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 9.288 -11.808 1.443 1.00 -0.26 H new ATOM 0 HH TYR A 16 9.248 -10.833 -1.683 1.00 -0.53 H new ATOM 242 N VAL A 17 8.621 -4.863 2.716 1.00 -0.46 N ATOM 243 CA VAL A 17 8.712 -3.907 1.607 1.00 0.04 C ATOM 244 C VAL A 17 10.023 -3.154 1.641 1.00 0.62 C ATOM 245 O VAL A 17 10.670 -3.023 0.614 1.00 -0.50 O ATOM 246 CB VAL A 17 7.530 -2.894 1.684 1.00 -0.01 C ATOM 247 CG1 VAL A 17 7.762 -1.627 0.823 1.00 -0.09 C ATOM 248 CG2 VAL A 17 6.190 -3.569 1.303 1.00 -0.09 C ATOM 0 H VAL A 17 7.795 -4.751 3.304 1.00 -0.46 H new ATOM 0 HA VAL A 17 8.660 -4.467 0.673 1.00 0.04 H new ATOM 0 HB VAL A 17 7.478 -2.567 2.722 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 6.905 -0.960 0.918 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 8.661 -1.114 1.166 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 7.884 -1.914 -0.221 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 5.384 -2.838 1.366 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 6.253 -3.954 0.285 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 5.989 -4.391 1.990 1.00 -0.09 H new ATOM 258 N GLN A 18 10.420 -2.639 2.825 1.00 -0.46 N ATOM 259 CA GLN A 18 11.692 -1.924 2.921 1.00 0.04 C ATOM 260 C GLN A 18 12.779 -2.792 2.321 1.00 0.62 C ATOM 261 O GLN A 18 13.574 -2.304 1.533 1.00 -0.50 O ATOM 262 CB GLN A 18 12.037 -1.574 4.396 1.00 -0.10 C ATOM 263 CG GLN A 18 11.149 -0.419 4.938 1.00 -0.10 C ATOM 264 CD GLN A 18 11.340 -0.170 6.415 1.00 0.68 C ATOM 265 OE1 GLN A 18 12.168 -0.806 7.045 1.00 -0.47 O ATOM 266 NE2 GLN A 18 10.574 0.769 7.007 1.00 -0.87 N ATOM 0 H GLN A 18 9.892 -2.706 3.695 1.00 -0.46 H new ATOM 0 HA GLN A 18 11.614 -0.984 2.374 1.00 0.04 H new ATOM 0 HB2 GLN A 18 11.904 -2.458 5.020 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 13.087 -1.289 4.466 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 11.376 0.495 4.389 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 10.102 -0.653 4.747 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 9.888 1.288 6.458 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 10.681 0.960 8.003 1.00 -0.87 H new ATOM 275 N GLY A 19 12.795 -4.095 2.684 1.00 -0.46 N ATOM 276 CA GLY A 19 13.760 -5.030 2.108 1.00 0.04 C ATOM 277 C GLY A 19 14.064 -6.098 3.133 1.00 0.62 C ATOM 278 O GLY A 19 15.111 -6.037 3.758 1.00 -0.50 O ATOM 0 H GLY A 19 12.157 -4.508 3.364 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 13.356 -5.480 1.201 1.00 0.04 H new ATOM 0 HA3 GLY A 19 14.673 -4.506 1.825 1.00 0.04 H new ATOM 282 N GLY A 20 13.144 -7.066 3.350 1.00 -0.46 N ATOM 283 CA GLY A 20 13.330 -8.002 4.458 1.00 0.04 C ATOM 284 C GLY A 20 12.422 -9.210 4.394 1.00 0.62 C ATOM 285 O GLY A 20 11.742 -9.354 3.390 1.00 -0.50 O ATOM 0 H GLY A 20 12.302 -7.209 2.793 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 14.367 -8.338 4.467 1.00 0.04 H new ATOM 0 HA3 GLY A 20 13.156 -7.478 5.398 1.00 0.04 H new ATOM 289 N PRO A 21 12.391 -10.103 5.419 1.00 -0.23 N ATOM 290 CA PRO A 21 11.561 -11.298 5.334 1.00 0.04 C ATOM 291 C PRO A 21 10.135 -11.016 5.751 1.00 0.53 C ATOM 292 O PRO A 21 9.816 -9.881 6.069 1.00 -0.50 O ATOM 293 CB PRO A 21 12.292 -12.171 6.384 1.00 -0.12 C ATOM 294 CG PRO A 21 12.716 -11.141 7.456 1.00 -0.12 C ATOM 295 CD PRO A 21 13.209 -9.939 6.615 1.00 -0.01 C ATOM 0 HA PRO A 21 11.464 -11.733 4.339 1.00 0.04 H new ATOM 0 HB2 PRO A 21 11.637 -12.938 6.798 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 13.152 -12.684 5.954 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 11.882 -10.866 8.102 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 13.503 -11.532 8.101 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 13.032 -8.985 7.111 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 14.276 -9.993 6.399 1.00 -0.01 H new ATOM 303 N GLY A 22 9.260 -12.049 5.743 1.00 -0.46 N ATOM 304 CA GLY A 22 7.851 -11.840 6.078 1.00 0.04 C ATOM 305 C GLY A 22 7.094 -11.464 4.822 1.00 0.62 C ATOM 306 O GLY A 22 7.364 -12.111 3.822 1.00 -0.50 O ATOM 0 H GLY A 22 9.507 -13.011 5.512 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 7.430 -12.746 6.514 1.00 0.04 H new ATOM 0 HA3 GLY A 22 7.755 -11.052 6.825 1.00 0.04 H new ATOM 310 N PRO A 23 6.150 -10.488 4.771 1.00 -0.23 N ATOM 311 CA PRO A 23 5.757 -9.703 5.937 1.00 0.04 C ATOM 312 C PRO A 23 4.895 -10.539 6.852 1.00 0.53 C ATOM 313 O PRO A 23 4.706 -11.712 6.574 1.00 -0.50 O ATOM 314 CB PRO A 23 4.884 -8.632 5.238 1.00 -0.12 C ATOM 315 CG PRO A 23 4.259 -9.397 4.051 1.00 -0.12 C ATOM 316 CD PRO A 23 5.443 -10.237 3.523 1.00 -0.01 C ATOM 0 HA PRO A 23 6.577 -9.324 6.547 1.00 0.04 H new ATOM 0 HB2 PRO A 23 4.120 -8.237 5.908 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 5.481 -7.785 4.900 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 3.427 -10.026 4.368 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 3.874 -8.718 3.290 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 5.118 -11.156 3.036 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 6.052 -9.692 2.801 1.00 -0.01 H new ATOM 324 N SER A 24 4.341 -9.956 7.939 1.00 -0.46 N ATOM 325 CA SER A 24 3.399 -10.722 8.755 1.00 0.04 C ATOM 326 C SER A 24 2.137 -10.970 7.955 1.00 0.62 C ATOM 327 O SER A 24 1.823 -10.165 7.091 1.00 -0.50 O ATOM 328 CB SER A 24 3.019 -9.997 10.075 1.00 0.02 C ATOM 329 OG SER A 24 4.151 -9.869 10.951 1.00 -0.55 O ATOM 0 H SER A 24 4.524 -9.003 8.253 1.00 -0.46 H new ATOM 0 HA SER A 24 3.890 -11.658 9.022 1.00 0.04 H new ATOM 0 HB2 SER A 24 2.621 -9.008 9.847 1.00 0.02 H new ATOM 0 HB3 SER A 24 2.227 -10.550 10.580 1.00 0.02 H new ATOM 0 HG SER A 24 3.879 -9.407 11.772 1.00 -0.55 H new ATOM 335 N GLY A 25 1.383 -12.062 8.227 1.00 -0.46 N ATOM 336 CA GLY A 25 0.134 -12.289 7.496 1.00 0.04 C ATOM 337 C GLY A 25 -0.768 -11.077 7.548 1.00 0.62 C ATOM 338 O GLY A 25 -1.471 -10.816 6.584 1.00 -0.50 O ATOM 0 H GLY A 25 1.614 -12.771 8.923 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 0.358 -12.532 6.457 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -0.385 -13.149 7.920 1.00 0.04 H new ATOM 342 N GLN A 26 -0.749 -10.320 8.670 1.00 -0.46 N ATOM 343 CA GLN A 26 -1.537 -9.089 8.753 1.00 0.04 C ATOM 344 C GLN A 26 -1.369 -8.251 7.504 1.00 0.62 C ATOM 345 O GLN A 26 -2.344 -7.675 7.053 1.00 -0.50 O ATOM 346 CB GLN A 26 -1.109 -8.237 9.982 1.00 -0.10 C ATOM 347 CG GLN A 26 -2.057 -7.030 10.226 1.00 -0.10 C ATOM 348 CD GLN A 26 -1.612 -6.181 11.394 1.00 0.68 C ATOM 349 OE1 GLN A 26 -0.461 -6.253 11.791 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -2.503 -5.349 11.970 1.00 -0.87 N ATOM 0 H GLN A 26 -0.208 -10.540 9.506 1.00 -0.46 H new ATOM 0 HA GLN A 26 -2.581 -9.383 8.857 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -1.093 -8.868 10.870 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -0.093 -7.873 9.832 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 -2.098 -6.415 9.327 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 -3.068 -7.395 10.409 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -3.460 -5.306 11.621 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -2.220 -4.763 12.755 1.00 -0.87 H new ATOM 359 N CYS A 27 -0.156 -8.162 6.911 1.00 -0.46 N ATOM 360 CA CYS A 27 -0.012 -7.403 5.667 1.00 0.04 C ATOM 361 C CYS A 27 -0.788 -8.049 4.538 1.00 0.62 C ATOM 362 O CYS A 27 -1.383 -7.314 3.765 1.00 -0.50 O ATOM 363 CB CYS A 27 1.470 -7.305 5.227 1.00 -0.10 C ATOM 364 SG CYS A 27 1.617 -6.440 3.627 1.00 0.82 S ATOM 0 H CYS A 27 0.700 -8.591 7.263 1.00 -0.46 H new ATOM 0 HA CYS A 27 -0.403 -6.406 5.870 1.00 0.04 H new ATOM 0 HB2 CYS A 27 2.045 -6.774 5.986 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 1.896 -8.305 5.145 1.00 -0.10 H new ATOM 369 N CYS A 28 -0.798 -9.395 4.389 1.00 -0.46 N ATOM 370 CA CYS A 28 -1.579 -9.980 3.299 1.00 0.04 C ATOM 371 C CYS A 28 -3.040 -9.658 3.513 1.00 0.62 C ATOM 372 O CYS A 28 -3.665 -9.161 2.589 1.00 -0.50 O ATOM 373 CB CYS A 28 -1.426 -11.508 3.085 1.00 -0.10 C ATOM 374 SG CYS A 28 -2.520 -11.926 1.676 1.00 0.82 S ATOM 0 H CYS A 28 -0.299 -10.058 4.981 1.00 -0.46 H new ATOM 0 HA CYS A 28 -1.174 -9.529 2.393 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -0.391 -11.771 2.868 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -1.714 -12.059 3.980 1.00 -0.10 H new ATOM 379 N ASP A 29 -3.607 -9.926 4.710 1.00 -0.46 N ATOM 380 CA ASP A 29 -4.997 -9.529 4.930 1.00 0.04 C ATOM 381 C ASP A 29 -5.088 -8.026 4.757 1.00 0.62 C ATOM 382 O ASP A 29 -6.093 -7.520 4.286 1.00 -0.50 O ATOM 383 CB ASP A 29 -5.543 -9.972 6.312 1.00 -0.40 C ATOM 384 CG ASP A 29 -7.041 -9.807 6.348 1.00 0.71 C ATOM 385 OD1 ASP A 29 -7.742 -10.436 5.507 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -7.561 -9.043 7.203 1.00 -0.72 O ATOM 0 H ASP A 29 -3.147 -10.390 5.493 1.00 -0.46 H new ATOM 0 HA ASP A 29 -5.626 -10.036 4.198 1.00 0.04 H new ATOM 0 HB2 ASP A 29 -5.278 -11.012 6.501 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 -5.084 -9.378 7.102 1.00 -0.40 H new ATOM 391 N GLY A 30 -4.017 -7.281 5.104 1.00 -0.46 N ATOM 392 CA GLY A 30 -3.950 -5.869 4.751 1.00 0.04 C ATOM 393 C GLY A 30 -4.312 -5.699 3.297 1.00 0.62 C ATOM 394 O GLY A 30 -5.219 -4.933 3.029 1.00 -0.50 O ATOM 0 H GLY A 30 -3.209 -7.634 5.617 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 -4.632 -5.294 5.377 1.00 0.04 H new ATOM 0 HA3 GLY A 30 -2.947 -5.484 4.935 1.00 0.04 H new ATOM 398 N VAL A 31 -3.655 -6.400 2.344 1.00 -0.46 N ATOM 399 CA VAL A 31 -4.007 -6.222 0.928 1.00 0.04 C ATOM 400 C VAL A 31 -5.517 -6.317 0.800 1.00 0.62 C ATOM 401 O VAL A 31 -6.134 -5.452 0.199 1.00 -0.50 O ATOM 402 CB VAL A 31 -3.404 -7.239 -0.092 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -3.733 -6.795 -1.551 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -1.864 -7.389 0.002 1.00 -0.09 C ATOM 0 H VAL A 31 -2.906 -7.069 2.525 1.00 -0.46 H new ATOM 0 HA VAL A 31 -3.579 -5.254 0.666 1.00 0.04 H new ATOM 0 HB VAL A 31 -3.857 -8.198 0.161 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 -3.308 -7.511 -2.254 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 -4.814 -6.754 -1.684 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 -3.307 -5.809 -1.736 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -1.523 -8.113 -0.738 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -1.392 -6.425 -0.189 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -1.592 -7.735 0.999 1.00 -0.09 H new ATOM 414 N LYS A 32 -6.124 -7.379 1.377 1.00 -0.46 N ATOM 415 CA LYS A 32 -7.582 -7.527 1.324 1.00 0.04 C ATOM 416 C LYS A 32 -8.268 -6.305 1.901 1.00 0.62 C ATOM 417 O LYS A 32 -9.157 -5.774 1.254 1.00 -0.50 O ATOM 418 CB LYS A 32 -8.008 -8.859 2.018 1.00 -0.10 C ATOM 419 CG LYS A 32 -9.522 -9.013 2.337 1.00 -0.16 C ATOM 420 CD LYS A 32 -10.003 -8.119 3.526 1.00 -0.18 C ATOM 421 CE LYS A 32 -10.949 -8.855 4.517 1.00 -0.04 C ATOM 422 NZ LYS A 32 -10.191 -9.706 5.468 1.00 -0.14 N ATOM 0 H LYS A 32 -5.635 -8.125 1.871 1.00 -0.46 H new ATOM 0 HA LYS A 32 -7.906 -7.592 0.285 1.00 0.04 H new ATOM 0 HB2 LYS A 32 -7.706 -9.690 1.380 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 -7.450 -8.954 2.950 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 -10.100 -8.762 1.447 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 -9.732 -10.057 2.570 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 -9.132 -7.755 4.071 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 -10.518 -7.245 3.127 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 -11.536 -8.123 5.072 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 -11.653 -9.471 3.958 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 -10.732 -10.572 5.666 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 -9.273 -9.960 5.051 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 -10.036 -9.184 6.354 1.00 -0.14 H new ATOM 436 N ASN A 33 -7.893 -5.827 3.109 1.00 -0.46 N ATOM 437 CA ASN A 33 -8.598 -4.683 3.694 1.00 0.04 C ATOM 438 C ASN A 33 -8.304 -3.434 2.889 1.00 0.62 C ATOM 439 O ASN A 33 -9.229 -2.783 2.433 1.00 -0.50 O ATOM 440 CB ASN A 33 -8.242 -4.490 5.190 1.00 -0.09 C ATOM 441 CG ASN A 33 -8.624 -5.711 5.991 1.00 0.68 C ATOM 442 OD1 ASN A 33 -9.808 -5.951 6.163 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -7.665 -6.511 6.496 1.00 -0.87 N ATOM 0 H ASN A 33 -7.133 -6.205 3.675 1.00 -0.46 H new ATOM 0 HA ASN A 33 -9.669 -4.882 3.653 1.00 0.04 H new ATOM 0 HB2 ASN A 33 -7.174 -4.301 5.293 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 -8.760 -3.615 5.582 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 -7.922 -7.338 7.035 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 -6.682 -6.290 6.339 1.00 -0.87 H new ATOM 450 N LEU A 34 -7.011 -3.102 2.686 1.00 -0.46 N ATOM 451 CA LEU A 34 -6.624 -2.026 1.771 1.00 0.04 C ATOM 452 C LEU A 34 -7.532 -2.021 0.555 1.00 0.62 C ATOM 453 O LEU A 34 -8.214 -1.038 0.313 1.00 -0.50 O ATOM 454 CB LEU A 34 -5.147 -2.229 1.314 1.00 -0.06 C ATOM 455 CG LEU A 34 -4.076 -1.526 2.198 1.00 -0.01 C ATOM 456 CD1 LEU A 34 -4.139 -1.879 3.708 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -2.655 -1.862 1.662 1.00 -0.11 C ATOM 0 H LEU A 34 -6.227 -3.566 3.145 1.00 -0.46 H new ATOM 0 HA LEU A 34 -6.718 -1.072 2.291 1.00 0.04 H new ATOM 0 HB2 LEU A 34 -4.934 -3.298 1.294 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 -5.047 -1.865 0.292 1.00 -0.06 H new ATOM 0 HG LEU A 34 -4.296 -0.461 2.126 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 -3.355 -1.341 4.240 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 -5.111 -1.592 4.108 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 -3.995 -2.952 3.837 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 -1.906 -1.369 2.282 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 -2.500 -2.940 1.694 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 -2.562 -1.512 0.634 1.00 -0.11 H new ATOM 469 N HIS A 35 -7.564 -3.126 -0.221 1.00 -0.46 N ATOM 470 CA HIS A 35 -8.443 -3.177 -1.389 1.00 0.04 C ATOM 471 C HIS A 35 -9.879 -2.917 -0.989 1.00 0.62 C ATOM 472 O HIS A 35 -10.551 -2.131 -1.640 1.00 -0.50 O ATOM 473 CB HIS A 35 -8.332 -4.558 -2.094 1.00 -0.10 C ATOM 474 CG HIS A 35 -9.327 -4.704 -3.217 1.00 0.06 C ATOM 475 ND1 HIS A 35 -10.597 -4.945 -3.066 1.00 -0.06 N ATOM 476 CD2 HIS A 35 -9.113 -4.627 -4.534 1.00 -0.04 C ATOM 477 CE1 HIS A 35 -11.215 -5.019 -4.207 1.00 0.11 C ATOM 478 NE2 HIS A 35 -10.277 -4.819 -5.085 1.00 -0.06 N ATOM 0 H HIS A 35 -7.007 -3.965 -0.061 1.00 -0.46 H new ATOM 0 HA HIS A 35 -8.127 -2.399 -2.084 1.00 0.04 H new ATOM 0 HB2 HIS A 35 -7.323 -4.684 -2.486 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 -8.492 -5.351 -1.364 1.00 -0.10 H new ATOM 0 HD2 HIS A 35 -8.174 -4.444 -5.035 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 -12.264 -5.204 -4.385 1.00 0.11 H new ATOM 0 HE2 HIS A 35 -10.435 -4.813 -6.093 1.00 -0.06 H new ATOM 487 N ASN A 36 -10.374 -3.587 0.075 1.00 -0.46 N ATOM 488 CA ASN A 36 -11.775 -3.426 0.470 1.00 0.04 C ATOM 489 C ASN A 36 -12.121 -1.977 0.738 1.00 0.62 C ATOM 490 O ASN A 36 -13.210 -1.572 0.365 1.00 -0.50 O ATOM 491 CB ASN A 36 -12.103 -4.248 1.747 1.00 -0.09 C ATOM 492 CG ASN A 36 -13.574 -4.312 2.078 1.00 0.68 C ATOM 493 OD1 ASN A 36 -14.402 -3.910 1.279 1.00 -0.47 O ATOM 494 ND2 ASN A 36 -13.936 -4.833 3.268 1.00 -0.87 N ATOM 0 H ASN A 36 -9.834 -4.227 0.657 1.00 -0.46 H new ATOM 0 HA ASN A 36 -12.369 -3.792 -0.368 1.00 0.04 H new ATOM 0 HB2 ASN A 36 -11.726 -5.263 1.620 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 -11.570 -3.813 2.593 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 -14.923 -4.898 3.517 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 -13.223 -5.162 3.919 1.00 -0.87 H new ATOM 501 N GLN A 37 -11.219 -1.194 1.379 1.00 -0.46 N ATOM 502 CA GLN A 37 -11.521 0.201 1.712 1.00 0.04 C ATOM 503 C GLN A 37 -10.667 1.181 0.932 1.00 0.62 C ATOM 504 O GLN A 37 -10.299 2.218 1.459 1.00 -0.50 O ATOM 505 CB GLN A 37 -11.605 0.417 3.255 1.00 -0.10 C ATOM 506 CG GLN A 37 -10.581 -0.368 4.125 1.00 -0.10 C ATOM 507 CD GLN A 37 -9.119 -0.085 3.878 1.00 0.68 C ATOM 508 OE1 GLN A 37 -8.763 0.622 2.952 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -8.226 -0.640 4.724 1.00 -0.87 N ATOM 0 H GLN A 37 -10.292 -1.508 1.668 1.00 -0.46 H new ATOM 0 HA GLN A 37 -12.527 0.436 1.364 1.00 0.04 H new ATOM 0 HB2 GLN A 37 -11.479 1.481 3.457 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 -12.609 0.146 3.583 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 -10.795 -0.159 5.173 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 -10.751 -1.434 3.971 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 -8.549 -1.228 5.492 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 -7.228 -0.471 4.595 1.00 -0.87 H new ATOM 518 N ALA A 38 -10.390 0.880 -0.360 1.00 -0.46 N ATOM 519 CA ALA A 38 -9.776 1.859 -1.261 1.00 0.04 C ATOM 520 C ALA A 38 -10.781 2.150 -2.354 1.00 0.62 C ATOM 521 O ALA A 38 -10.482 1.926 -3.517 1.00 -0.50 O ATOM 522 CB ALA A 38 -8.453 1.272 -1.807 1.00 -0.10 C ATOM 0 H ALA A 38 -10.583 -0.025 -0.789 1.00 -0.46 H new ATOM 0 HA ALA A 38 -9.527 2.793 -0.758 1.00 0.04 H new ATOM 0 HB1 ALA A 38 -7.986 1.992 -2.479 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 -7.779 1.060 -0.977 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 -8.661 0.350 -2.350 1.00 -0.10 H new ATOM 528 N ARG A 39 -11.996 2.620 -1.976 1.00 -0.46 N ATOM 529 CA ARG A 39 -13.109 2.701 -2.927 1.00 0.04 C ATOM 530 C ARG A 39 -13.566 4.128 -3.162 1.00 0.62 C ATOM 531 O ARG A 39 -13.585 4.554 -4.305 1.00 -0.50 O ATOM 532 CB ARG A 39 -14.298 1.837 -2.418 1.00 -0.08 C ATOM 533 CG ARG A 39 -13.886 0.412 -1.943 1.00 -0.10 C ATOM 534 CD ARG A 39 -13.172 -0.473 -3.005 1.00 -0.23 C ATOM 535 NE ARG A 39 -13.999 -0.753 -4.183 1.00 -0.32 N ATOM 536 CZ ARG A 39 -13.569 -1.412 -5.237 1.00 0.76 C ATOM 537 NH1 ARG A 39 -12.358 -1.907 -5.321 1.00 -0.62 N ATOM 538 NH2 ARG A 39 -14.380 -1.588 -6.252 1.00 -0.62 N ATOM 0 H ARG A 39 -12.218 2.941 -1.034 1.00 -0.46 H new ATOM 0 HA ARG A 39 -12.752 2.317 -3.883 1.00 0.04 H new ATOM 0 HB2 ARG A 39 -14.785 2.357 -1.593 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 -15.035 1.744 -3.216 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 -13.228 0.513 -1.080 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 -14.780 -0.110 -1.603 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 -12.256 0.024 -3.324 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 -12.880 -1.416 -2.543 1.00 -0.23 H new ATOM 0 HE ARG A 39 -14.962 -0.418 -4.185 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 -11.704 -1.788 -4.548 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 -12.070 -2.411 -6.160 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 -15.329 -1.216 -6.217 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 -14.062 -2.097 -7.077 1.00 -0.62 H new ATOM 552 N SER A 40 -13.953 4.911 -2.131 1.00 -0.46 N ATOM 553 CA SER A 40 -14.392 6.283 -2.398 1.00 0.04 C ATOM 554 C SER A 40 -13.233 7.102 -2.923 1.00 0.62 C ATOM 555 O SER A 40 -12.094 6.743 -2.666 1.00 -0.50 O ATOM 556 CB SER A 40 -14.976 6.967 -1.133 1.00 0.02 C ATOM 557 OG SER A 40 -15.291 8.349 -1.381 1.00 -0.55 O ATOM 0 H SER A 40 -13.969 4.627 -1.151 1.00 -0.46 H new ATOM 0 HA SER A 40 -15.184 6.231 -3.145 1.00 0.04 H new ATOM 0 HB2 SER A 40 -15.875 6.439 -0.814 1.00 0.02 H new ATOM 0 HB3 SER A 40 -14.258 6.897 -0.316 1.00 0.02 H new ATOM 0 HG SER A 40 -15.658 8.752 -0.567 1.00 -0.55 H new ATOM 563 N GLN A 41 -13.469 8.206 -3.670 1.00 -0.46 N ATOM 564 CA GLN A 41 -12.342 9.044 -4.088 1.00 0.04 C ATOM 565 C GLN A 41 -11.601 9.483 -2.842 1.00 0.62 C ATOM 566 O GLN A 41 -10.381 9.473 -2.832 1.00 -0.50 O ATOM 567 CB GLN A 41 -12.800 10.293 -4.891 1.00 -0.10 C ATOM 568 CG GLN A 41 -11.591 11.072 -5.483 1.00 -0.10 C ATOM 569 CD GLN A 41 -11.967 12.426 -6.037 1.00 0.68 C ATOM 570 OE1 GLN A 41 -11.412 13.420 -5.598 1.00 -0.47 O ATOM 571 NE2 GLN A 41 -12.899 12.517 -7.007 1.00 -0.87 N ATOM 0 H GLN A 41 -14.389 8.520 -3.980 1.00 -0.46 H new ATOM 0 HA GLN A 41 -11.700 8.461 -4.748 1.00 0.04 H new ATOM 0 HB2 GLN A 41 -13.464 9.983 -5.698 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 -13.375 10.953 -4.241 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 -10.836 11.201 -4.708 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 -11.136 10.477 -6.275 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 -13.351 11.674 -7.360 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 -13.152 13.429 -7.387 1.00 -0.87 H new ATOM 580 N SER A 42 -12.333 9.860 -1.770 1.00 -0.46 N ATOM 581 CA SER A 42 -11.666 10.235 -0.524 1.00 0.04 C ATOM 582 C SER A 42 -10.671 9.176 -0.104 1.00 0.62 C ATOM 583 O SER A 42 -9.553 9.518 0.244 1.00 -0.50 O ATOM 584 CB SER A 42 -12.679 10.420 0.636 1.00 0.02 C ATOM 585 OG SER A 42 -11.999 10.671 1.877 1.00 -0.55 O ATOM 0 H SER A 42 -13.352 9.909 -1.749 1.00 -0.46 H new ATOM 0 HA SER A 42 -11.157 11.179 -0.719 1.00 0.04 H new ATOM 0 HB2 SER A 42 -13.349 11.249 0.410 1.00 0.02 H new ATOM 0 HB3 SER A 42 -13.297 9.527 0.730 1.00 0.02 H new ATOM 0 HG SER A 42 -12.658 10.786 2.594 1.00 -0.55 H new ATOM 591 N ASP A 43 -11.048 7.879 -0.140 1.00 -0.46 N ATOM 592 CA ASP A 43 -10.109 6.835 0.269 1.00 0.04 C ATOM 593 C ASP A 43 -8.865 6.929 -0.589 1.00 0.62 C ATOM 594 O ASP A 43 -7.759 6.881 -0.074 1.00 -0.50 O ATOM 595 CB ASP A 43 -10.700 5.408 0.113 1.00 -0.40 C ATOM 596 CG ASP A 43 -12.071 5.228 0.703 1.00 0.71 C ATOM 597 OD1 ASP A 43 -12.447 6.012 1.613 1.00 -0.72 O ATOM 598 OD2 ASP A 43 -12.790 4.300 0.235 1.00 -0.72 O ATOM 0 H ASP A 43 -11.965 7.547 -0.438 1.00 -0.46 H new ATOM 0 HA ASP A 43 -9.885 6.995 1.324 1.00 0.04 H new ATOM 0 HB2 ASP A 43 -10.740 5.160 -0.948 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 -10.021 4.695 0.581 1.00 -0.40 H new ATOM 603 N ARG A 44 -9.045 7.073 -1.921 1.00 -0.46 N ATOM 604 CA ARG A 44 -7.889 7.182 -2.810 1.00 0.04 C ATOM 605 C ARG A 44 -7.059 8.382 -2.411 1.00 0.62 C ATOM 606 O ARG A 44 -5.851 8.247 -2.294 1.00 -0.50 O ATOM 607 CB ARG A 44 -8.305 7.311 -4.306 1.00 -0.08 C ATOM 608 CG ARG A 44 -8.424 5.953 -5.044 1.00 -0.10 C ATOM 609 CD ARG A 44 -9.416 4.940 -4.424 1.00 -0.23 C ATOM 610 NE ARG A 44 -10.768 5.292 -4.857 1.00 -0.32 N ATOM 611 CZ ARG A 44 -11.248 5.048 -6.058 1.00 0.76 C ATOM 612 NH1 ARG A 44 -10.574 4.433 -7.003 1.00 -0.62 N ATOM 613 NH2 ARG A 44 -12.466 5.438 -6.348 1.00 -0.62 N ATOM 0 H ARG A 44 -9.953 7.114 -2.384 1.00 -0.46 H new ATOM 0 HA ARG A 44 -7.307 6.266 -2.709 1.00 0.04 H new ATOM 0 HB2 ARG A 44 -9.262 7.830 -4.363 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 -7.574 7.932 -4.824 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -8.725 6.145 -6.074 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 -7.437 5.492 -5.081 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -9.169 3.926 -4.739 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 -9.349 4.961 -3.336 1.00 -0.23 H new ATOM 0 HE ARG A 44 -11.378 5.757 -4.185 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -9.621 4.115 -6.825 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -11.003 4.274 -7.915 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -13.027 5.923 -5.647 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -12.853 5.257 -7.274 1.00 -0.62 H new ATOM 627 N GLN A 45 -7.669 9.570 -2.208 1.00 -0.46 N ATOM 628 CA GLN A 45 -6.871 10.728 -1.808 1.00 0.04 C ATOM 629 C GLN A 45 -6.157 10.428 -0.509 1.00 0.62 C ATOM 630 O GLN A 45 -4.942 10.539 -0.449 1.00 -0.50 O ATOM 631 CB GLN A 45 -7.712 12.027 -1.646 1.00 -0.10 C ATOM 632 CG GLN A 45 -8.163 12.616 -3.011 1.00 -0.10 C ATOM 633 CD GLN A 45 -7.037 13.206 -3.829 1.00 0.68 C ATOM 634 OE1 GLN A 45 -5.901 13.255 -3.384 1.00 -0.47 O ATOM 635 NE2 GLN A 45 -7.325 13.664 -5.063 1.00 -0.87 N ATOM 0 H GLN A 45 -8.669 9.741 -2.311 1.00 -0.46 H new ATOM 0 HA GLN A 45 -6.156 10.909 -2.611 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -8.591 11.814 -1.037 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -7.125 12.772 -1.108 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -8.647 11.831 -3.592 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -8.912 13.388 -2.832 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -8.281 13.614 -5.416 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -6.587 14.061 -5.645 1.00 -0.87 H new ATOM 644 N SER A 46 -6.903 10.041 0.545 1.00 -0.46 N ATOM 645 CA SER A 46 -6.275 9.760 1.831 1.00 0.04 C ATOM 646 C SER A 46 -5.122 8.796 1.682 1.00 0.62 C ATOM 647 O SER A 46 -4.031 9.094 2.141 1.00 -0.50 O ATOM 648 CB SER A 46 -7.318 9.159 2.808 1.00 0.02 C ATOM 649 OG SER A 46 -8.382 10.088 3.070 1.00 -0.55 O ATOM 0 H SER A 46 -7.916 9.921 0.525 1.00 -0.46 H new ATOM 0 HA SER A 46 -5.891 10.701 2.226 1.00 0.04 H new ATOM 0 HB2 SER A 46 -7.729 8.242 2.386 1.00 0.02 H new ATOM 0 HB3 SER A 46 -6.829 8.889 3.744 1.00 0.02 H new ATOM 0 HG SER A 46 -8.975 10.135 2.291 1.00 -0.55 H new ATOM 655 N ALA A 47 -5.335 7.625 1.045 1.00 -0.46 N ATOM 656 CA ALA A 47 -4.244 6.663 0.924 1.00 0.04 C ATOM 657 C ALA A 47 -3.133 7.223 0.066 1.00 0.62 C ATOM 658 O ALA A 47 -1.991 7.237 0.498 1.00 -0.50 O ATOM 659 CB ALA A 47 -4.724 5.329 0.307 1.00 -0.10 C ATOM 0 H ALA A 47 -6.219 7.339 0.625 1.00 -0.46 H new ATOM 0 HA ALA A 47 -3.876 6.473 1.932 1.00 0.04 H new ATOM 0 HB1 ALA A 47 -3.883 4.639 0.233 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 -5.497 4.893 0.940 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 -5.130 5.513 -0.687 1.00 -0.10 H new ATOM 665 N CYS A 48 -3.442 7.696 -1.162 1.00 -0.46 N ATOM 666 CA CYS A 48 -2.394 8.252 -2.016 1.00 0.04 C ATOM 667 C CYS A 48 -1.556 