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 52 LYS NZ :NH3+ 151:sc= 0.582 (180deg=0.217) USER MOD Set 1.2: A 82 SER OG : rot 67:sc= 0.395 USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 46 SER OG : rot 82:sc= 0.169 USER MOD Set 3.1: A 41 GLN : amide:sc= -3.45! C(o=-3.8!,f=-4.4!) USER MOD Set 3.2: A 45 GLN : amide:sc= -0.35 K(o=-3.8,f=-4.6) USER MOD Set 4.1: A 16 TYR OH : rot 48:sc= 1.19 USER MOD Set 4.2: A 65 ASN : amide:sc= 0.74 K(o=1.9,f=-0.019!) USER MOD Set 5.1: A 5 HIS : no HD1:sc= 0 X(o=-0.039,f=-0.039) USER MOD Set 5.2: A 37 GLN : amide:sc= -0.0394 K(o=-0.039,f=-1.7) USER MOD Single : A 1 ILE N :NH3+ -120:sc= 0.119 (180deg=-0.0104) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0079 K(o=-0.0079,f=-0.89) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.29) USER MOD Single : A 35 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-5.7!) USER MOD Single : A 36 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.0048) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0069 USER MOD Single : A 49 ASN : amide:sc= 0.384 X(o=0.38,f=-0.04) USER MOD Single : A 59 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.0088) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0671 F(o=-0.67,f=-0.067) USER MOD Single : A 62 ASN : amide:sc= 0.231 K(o=0.23,f=-6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.316 K(o=-0.32,f=-4.1!) USER MOD Single : A 79 TYR OH : rot 165:sc= -0.0132 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 84 ASN : amide:sc= -0.7 K(o=-0.7,f=-2.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 E2P O6 : rot -93:sc= 0.0628 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 6.100 1.662 -8.312 1.00 -0.46 N ATOM 2 CA ILE A 1 7.151 1.402 -9.309 1.00 0.04 C ATOM 3 C ILE A 1 6.895 0.074 -9.992 1.00 0.62 C ATOM 4 O ILE A 1 6.216 -0.758 -9.409 1.00 -0.50 O ATOM 5 CB ILE A 1 8.625 1.443 -8.783 1.00 -0.01 C ATOM 6 CG1 ILE A 1 8.938 0.300 -7.767 1.00 -0.05 C ATOM 7 CG2 ILE A 1 8.974 2.852 -8.223 1.00 -0.09 C ATOM 8 CD1 ILE A 1 10.453 0.160 -7.454 1.00 -0.09 C ATOM 0 H1 ILE A 1 5.602 2.543 -8.554 1.00 -0.46 H new ATOM 0 H2 ILE A 1 5.423 0.872 -8.307 1.00 -0.46 H new ATOM 0 H3 ILE A 1 6.531 1.755 -7.370 1.00 -0.46 H new ATOM 0 HA ILE A 1 7.079 2.237 -10.006 1.00 0.04 H new ATOM 0 HB ILE A 1 9.278 1.257 -9.636 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 8.398 0.489 -6.839 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 8.567 -0.644 -8.166 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 10.003 2.856 -7.863 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 8.863 3.595 -9.013 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 8.301 3.093 -7.400 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 10.604 -0.651 -6.742 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 10.996 -0.059 -8.374 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 10.824 1.092 -7.027 1.00 -0.09 H new ATOM 22 N ASP A 2 7.425 -0.141 -11.220 1.00 -0.46 N ATOM 23 CA ASP A 2 7.243 -1.427 -11.893 1.00 0.04 C ATOM 24 C ASP A 2 5.815 -1.912 -11.741 1.00 0.62 C ATOM 25 O ASP A 2 5.614 -3.040 -11.318 1.00 -0.50 O ATOM 26 CB ASP A 2 8.302 -2.392 -11.301 1.00 -0.40 C ATOM 27 CG ASP A 2 9.673 -1.771 -11.277 1.00 0.71 C ATOM 28 OD1 ASP A 2 9.987 -0.976 -12.204 1.00 -0.72 O ATOM 29 OD2 ASP A 2 10.443 -2.072 -10.325 1.00 -0.72 O ATOM 0 H ASP A 2 7.966 0.546 -11.744 1.00 -0.46 H new ATOM 0 HA ASP A 2 7.397 -1.355 -12.970 1.00 0.04 H new ATOM 0 HB2 ASP A 2 8.012 -2.673 -10.288 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 8.328 -3.309 -11.890 1.00 -0.40 H new ATOM 34 N CYS A 3 4.844 -1.022 -12.072 1.00 -0.46 N ATOM 35 CA CYS A 3 3.409 -1.257 -11.851 1.00 0.04 C ATOM 36 C CYS A 3 3.088 -2.704 -11.529 1.00 0.62 C ATOM 37 O CYS A 3 2.666 -3.426 -12.418 1.00 -0.50 O ATOM 38 CB CYS A 3 2.645 -0.761 -13.114 1.00 -0.10 C ATOM 39 SG CYS A 3 0.838 -0.546 -12.932 1.00 0.82 S ATOM 0 H CYS A 3 5.045 -0.119 -12.502 1.00 -0.46 H new ATOM 0 HA CYS A 3 3.088 -0.699 -10.972 1.00 0.04 H new ATOM 0 HB2 CYS A 3 3.074 0.193 -13.422 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 2.826 -1.468 -13.924 1.00 -0.10 H new ATOM 44 N GLY A 4 3.280 -3.147 -10.266 1.00 -0.46 N ATOM 45 CA GLY A 4 3.073 -4.558 -9.938 1.00 0.04 C ATOM 46 C GLY A 4 3.992 -5.004 -8.824 1.00 0.62 C ATOM 47 O GLY A 4 3.544 -5.690 -7.920 1.00 -0.50 O ATOM 0 H GLY A 4 3.570 -2.560 -9.484 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 2.036 -4.716 -9.642 1.00 0.04 H new ATOM 0 HA3 GLY A 4 3.249 -5.169 -10.824 1.00 0.04 H new ATOM 51 N HIS A 5 5.290 -4.625 -8.857 1.00 -0.46 N ATOM 52 CA HIS A 5 6.170 -4.958 -7.733 1.00 0.04 C ATOM 53 C HIS A 5 5.522 -4.490 -6.447 1.00 0.62 C ATOM 54 O HIS A 5 5.435 -5.259 -5.502 1.00 -0.50 O ATOM 55 CB HIS A 5 7.561 -4.296 -7.902 1.00 -0.10 C ATOM 56 CG HIS A 5 8.465 -4.514 -6.718 1.00 0.06 C ATOM 57 ND1 HIS A 5 8.811 -5.661 -6.210 1.00 -0.06 N ATOM 58 CD2 HIS A 5 9.075 -3.576 -5.992 1.00 -0.04 C ATOM 59 CE1 HIS A 5 9.616 -5.514 -5.198 1.00 0.11 C ATOM 60 