9.232 -1.228 1.00 0.62 C ATOM 668 O CYS A 48 -0.339 9.149 -1.254 1.00 -0.50 O ATOM 669 CB CYS A 48 -3.004 9.029 -3.214 1.00 -0.10 C ATOM 670 SG CYS A 48 -1.668 9.831 -4.155 1.00 0.82 S ATOM 0 H CYS A 48 -4.379 7.701 -1.565 1.00 -0.46 H new ATOM 0 HA CYS A 48 -1.792 7.419 -2.378 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -3.560 8.348 -3.858 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -3.711 9.777 -2.855 1.00 -0.10 H new ATOM 675 N ASN A 49 -2.216 10.180 -0.535 1.00 -0.46 N ATOM 676 CA ASN A 49 -1.479 11.214 0.184 1.00 0.04 C ATOM 677 C ASN A 49 -0.721 10.580 1.330 1.00 0.62 C ATOM 678 O ASN A 49 0.426 10.937 1.554 1.00 -0.50 O ATOM 679 CB ASN A 49 -2.467 12.322 0.635 1.00 -0.09 C ATOM 680 CG ASN A 49 -3.235 12.871 -0.549 1.00 0.68 C ATOM 681 OD1 ASN A 49 -2.888 12.591 -1.688 1.00 -0.47 O ATOM 682 ND2 ASN A 49 -4.299 13.666 -0.327 1.00 -0.87 N ATOM 0 H ASN A 49 -3.231 10.244 -0.463 1.00 -0.46 H new ATOM 0 HA ASN A 49 -0.738 11.692 -0.458 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -3.163 11.918 1.370 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -1.919 13.127 1.124 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -4.827 14.043 -1.114 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -4.577 13.891 0.628 1.00 -0.87 H new ATOM 689 N CYS A 50 -1.330 9.610 2.051 1.00 -0.46 N ATOM 690 CA CYS A 50 -0.585 8.895 3.087 1.00 0.04 C ATOM 691 C CYS A 50 0.702 8.382 2.485 1.00 0.62 C ATOM 692 O CYS A 50 1.745 8.573 3.088 1.00 -0.50 O ATOM 693 CB CYS A 50 -1.382 7.693 3.667 1.00 -0.10 C ATOM 694 SG CYS A 50 -0.662 6.978 5.189 1.00 0.82 S ATOM 0 H CYS A 50 -2.301 9.319 1.934 1.00 -0.46 H new ATOM 0 HA CYS A 50 -0.395 9.590 3.905 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -2.401 8.016 3.878 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -1.445 6.913 2.908 1.00 -0.10 H new ATOM 699 N LEU A 51 0.661 7.739 1.296 1.00 -0.46 N ATOM 700 CA LEU A 51 1.900 7.225 0.712 1.00 0.04 C ATOM 701 C LEU A 51 2.834 8.343 0.323 1.00 0.62 C ATOM 702 O LEU A 51 4.029 8.206 0.539 1.00 -0.50 O ATOM 703 CB LEU A 51 1.714 6.367 -0.568 1.00 -0.06 C ATOM 704 CG LEU A 51 1.431 4.873 -0.260 1.00 -0.01 C ATOM 705 CD1 LEU A 51 0.024 4.693 0.362 1.00 -0.11 C ATOM 706 CD2 LEU A 51 1.567 4.036 -1.558 1.00 -0.11 C ATOM 0 H LEU A 51 -0.183 7.573 0.748 1.00 -0.46 H new ATOM 0 HA LEU A 51 2.304 6.597 1.506 1.00 0.04 H new ATOM 0 HB2 LEU A 51 0.890 6.774 -1.155 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 2.611 6.442 -1.183 1.00 -0.06 H new ATOM 0 HG LEU A 51 2.163 4.521 0.467 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 -0.150 3.637 0.569 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -0.038 5.260 1.291 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -0.731 5.056 -0.335 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.367 2.987 -1.337 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 0.851 4.394 -2.298 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 2.578 4.138 -1.952 1.00 -0.11 H new ATOM 718 N LYS A 52 2.321 9.445 -0.270 1.00 -0.46 N ATOM 719 CA LYS A 52 3.223 10.542 -0.616 1.00 0.04 C ATOM 720 C LYS A 52 4.010 10.898 0.631 1.00 0.62 C ATOM 721 O LYS A 52 5.176 11.242 0.517 1.00 -0.50 O ATOM 722 CB LYS A 52 2.513 11.759 -1.272 1.00 -0.10 C ATOM 723 CG LYS A 52 1.925 11.394 -2.669 1.00 -0.16 C ATOM 724 CD LYS A 52 1.142 12.555 -3.346 1.00 -0.18 C ATOM 725 CE LYS A 52 2.007 13.791 -3.727 1.00 -0.04 C ATOM 726 NZ LYS A 52 3.134 13.457 -4.633 1.00 -0.14 N ATOM 0 H LYS A 52 1.339 9.587 -0.505 1.00 -0.46 H new ATOM 0 HA LYS A 52 3.906 10.213 -1.399 1.00 0.04 H new ATOM 0 HB2 LYS A 52 1.713 12.109 -0.620 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 3.221 12.581 -1.378 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 2.739 11.086 -3.326 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 1.261 10.536 -2.560 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 0.662 12.174 -4.247 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 0.347 12.879 -2.674 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 1.373 14.537 -4.206 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 2.402 14.245 -2.818 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 3.579 14.334 -4.972 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 3.837 12.889 -4.118 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 2.777 12.914 -5.445 1.00 -0.14 H new ATOM 740 N GLY A 53 3.406 10.773 1.837 1.00 -0.46 N ATOM 741 CA GLY A 53 4.201 10.845 3.062 1.00 0.04 C ATOM 742 C GLY A 53 5.043 9.600 3.274 1.00 0.62 C ATOM 743 O GLY A 53 6.251 9.727 3.393 1.00 -0.50 O ATOM 0 H GLY A 53 2.406 10.627 1.976 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 4.852 11.719 3.020 1.00 0.04 H new ATOM 0 HA3 GLY A 53 3.538 10.982 3.916 1.00 0.04 H new ATOM 747 N ILE A 54 4.437 8.388 3.352 1.00 -0.46 N ATOM 748 CA ILE A 54 5.196 7.183 3.708 1.00 0.04 C ATOM 749 C ILE A 54 5.900 6.630 2.479 1.00 0.62 C ATOM 750 O ILE A 54 7.035 7.024 2.267 1.00 -0.50 O ATOM 751 CB ILE A 54 4.371 6.128 4.522 1.00 -0.01 C ATOM 752 CG1 ILE A 54 3.964 6.625 5.948 1.00 -0.05 C ATOM 753 CG2 ILE A 54 5.180 4.808 4.714 1.00 -0.09 C ATOM 754 CD1 ILE A 54 3.011 7.846 5.986 1.00 -0.09 C ATOM 0 H ILE A 54 3.445 8.230 3.175 1.00 -0.46 H new ATOM 0 HA ILE A 54 5.971 7.471 4.418 1.00 0.04 H new ATOM 0 HB ILE A 54 3.471 5.962 3.931 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 3.489 5.800 6.479 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 4.871 6.878 6.497 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 4.583 4.095 5.282 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 5.421 4.384 3.739 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 6.102 5.022 5.255 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 2.794 8.106 7.022 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 3.485 8.693 5.491 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 2.082 7.599 5.472 1.00 -0.09 H new ATOM 766 N ALA A 55 5.311 5.722 1.659 1.00 -0.46 N ATOM 767 CA ALA A 55 6.086 5.037 0.616 1.00 0.04 C ATOM 768 C ALA A 55 7.029 5.954 -0.126 1.00 0.62 C ATOM 769 O ALA A 55 8.195 5.627 -0.275 1.00 -0.50 O ATOM 770 CB ALA A 55 5.193 4.387 -0.474 1.00 -0.10 C ATOM 0 H ALA A 55 4.327 5.458 1.704 1.00 -0.46 H new ATOM 0 HA ALA A 55 6.639 4.281 1.174 1.00 0.04 H new ATOM 0 HB1 ALA A 55 5.823 3.897 -1.216 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 4.535 3.650 -0.013 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 4.593 5.157 -0.959 1.00 -0.10 H new ATOM 776 N ARG A 56 6.540 7.116 -0.607 1.00 -0.46 N ATOM 777 CA ARG A 56 7.418 7.982 -1.394 1.00 0.04 C ATOM 778 C ARG A 56 8.530 8.499 -0.504 1.00 0.62 C ATOM 779 O ARG A 56 9.668 8.560 -0.943 1.00 -0.50 O ATOM 780 CB ARG A 56 6.603 9.123 -2.062 1.00 -0.08 C ATOM 781 CG ARG A 56 7.307 9.729 -3.305 1.00 -0.10 C ATOM 782 CD ARG A 56 6.421 10.819 -3.979 1.00 -0.23 C ATOM 783 NE ARG A 56 6.702 10.887 -5.419 1.00 -0.32 N ATOM 784 CZ ARG A 56 6.292 9.987 -6.291 1.00 0.76 C ATOM 785 NH1 ARG A 56 5.588 8.935 -5.958 1.00 -0.62 N ATOM 786 NH2 ARG A 56 6.599 10.136 -7.556 1.00 -0.62 N ATOM 0 H ARG A 56 5.589 7.458 -0.470 1.00 -0.46 H new ATOM 0 HA ARG A 56 7.875 7.417 -2.206 1.00 0.04 H new ATOM 0 HB2 ARG A 56 5.626 8.739 -2.357 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 6.428 9.912 -1.331 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 8.262 10.164 -3.009 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 7.526 8.939 -4.023 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 5.367 10.591 -3.818 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 6.612 11.788 -3.518 1.00 -0.23 H new ATOM 0 HE ARG A 56 7.246 11.677 -5.765 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 5.331 8.781 -4.983 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 5.296 8.269 -6.674 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 7.149 10.941 -7.856 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 6.288 9.447 -8.241 1.00 -0.62 H new ATOM 800 N GLY A 57 8.223 8.858 0.765 1.00 -0.46 N ATOM 801 CA GLY A 57 9.278 9.251 1.700 1.00 0.04 C ATOM 802 C GLY A 57 10.166 8.099 2.125 1.00 0.62 C ATOM 803 O GLY A 57 11.294 8.360 2.516 1.00 -0.50 O ATOM 0 H GLY A 57 7.278 8.881 1.148 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 9.893 10.023 1.238 1.00 0.04 H new ATOM 0 HA3 GLY A 57 8.822 9.694 2.585 1.00 0.04 H new ATOM 807 N ILE A 58 9.709 6.824 2.081 1.00 -0.46 N ATOM 808 CA ILE A 58 10.591 5.706 2.431 1.00 0.04 C ATOM 809 C ILE A 58 11.693 5.683 1.390 1.00 0.62 C ATOM 810 O ILE A 58 11.567 4.973 0.405 1.00 -0.50 O ATOM 811 CB ILE A 58 9.851 4.329 2.529 1.00 -0.01 C ATOM 812 CG1 ILE A 58 8.740 4.290 3.628 1.00 -0.05 C ATOM 813 CG2 ILE A 58 10.839 3.142 2.733 1.00 -0.09 C ATOM 814 CD1 ILE A 58 9.249 4.307 5.095 1.00 -0.09 C ATOM 0 H ILE A 58 8.761 6.558 1.814 1.00 -0.46 H new ATOM 0 HA ILE A 58 10.994 5.859 3.432 1.00 0.04 H new ATOM 0 HB ILE A 58 9.356 4.214 1.565 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 8.079 5.144 3.482 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 8.139 3.393 3.481 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 10.279 2.209 2.795 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 11.530 3.095 1.891 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 11.400 3.290 3.656 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 8.398 4.277 5.776 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 9.884 3.439 5.270 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 9.822 5.217 5.271 1.00 -0.09 H new ATOM 826 N HIS A 59 12.801 6.442 1.568 1.00 -0.46 N ATOM 827 CA HIS A 59 13.918 6.390 0.612 1.00 0.04 C ATOM 828 C HIS A 59 14.726 5.110 0.750 1.00 0.62 C ATOM 829 O HIS A 59 15.929 5.176 0.942 1.00 -0.50 O ATOM 830 CB HIS A 59 14.809 7.655 0.766 1.00 -0.10 C ATOM 831 CG HIS A 59 15.512 7.785 2.098 1.00 0.06 C ATOM 832 ND1 HIS A 59 15.496 6.977 3.164 1.00 -0.06 N flip ATOM 833 CD2 HIS A 59 16.290 8.781 2.407 1.00 -0.04 C flip ATOM 834 CE1 HIS A 59 16.270 7.547 4.041 1.00 0.11 C flip ATOM 835 NE2 HIS A 59 16.777 8.663 3.606 1.00 -0.06 N flip ATOM 0 H HIS A 59 12.939 7.083 2.350 1.00 -0.46 H new ATOM 0 HA HIS A 59 13.503 6.382 -0.396 1.00 0.04 H new ATOM 0 HB2 HIS A 59 15.559 7.650 -0.025 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 14.189 8.538 0.612 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 16.505 9.607 1.746 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 16.469 7.139 5.021 1.00 0.11 H new ATOM 0 HE2 HIS A 59 17.410 9.298 4.093 1.00 -0.06 H new ATOM 844 N ASN A 60 14.064 3.935 0.653 1.00 -0.46 N ATOM 845 CA ASN A 60 14.700 2.638 0.920 1.00 0.04 C ATOM 846 C ASN A 60 13.627 1.584 0.706 1.00 0.62 C ATOM 847 O ASN A 60 13.245 0.910 1.649 1.00 -0.50 O ATOM 848 CB ASN A 60 15.268 2.562 2.369 1.00 -0.09 C ATOM 849 CG ASN A 60 16.073 1.301 2.593 1.00 0.68 C ATOM 850 OD1 ASN A 60 17.291 1.374 2.626 1.00 -0.47 O ATOM 851 ND2 ASN A 60 15.444 0.119 2.751 1.00 -0.87 N ATOM 0 H ASN A 60 13.081 3.866 0.389 1.00 -0.46 H new ATOM 0 HA ASN A 60 15.549 2.484 0.254 1.00 0.04 H new ATOM 0 HB2 ASN A 60 15.896 3.432 2.559 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 14.446 2.600 3.084 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 15.987 -0.732 2.901 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 14.425 0.075 2.721 1.00 -0.87 H new ATOM 858 N LEU A 61 13.095 1.479 -0.532 1.00 -0.46 N ATOM 859 CA LEU A 61 11.885 0.690 -0.770 1.00 0.04 C ATOM 860 C LEU A 61 12.205 -0.363 -1.809 1.00 0.62 C ATOM 861 O LEU A 61 12.370 -0.002 -2.963 1.00 -0.50 O ATOM 862 CB LEU A 61 10.778 1.691 -1.215 1.00 -0.06 C ATOM 863 CG LEU A 61 9.331 1.126 -1.117 1.00 -0.01 C ATOM 864 CD1 LEU A 61 8.283 2.233 -1.413 1.00 -0.11 C ATOM 865 CD2 LEU A 61 9.111 -0.072 -2.077 1.00 -0.11 C ATOM 0 H LEU A 61 13.483 1.925 -1.363 1.00 -0.46 H new ATOM 0 HA LEU A 61 11.528 0.160 0.113 1.00 0.04 H new ATOM 0 HB2 LEU A 61 10.848 2.589 -0.601 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 10.969 1.993 -2.245 1.00 -0.06 H new ATOM 0 HG LEU A 61 9.199 0.771 -0.095 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 7.280 1.814 -1.338 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 8.393 3.041 -0.690 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 8.439 2.623 -2.419 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 8.088 -0.436 -1.977 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 9.283 0.249 -3.104 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 9.807 -0.872 -1.826 1.00 -0.11 H new ATOM 877 N ASN A 62 12.301 -1.664 -1.444 1.00 -0.46 N ATOM 878 CA ASN A 62 12.596 -2.686 -2.451 1.00 0.04 C ATOM 879 C ASN A 62 11.355 -2.910 -3.292 1.00 0.62 C ATOM 880 O ASN A 62 10.678 -3.912 -3.123 1.00 -0.50 O ATOM 881 CB ASN A 62 13.120 -3.975 -1.758 1.00 -0.09 C ATOM 882 CG ASN A 62 13.599 -5.008 -2.749 1.00 0.68 C ATOM 883 OD1 ASN A 62 13.241 -4.949 -3.914 1.00 -0.47 O ATOM 884 ND2 ASN A 62 14.417 -5.987 -2.312 1.00 -0.87 N ATOM 0 H ASN A 62 12.182 -2.013 -0.493 1.00 -0.46 H new ATOM 0 HA ASN A 62 13.390 -2.361 -3.123 1.00 0.04 H new ATOM 0 HB2 ASN A 62 13.937 -3.716 -1.085 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 12.326 -4.403 -1.146 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 14.751 -6.700 -2.960 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 14.702 -6.014 -1.333 1.00 -0.87 H new ATOM 891 N GLU A 63 11.032 -1.966 -4.207 1.00 -0.46 N ATOM 892 CA GLU A 63 9.793 -2.070 -4.978 1.00 0.04 C ATOM 893 C GLU A 63 9.643 -3.396 -5.694 1.00 0.62 C ATOM 894 O GLU A 63 8.536 -3.909 -5.770 1.00 -0.50 O ATOM 895 CB GLU A 63 9.624 -0.902 -5.992 1.00 -0.18 C ATOM 896 CG GLU A 63 10.652 -0.928 -7.156 1.00 -0.40 C ATOM 897 CD GLU A 63 10.375 0.193 -8.124 1.00 0.71 C ATOM 898 OE1 GLU A 63 9.361 0.088 -8.870 1.00 -0.72 O ATOM 899 OE2 GLU A 63 11.159 1.178 -8.161 1.00 -0.72 O ATOM 0 H GLU A 63 11.603 -1.147 -4.419 1.00 -0.46 H new ATOM 0 HA GLU A 63 8.998 -2.003 -4.235 1.00 0.04 H new ATOM 0 HB2 GLU A 63 8.617 -0.937 -6.408 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 9.716 0.045 -5.460 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 11.663 -0.834 -6.759 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 10.601 -1.886 -7.674 1.00 -0.40 H new ATOM 906 N ASP A 64 10.736 -3.976 -6.238 1.00 -0.46 N ATOM 907 CA ASP A 64 10.594 -5.235 -6.965 1.00 0.04 C ATOM 908 C ASP A 64 10.167 -6.321 -6.001 1.00 0.62 C ATOM 909 O ASP A 64 9.163 -6.976 -6.237 1.00 -0.50 O ATOM 910 CB ASP A 64 11.906 -5.612 -7.700 1.00 -0.40 C ATOM 911 CG ASP A 64 11.698 -6.891 -8.464 1.00 0.71 C ATOM 912 OD1 ASP A 64 11.181 -6.816 -9.611 1.00 -0.72 O ATOM 913 OD2 ASP A 64 12.040 -7.973 -7.917 1.00 -0.72 O ATOM 0 H ASP A 64 11.684 -3.604 -6.187 1.00 -0.46 H new ATOM 0 HA ASP A 64 9.827 -5.120 -7.731 1.00 0.04 H new ATOM 0 HB2 ASP A 64 12.198 -4.812 -8.380 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 12.717 -5.732 -6.982 1.00 -0.40 H new ATOM 918 N ASN A 65 10.909 -6.517 -4.887 1.00 -0.46 N ATOM 919 CA ASN A 65 10.492 -7.524 -3.912 1.00 0.04 C ATOM 920 C ASN A 65 9.071 -7.225 -3.486 1.00 0.62 C ATOM 921 O ASN A 65 8.240 -8.118 -3.485 1.00 -0.50 O ATOM 922 CB ASN A 65 11.417 -7.517 -2.664 1.00 -0.09 C ATOM 923 CG ASN A 65 11.082 -8.583 -1.652 1.00 0.68 C ATOM 924 OD1 ASN A 65 10.487 -9.584 -2.016 1.00 -0.47 O ATOM 925 ND2 ASN A 65 11.461 -8.410 -0.368 1.00 -0.87 N ATOM 0 H ASN A 65 11.763 -6.010 -4.655 1.00 -0.46 H new ATOM 0 HA ASN A 65 10.557 -8.509 -4.374 1.00 0.04 H new ATOM 0 HB2 ASN A 65 12.449 -7.648 -2.988 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 11.356 -6.541 -2.183 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 11.251 -9.127 0.327 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 11.957 -7.563 -0.093 1.00 -0.87 H new ATOM 932 N ALA A 66 8.777 -5.955 -3.129 1.00 -0.46 N ATOM 933 CA ALA A 66 7.435 -5.604 -2.666 1.00 0.04 C ATOM 934 C ALA A 66 6.360 -6.096 -3.612 1.00 0.62 C ATOM 935 O ALA A 66 5.381 -6.653 -3.138 1.00 -0.50 O ATOM 936 CB ALA A 66 7.292 -4.070 -2.533 1.00 -0.10 C ATOM 0 H ALA A 66 9.439 -5.180 -3.154 1.00 -0.46 H new ATOM 0 HA ALA A 66 7.305 -6.087 -1.698 1.00 0.04 H new ATOM 0 HB1 ALA A 66 6.287 -3.827 -2.187 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 8.023 -3.697 -1.815 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 7.465 -3.603 -3.503 1.00 -0.10 H new ATOM 942 N ARG A 67 6.519 -5.909 -4.945 1.00 -0.46 N ATOM 943 CA ARG A 67 5.502 -6.409 -5.877 1.00 0.04 C ATOM 944 C ARG A 67 5.144 -7.855 -5.591 1.00 0.62 C ATOM 945 O ARG A 67 4.017 -8.226 -5.873 1.00 -0.50 O ATOM 946 CB ARG A 67 5.889 -6.303 -7.390 1.00 -0.08 C ATOM 947 CG ARG A 67 5.192 -5.129 -8.143 1.00 -0.10 C ATOM 948 CD ARG A 67 5.804 -3.726 -7.865 1.00 -0.23 C ATOM 949 NE ARG A 67 7.077 -3.551 -8.578 1.00 -0.32 N ATOM 950 CZ ARG A 67 7.622 -2.385 -8.852 1.00 0.76 C ATOM 951 NH1 ARG A 67 7.124 -1.243 -8.447 1.00 -0.62 N ATOM 952 NH2 ARG A 67 8.719 -2.356 -9.570 1.00 -0.62 N ATOM 0 H ARG A 67 7.311 -5.434 -5.378 1.00 -0.46 H new ATOM 0 HA ARG A 67 4.651 -5.751 -5.704 1.00 0.04 H new ATOM 0 HB2 ARG A 67 6.969 -6.182 -7.470 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 5.636 -7.240 -7.886 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 5.237 -5.325 -9.214 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 4.138 -5.112 -7.866 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 5.102 -2.952 -8.174 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 5.964 -3.602 -6.794 1.00 -0.23 H new ATOM 0 HE ARG A 67 7.572 -4.390 -8.881 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 6.270 -1.228 -7.889 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 7.590 -0.369 -8.690 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 9.133 -3.226 -9.904 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 9.158 -1.463 -9.794 1.00 -0.62 H new ATOM 966 N SER A 68 6.054 -8.699 -5.058 1.00 -0.46 N ATOM 967 CA SER A 68 5.692 -10.094 -4.790 1.00 0.04 C ATOM 968 C SER A 68 4.585 -10.248 -3.763 1.00 0.62 C ATOM 969 O SER A 68 3.897 -11.255 -3.797 1.00 -0.50 O ATOM 970 CB SER A 68 6.926 -10.895 -4.304 1.00 0.02 C ATOM 971 OG SER A 68 6.597 -12.294 -4.237 1.00 -0.55 O ATOM 0 H SER A 68 7.011 -8.444 -4.814 1.00 -0.46 H new ATOM 0 HA SER A 68 5.323 -10.485 -5.738 1.00 0.04 H new ATOM 0 HB2 SER A 68 7.764 -10.740 -4.984 1.00 0.02 H new ATOM 0 HB3 SER A 68 7.241 -10.538 -3.324 1.00 0.02 H new ATOM 0 HG SER A 68 7.379 -12.800 -3.931 1.00 -0.55 H new ATOM 977 N ILE A 69 4.377 -9.298 -2.822 1.00 -0.46 N ATOM 978 CA ILE A 69 3.346 -9.496 -1.793 1.00 0.04 C ATOM 979 C ILE A 69 1.964 -9.776 -2.370 1.00 0.62 C ATOM 980 O ILE A 69 1.431 -10.815 -2.011 1.00 -0.50 O ATOM 981 CB ILE A 69 3.328 -8.371 -0.709 1.00 -0.01 C ATOM 982 CG1 ILE A 69 4.611 -8.446 0.173 1.00 -0.05 C ATOM 983 CG2 ILE A 69 2.044 -8.470 0.170 1.00 -0.09 C ATOM 984 CD1 ILE A 69 4.903 -7.123 0.929 1.00 -0.09 C ATOM 0 H ILE A 69 4.891 -8.420 -2.758 1.00 -0.46 H new ATOM 0 HA ILE A 69 3.641 -10.406 -1.271 1.00 0.04 H new ATOM 0 HB ILE A 69 3.315 -7.406 -1.215 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 4.502 -9.255 0.896 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 5.465 -8.694 -0.457 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 2.053 -7.677 0.918 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 1.162 -8.364 -0.461 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 2.018 -9.439 0.669 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 5.808 -7.237 1.526 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 5.042 -6.316 0.210 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 4.064 -6.885 1.583 1.00 -0.09 H new ATOM 996 N PRO A 70 1.306 -8.931 -3.208 1.00 -0.23 N ATOM 997 CA PRO A 70 -0.019 -9.284 -3.706 1.00 0.04 C ATOM 998 C PRO A 70 -0.153 -10.659 -4.351 1.00 0.53 C ATOM 999 O PRO A 70 -0.994 -11.404 -3.868 1.00 -0.50 O ATOM 1000 CB PRO A 70 -0.370 -8.047 -4.581 1.00 -0.12 C ATOM 1001 CG PRO A 70 0.934 -7.220 -4.739 1.00 -0.12 C ATOM 1002 CD PRO A 70 1.786 -7.591 -3.503 1.00 -0.01 C ATOM 0 HA PRO A 70 -0.750 -9.450 -2.914 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -0.750 -8.358 -5.554 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 -1.151 -7.450 -4.110 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 1.451 -7.469 -5.666 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 0.724 -6.151 -4.769 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 2.854 -7.577 -3.722 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 1.623 -6.905 -2.672 1.00 -0.01 H new ATOM 1010 N PRO A 71 0.607 -11.104 -5.389 1.00 -0.23 N ATOM 1011 CA PRO A 71 0.521 -12.498 -5.817 1.00 0.04 C ATOM 1012 C PRO A 71 1.202 -13.309 -4.739 1.00 0.53 C ATOM 1013 O PRO A 71 1.368 -12.755 -3.667 1.00 -0.50 O ATOM 1014 CB PRO A 71 1.315 -12.408 -7.145 1.00 -0.12 C ATOM 1015 CG PRO A 71 2.395 -11.352 -6.829 1.00 -0.12 C ATOM 1016 CD PRO A 71 1.609 -10.282 -6.036 1.00 -0.01 C ATOM 0 HA PRO A 71 -0.459 -12.954 -5.960 1.00 0.04 H new ATOM 0 HB2 PRO A 71 1.755 -13.367 -7.418 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 0.680 -12.100 -7.976 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 3.211 -11.772 -6.241 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 2.835 -10.940 -7.737 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 2.238 -9.755 -5.318 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 1.167 -9.527 -6.687 1.00 -0.01 H new ATOM 1024 N LYS A 72 1.594 -14.589 -4.922 1.00 -0.46 N ATOM 1025 CA LYS A 72 2.186 -15.342 -3.806 1.00 0.04 C ATOM 1026 C LYS A 72 1.132 -15.514 -2.726 1.00 0.62 C ATOM 1027 O LYS A 72 0.634 -16.618 -2.570 1.00 -0.50 O ATOM 1028 CB LYS A 72 3.535 -14.729 -3.317 1.00 -0.10 C ATOM 1029 CG LYS A 72 4.157 -15.515 -2.131 1.00 -0.16 C ATOM 1030 CD LYS A 72 5.567 -14.986 -1.728 1.00 -0.18 C ATOM 1031 CE LYS A 72 5.629 -13.502 -1.254 1.00 -0.04 C ATOM 1032 NZ LYS A 72 4.750 -13.214 -0.096 1.00 -0.14 N ATOM 0 H LYS A 72 1.514 -15.103 -5.799 1.00 -0.46 H new ATOM 0 HA LYS A 72 2.478 -16.338 -4.140 1.00 0.04 H new ATOM 0 HB2 LYS A 72 4.242 -14.711 -4.146 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 3.371 -13.695 -3.015 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 3.491 -15.452 -1.270 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 4.232 -16.569 -2.399 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 5.956 -15.618 -0.930 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 6.235 -15.102 -2.582 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 6.657 -13.256 -0.989 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 5.349 -12.852 -2.083 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 4.840 -12.212 0.167 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 3.763 -13.418 -0.350 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 5.030 -13.810 0.709 1.00 -0.14 H new ATOM 1046 N CYS A 73 0.736 -14.459 -1.975 1.00 -0.46 N ATOM 1047 CA CYS A 73 -0.426 -14.588 -1.097 1.00 0.04 C ATOM 1048 C CYS A 73 -1.669 -14.768 -1.949 1.00 0.62 C ATOM 1049 O CYS A 73 -2.493 -15.597 -1.596 1.00 -0.50 O ATOM 1050 CB CYS A 73 -0.606 -13.353 -0.177 1.00 -0.10 C ATOM 1051 SG CYS A 73 -1.890 -13.751 1.057 1.00 0.82 S ATOM 0 H CYS A 73 1.191 -13.546 -1.964 1.00 -0.46 H new ATOM 0 HA CYS A 73 -0.267 -15.454 -0.454 1.00 0.04 H new ATOM 0 HB2 CYS A 73 0.334 -13.106 0.317 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -0.897 -12.481 -0.762 1.00 -0.10 H new ATOM 1056 N GLY A 74 -1.817 -14.005 -3.060 1.00 -0.46 N ATOM 1057 CA GLY A 74 -2.930 -14.219 -3.993 1.00 0.04 C ATOM 1058 C GLY A 74 -4.041 -13.201 -3.848 1.00 0.62 C ATOM 1059 O GLY A 74 -5.175 -13.593 -3.628 1.00 -0.50 O ATOM 0 H GLY A 74 -1.185 -13.249 -3.322 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 -2.550 -14.187 -5.014 1.00 0.04 H new ATOM 0 HA3 GLY A 74 -3.339 -15.217 -3.836 1.00 0.04 H new ATOM 1063 N VAL A 75 -3.735 -11.888 -3.978 1.00 -0.46 N ATOM 1064 CA VAL A 75 -4.752 -10.840 -3.816 1.00 0.04 C ATOM 1065 C VAL A 75 -4.174 -9.514 -4.288 1.00 0.62 C ATOM 1066 O VAL A 75 -2.957 -9.434 -4.310 1.00 -0.50 O ATOM 1067 CB VAL A 75 -5.218 -10.821 -2.328 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 -3.998 -10.763 -1.368 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -6.236 -9.686 -2.036 1.00 -0.09 C ATOM 0 H VAL A 75 -2.801 -11.539 -4.192 1.00 -0.46 H new ATOM 0 HA VAL A 75 -5.635 -11.035 -4.425 1.00 0.04 H new ATOM 0 HB VAL A 75 -5.748 -11.756 -2.145 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 -4.348 -10.751 -0.336 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 -3.368 -11.638 -1.527 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 -3.421 -9.860 -1.567 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 -6.527 -9.719 -0.986 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 -5.778 -8.721 -2.255 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 -7.119 -9.819 -2.661 1.00 -0.09 H new ATOM 1079 N ASN A 76 -4.956 -8.479 -4.690 1.00 -0.46 N ATOM 1080 CA ASN A 76 -4.347 -7.274 -5.274 1.00 0.04 C ATOM 1081 C ASN A 76 -5.115 -5.998 -4.990 1.00 0.62 C ATOM 1082 O ASN A 76 -6.204 -6.084 -4.447 1.00 -0.50 O ATOM 1083 CB ASN A 76 -4.226 -7.526 -6.800 1.00 -0.09 C ATOM 1084 CG ASN A 76 -5.605 -7.597 -7.408 1.00 0.68 C ATOM 1085 OD1 ASN A 76 -6.151 -8.684 -7.510 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 -6.210 -6.461 -7.811 1.00 -0.87 N ATOM 0 H ASN A 76 -5.973 -8.459 -4.621 1.00 -0.46 H new ATOM 0 HA ASN A 76 -3.373 -7.112 -4.812 1.00 0.04 H new ATOM 0 HB2 ASN A 76 -3.651 -6.726 -7.267 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 -3.687 -8.455 -6.985 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 -7.147 -6.497 -8.213 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 -5.731 -5.566 -7.714 1.00 -0.87 H new ATOM 1093 N LEU A 77 -4.554 -4.816 -5.358 1.00 -0.46 N ATOM 1094 CA LEU A 77 -5.236 -3.533 -5.145 1.00 0.04 C ATOM 1095 C LEU A 77 -5.922 -3.070 -6.416 1.00 0.62 C ATOM 1096 O LEU A 77 -5.611 -3.669 -7.435 1.00 -0.50 O ATOM 1097 CB LEU A 77 -4.207 -2.444 -4.735 1.00 -0.06 C ATOM 1098 CG LEU A 77 -3.388 -2.801 -3.462 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 -2.407 -1.630 -3.167 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 -4.294 -3.097 -2.236 1.00 -0.11 C ATOM 0 H LEU A 77 -3.638 -4.736 -5.799 1.00 -0.46 H new ATOM 0 HA LEU A 77 -5.975 -3.678 -4.357 1.00 0.04 H new ATOM 0 HB2 LEU A 77 -3.519 -2.278 -5.564 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 -4.734 -1.505 -4.565 1.00 -0.06 H new ATOM 0 HG LEU A 77 -2.832 -3.720 -3.648 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 -1.822 -1.861 -2.277 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 -1.737 -1.494 -4.016 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 -2.974 -0.714 -3.002 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 -3.672 -3.341 -1.374 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 -4.899 -2.219 -2.010 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 -4.948 -3.940 -2.462 1.00 -0.11 H new ATOM 1112 N PRO A 78 -6.834 -2.056 -6.458 1.00 -0.23 N ATOM 1113 CA PRO A 78 -7.432 -1.681 -7.731 1.00 0.04 C ATOM 1114 C PRO A 78 -6.534 -0.809 -8.604 1.00 0.53 C ATOM 1115 O PRO A 78 -6.899 -0.653 -9.758 1.00 -0.50 O ATOM 1116 CB PRO A 78 -8.751 -1.010 -7.238 1.00 -0.12 C ATOM 1117 CG PRO A 78 -8.786 -1.191 -5.700 1.00 -0.12 C ATOM 1118 CD PRO A 78 -7.306 -1.326 -5.288 1.00 -0.01 C ATOM 0 HA PRO A 78 -7.603 -2.509 -8.419 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -8.773 0.047 -7.505 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -9.620 -1.474 -7.703 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -9.257 -0.338 -5.211 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 -9.358 -2.075 -5.418 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 -6.811 -0.363 -5.159 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 -7.172 -1.880 -4.359 1.00 -0.01 H new ATOM 1126 N TYR A 79 -5.384 -0.233 -8.151 1.00 -0.46 N ATOM 1127 CA TYR A 79 -4.517 0.558 -9.052 1.00 0.04 C ATOM 1128 C TYR A 79 -3.038 0.484 -8.688 1.00 0.62 C ATOM 1129 O TYR A 79 -2.710 -0.023 -7.627 1.00 -0.50 O ATOM 1130 CB TYR A 79 -5.003 2.032 -9.210 1.00 -0.10 C ATOM 1131 CG TYR A 79 -5.475 2.617 -7.876 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 -6.711 2.204 -7.378 1.00 0.00 C ATOM 1133 CD2 TYR A 79 -4.728 3.545 -7.146 1.00 0.00 C ATOM 1134 CE1 TYR A 79 -7.050 2.434 -6.046 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 -5.138 3.897 -5.855 1.00 -0.26 C ATOM 1136 CZ TYR A 79 -6.247 3.272 -5.271 1.00 0.46 C ATOM 1137 OH TYR A 79 -6.577 3.500 -3.938 1.00 -0.53 O ATOM 0 H TYR A 79 -5.048 -0.302 -7.190 1.00 -0.46 H new ATOM 0 HA TYR A 79 -4.612 0.084 -10.029 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -4.192 2.642 -9.609 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -5.817 2.071 -9.934 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -7.411 1.702 -8.030 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.841 3.987 -7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.925 1.968 -5.618 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -4.597 4.654 -5.307 1.00 -0.26 H new ATOM 0 HH TYR A 79 -5.969 2.994 -3.359 1.00 -0.53 H new ATOM 1147 N THR A 80 -2.130 0.969 -9.578 1.00 -0.46 N ATOM 1148 CA THR A 80 -0.683 0.770 -9.403 1.00 0.04 C ATOM 1149 C THR A 80 -0.115 1.429 -8.165 1.00 0.62 C ATOM 1150 O THR A 80 0.800 0.865 -7.587 1.00 -0.50 O ATOM 1151 CB THR A 80 0.147 1.262 -10.627 1.00 0.17 C ATOM 1152 OG1 THR A 80 -0.136 2.639 -10.932 1.00 -0.55 O ATOM 1153 CG2 THR A 80 -0.146 0.430 -11.904 1.00 -0.19 C ATOM 0 H THR A 80 -2.382 1.495 -10.415 1.00 -0.46 H new ATOM 0 HA THR A 80 -0.591 -0.311 -9.298 1.00 0.04 H new ATOM 0 HB THR A 80 1.192 1.142 -10.343 1.00 0.17 H new ATOM 0 HG1 THR A 80 0.400 2.920 -11.703 1.00 -0.55 H new ATOM 0 HG21 THR A 80 0.455 0.809 -12.731 1.00 -0.19 H new ATOM 0 HG22 THR A 80 0.104 -0.615 -11.723 1.00 -0.19 H new ATOM 0 HG23 THR A 80 -1.203 0.511 -12.157 1.00 -0.19 H new ATOM 1161 N ILE A 81 -0.633 2.599 -7.723 1.00 -0.46 N ATOM 1162 CA ILE A 81 -0.211 3.156 -6.428 1.00 0.04 C ATOM 1163 C ILE A 81 1.238 3.637 -6.402 1.00 0.62 C ATOM 1164 O ILE A 81 2.019 3.261 -7.262 1.00 -0.50 O ATOM 1165 CB ILE A 81 -0.647 2.138 -5.314 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 -1.954 2.555 -4.570 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 0.511 1.704 -4.377 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 -1.813 3.738 -3.575 1.00 -0.09 C ATOM 0 H ILE A 81 -1.321 3.156 -8.229 1.00 -0.46 H new ATOM 0 HA ILE A 81 -0.720 4.098 -6.224 1.00 0.04 H new ATOM 0 HB ILE A 81 -0.915 1.226 -5.847 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -2.706 2.818 -5.314 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -2.333 1.690 -4.026 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 0.134 1.001 -3.634 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 1.294 1.225 -4.964 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 0.919 2.580 -3.873 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -2.779 3.944 -3.115 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -1.091 3.478 -2.801 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -1.470 4.624 -4.109 1.00 -0.09 H new ATOM 1180 N SER A 82 1.629 4.506 -5.433 1.00 -0.46 N ATOM 1181 CA SER A 82 2.966 5.124 -5.436 1.00 0.04 C ATOM 1182 C SER A 82 4.119 4.209 -5.063 1.00 0.62 C ATOM 1183 O SER A 82 4.801 4.510 -4.095 1.00 -0.50 O ATOM 1184 CB SER A 82 3.002 6.373 -4.501 1.00 0.02 C ATOM 1185 OG SER A 82 4.279 7.041 -4.515 1.00 -0.55 O ATOM 0 H SER A 82 1.038 4.787 -4.650 1.00 -0.46 H new ATOM 0 HA SER A 82 3.120 5.397 -6.480 1.00 0.04 H new ATOM 0 HB2 SER A 82 2.226 7.074 -4.808 1.00 0.02 H new ATOM 0 HB3 SER A 82 2.768 6.066 -3.482 1.00 0.02 H new ATOM 0 HG SER A 82 4.975 6.422 -4.210 1.00 -0.55 H new ATOM 1191 N LEU A 83 4.405 3.128 -5.823 1.00 -0.46 N ATOM 1192 CA LEU A 83 5.691 2.432 -5.683 1.00 0.04 C ATOM 1193 C LEU A 83 6.507 2.802 -6.907 1.00 0.62 C ATOM 1194 O LEU A 83 6.657 1.987 -7.803 1.00 -0.50 O ATOM 1195 CB LEU A 83 5.536 0.896 -5.484 1.00 -0.06 C ATOM 1196 CG LEU A 83 5.480 0.473 -3.985 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 4.207 0.988 -3.260 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 5.586 -1.069 -3.854 1.00 -0.11 C ATOM 0 H LEU A 83 3.776 2.731 -6.521 1.00 -0.46 H new ATOM 0 HA LEU A 83 6.204 2.748 -4.774 1.00 0.04 H new ATOM 0 HB2 LEU A 83 4.627 0.562 -5.983 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 6.370 0.388 -5.967 1.00 -0.06 H new ATOM 0 HG LEU A 83 6.334 0.940 -3.495 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 4.224 0.662 -2.220 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 4.182 2.077 -3.299 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 3.321 0.587 -3.752 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 5.545 -1.348 -2.801 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 4.758 -1.537 -4.386 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 6.530 -1.407 -4.283 1.00 -0.11 H new ATOM 1210 N ASN A 84 7.025 4.055 -6.933 1.00 -0.46 N ATOM 1211 CA ASN A 84 7.804 4.563 -8.070 1.00 0.04 C ATOM 1212 C ASN A 84 6.939 5.085 -9.204 1.00 0.62 C ATOM 1213 O ASN A 84 7.421 5.164 -10.322 1.00 -0.50 O ATOM 1214 CB ASN A 84 8.924 3.584 -8.525 1.00 -0.09 C ATOM 1215 CG ASN A 84 10.063 4.239 -9.275 1.00 0.68 C ATOM 1216 OD1 ASN A 84 10.011 5.421 -9.572 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 11.134 3.486 -9.597 1.00 -0.87 N ATOM 0 H ASN A 84 6.912 4.727 -6.174 1.00 -0.46 H new ATOM 0 HA ASN A 84 8.333 5.442 -7.701 1.00 0.04 H new ATOM 0 HB2 ASN A 84 9.327 3.079 -7.647 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 8.482 2.816 -9.160 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 11.919 3.903 -10.097 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 11.159 2.499 -9.340 1.00 -0.87 H new ATOM 1224 N ILE A 85 5.670 5.480 -8.932 1.00 -0.46 N ATOM 1225 CA ILE A 85 4.855 6.209 -9.915 1.00 0.04 C ATOM 1226 C ILE A 85 4.222 7.318 -9.083 1.00 0.62 C ATOM 1227 O ILE A 85 4.990 7.943 -8.365 1.00 -0.50 O ATOM 1228 CB ILE A 85 3.864 5.287 -10.706 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 4.431 3.873 -11.054 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 3.447 5.994 -12.032 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 4.284 2.840 -9.904 1.00 -0.09 C ATOM 0 H ILE A 85 5.199 5.304 -8.045 1.00 -0.46 H new ATOM 0 HA ILE A 85 5.430 6.624 -10.743 1.00 0.04 H new ATOM 0 HB ILE A 85 3.014 5.127 -10.042 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 3.919 3.494 -11.938 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 5.486 3.968 -11.312 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 2.758 5.355 -12.584 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 2.958 6.941 -11.801 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 4.333 6.181 -12.639 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 4.700 1.883 -10.219 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 4.820 3.196 -9.024 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 3.229 2.715 -9.660 1.00 -0.09 H new ATOM 1243 N ASP A 86 2.893 7.584 -9.060 1.00 -0.46 N ATOM 1244 CA ASP A 86 2.313 8.313 -7.930 1.00 0.04 C ATOM 1245 C ASP A 86 0.945 7.722 -7.643 1.00 0.62 C ATOM 1246 O ASP A 86 0.854 6.880 -6.763 1.00 -0.50 O ATOM 1247 CB ASP A 86 2.363 9.859 -8.070 1.00 -0.40 C ATOM 1248 CG ASP A 86 1.812 10.533 -6.835 1.00 0.71 C ATOM 1249 OD1 ASP A 86 0.618 10.297 -6.499 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 2.560 11.307 -6.174 1.00 -0.72 O ATOM 0 H ASP A 86 2.232 7.312 -9.787 1.00 -0.46 H new ATOM 0 HA ASP A 86 2.935 8.171 -7.046 1.00 0.04 H new ATOM 0 HB2 ASP A 86 3.392 10.180 -8.235 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 1.789 10.167 -8.944 1.00 -0.40 H new ATOM 1255 N CYS A 87 -0.144 8.105 -8.350 1.00 -0.46 N ATOM 1256 CA CYS A 87 -1.467 7.608 -7.966 1.00 0.04 C ATOM 1257 C CYS A 87 -2.489 7.609 -9.086 1.00 0.62 C ATOM 1258 O CYS A 87 -3.029 6.548 -9.353 1.00 -0.50 O ATOM 1259 CB CYS A 87 -2.006 8.486 -6.809 1.00 -0.10 C ATOM 1260 SG CYS A 87 -0.984 8.318 -5.313 1.00 0.82 S ATOM 0 H CYS A 87 -0.129 8.731 -9.155 1.00 -0.46 H new ATOM 0 HA CYS A 87 -1.331 6.567 -7.674 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -2.026 9.530 -7.122 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -3.034 8.201 -6.583 1.00 -0.10 H new ATOM 1265 N SER A 88 -2.807 8.766 -9.718 1.00 -0.46 N ATOM 1266 CA SER A 88 -3.970 8.816 -10.611 1.00 0.04 C ATOM 1267 C SER A 88 -5.150 8.344 -9.791 1.00 0.62 C ATOM 1268 O SER A 88 -5.610 7.228 -9.974 1.00 -0.50 O ATOM 1269 CB SER A 88 -3.760 8.000 -11.914 1.00 0.02 C ATOM 1270 OG SER A 88 -4.885 8.167 -12.795 1.00 -0.55 O ATOM 0 H SER A 88 -2.291 9.641 -9.626 1.00 -0.46 H new ATOM 0 HA SER A 88 -4.142 9.830 -10.973 1.00 0.04 H new ATOM 0 HB2 SER A 88 -2.847 8.327 -12.413 1.00 0.02 H new ATOM 0 HB3 SER A 88 -3.631 6.945 -11.673 1.00 0.02 H new ATOM 0 HG SER A 88 -4.739 7.648 -13.614 1.00 -0.55 H new ATOM 1276 N ARG A 89 -5.626 9.191 -8.848 1.00 -0.46 N ATOM 1277 CA ARG A 89 -6.603 8.728 -7.862 1.00 0.04 C ATOM 1278 C ARG A 89 -7.756 8.065 -8.586 1.00 0.62 C ATOM 1279 O ARG A 89 -8.064 6.918 -8.302 1.00 -0.50 O ATOM 1280 CB ARG A 89 -7.144 9.868 -6.947 1.00 -0.08 C ATOM 1281 CG ARG A 89 -6.175 10.334 -5.814 1.00 -0.10 C ATOM 1282 CD ARG A 89 -4.961 11.174 -6.302 1.00 -0.23 C ATOM 1283 NE ARG A 89 -4.264 11.871 -5.215 1.00 -0.32 N ATOM 1284 CZ ARG A 89 -3.191 12.611 -5.389 1.00 0.76 C ATOM 1285 NH1 ARG A 89 -2.636 12.791 -6.562 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 -2.643 13.193 -4.350 1.00 -0.62 N ATOM 0 H ARG A 89 -5.353 10.170 -8.758 1.00 -0.46 H new ATOM 0 HA ARG A 89 -6.092 8.021 -7.208 1.00 0.04 H new ATOM 0 HB2 ARG A 89 -7.386 10.728 -7.571 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 -8.075 9.533 -6.490 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 -6.740 10.923 -5.091 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 -5.803 9.455 -5.288 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 -4.257 10.519 -6.815 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 -5.305 11.906 -7.033 1.00 -0.23 H new ATOM 0 HE ARG A 89 -4.633 11.776 -4.269 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 -3.036 12.348 -7.389 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 -1.804 13.374 -6.648 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 -3.049 13.069 -3.423 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 -1.810 13.770 -4.469 1.00 -0.62 H new ATOM 1300 N VAL A 90 -8.401 8.780 -9.534 1.00 -0.46 N ATOM 1301 CA VAL A 90 -9.543 8.217 -10.254 1.00 0.04 C ATOM 1302 C VAL A 90 -9.531 8.704 -11.684 1.00 0.62 C ATOM 1303 O VAL A 90 -8.734 9.555 -12.053 1.00 -0.50 O ATOM 1304 CB VAL A 90 -10.876 8.599 -9.547 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 -10.975 7.964 -8.132 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 -11.048 10.140 -9.454 1.00 -0.09 C ATOM 1307 OXT VAL A 90 -10.437 8.148 -12.495 1.00 0.00 O ATOM 0 H VAL A 90 -8.150 9.730 -9.808 1.00 -0.46 H new ATOM 0 HA VAL A 90 -9.466 7.130 -10.254 1.00 0.04 H new ATOM 0 HB VAL A 90 -11.684 8.198 -10.159 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 -11.919 8.253 -7.669 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 -10.929 6.878 -8.216 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 -10.147 8.315 -7.517 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 -11.989 10.372 -8.955 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 -10.221 10.565 -8.885 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 -11.055 10.567 -10.457 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 -0.087 -4.395 -2.377 1.00 -0.12 C HETATM 1320 C2 E2P A 91 -0.293 -3.919 -0.912 1.00 -0.07 C HETATM 1321 C3 E2P A 91 0.567 -4.735 0.095 1.00 -0.07 C HETATM 1322 C4 E2P A 91 1.955 -4.139 0.459 1.00 -0.07 C HETATM 1323 C5 E2P A 91 3.012 -4.078 -0.687 1.00 -0.06 C HETATM 1324 C6 E2P A 91 3.229 -2.739 -1.458 1.00 0.16 C HETATM 1325 O6 E2P A 91 2.331 -2.426 -2.535 1.00 -0.46 O HETATM 1326 C7 E2P A 91 3.507 -1.549 -0.563 1.00 0.02 C HETATM 1327 C8 E2P A 91 2.529 -0.839 0.013 1.00 -0.14 C HETATM 1328 C9 E2P A 91 2.704 0.345 0.876 1.00 0.02 C HETATM 1329 C10 E2P A 91 4.058 0.827 1.341 1.00 -0.01 C HETATM 1330 C11 E2P A 91 3.749 1.943 2.377 1.00 -0.02 C HETATM 1331 C12 E2P A 91 2.287 2.166 2.138 1.00 0.21 C HETATM 1332 O12 E2P A 91 1.674 3.129 2.570 1.00 -0.34 O HETATM 1333 C13 E2P A 91 1.695 1.094 1.334 1.00 -0.11 C HETATM 1334 C14 E2P A 91 0.216 0.866 1.111 1.00 0.04 C HETATM 1335 C15 E2P A 91 -0.273 0.947 -0.316 1.00 -0.12 C HETATM 1336 C16 E2P A 91 -1.512 1.323 -0.667 1.00 -0.11 C HETATM 1337 C17 E2P A 91 -2.597 1.753 0.294 1.00 -0.01 C HETATM 1338 C18 E2P A 91 -3.966 1.991 -0.405 1.00 -0.07 C HETATM 1339 C19 E2P A 91 -4.618 0.693 -0.958 1.00 -0.01 C HETATM 1340 C20 E2P A 91 -5.193 0.825 -2.346 1.00 0.35 C HETATM 1341 O21 E2P A 91 -6.051 -0.121 -2.711 1.00 -0.38 O HETATM 1342 O20 E2P A 91 -4.901 1.729 -3.110 1.00 -0.35 O HETATM 0 H192 E2P A 91 -3.871 -0.101 -0.962 1.00 -0.01 H new HETATM 0 H191 E2P A 91 -5.411 0.381 -0.278 1.00 -0.01 H new HETATM 0 H182 E2P A 91 -4.650 2.457 0.304 1.00 -0.07 H new HETATM 0 H181 E2P A 91 -3.828 2.696 -1.225 1.00 -0.07 H new HETATM 0 H172 E2P A 91 -2.716 0.991 1.064 1.00 -0.01 H new HETATM 0 H171 E2P A 91 -2.288 2.669 0.797 1.00 -0.01 H new HETATM 0 H142 E2P A 91 -0.040 -0.118 1.504 1.00 0.04 H new HETATM 0 H141 E2P A 91 -0.335 1.598 1.702 1.00 0.04 H new HETATM 0 H102 E2P A 91 4.633 0.018 1.791 1.00 -0.01 H new HETATM 0 H101 E2P A 91 4.648 1.212 0.509 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 2.579 -1.563 -2.927 1.00 -0.46 H new HETATM 0 H8 E2P A 91 1.506 -1.167 -0.173 1.00 -0.14 H new HETATM 0 H79 E2P A 91 3.955 1.624 3.399 1.00 -0.02 H new HETATM 0 H78 E2P A 91 4.337 2.843 2.199 1.00 -0.02 H new HETATM 0 H7 E2P A 91 4.542 -1.260 -0.381 1.00 0.02 H new HETATM 0 H6 E2P A 91 4.151 -2.970 -1.991 1.00 0.16 H new HETATM 0 H52 E2P A 91 3.972 -4.370 -0.262 1.00 -0.06 H new HETATM 0 H51 E2P A 91 2.743 -4.838 -1.421 1.00 -0.06 H new HETATM 0 H42 E2P A 91 1.803 -3.128 0.836 1.00 -0.07 H new HETATM 0 H41 E2P A 91 2.373 -4.725 1.277 1.00 -0.07 H new HETATM 0 H32 E2P A 91 -0.005 -4.855 1.015 1.00 -0.07 H new HETATM 0 H31 E2P A 91 0.721 -5.732 -0.317 1.00 -0.07 H new HETATM 0 H22 E2P A 91 -0.036 -2.863 -0.835 1.00 -0.07 H new HETATM 0 H21 E2P A 91 -1.346 -4.011 -0.646 1.00 -0.07 H new HETATM 0 H16 E2P A 91 -1.756 1.318 -1.729 1.00 -0.11 H new HETATM 0 H15 E2P A 91 0.425 0.683 -1.111 1.00 -0.12 H new HETATM 0 H13 E2P A 91 -0.707 -3.797 -3.045 1.00 -0.12 H new HETATM 0 H12 E2P A 91 0.961 -4.278 -2.654 1.00 -0.12 H new HETATM 0 H11 E2P A 91 -0.370 -5.444 -2.462 1.00 -0.12 H new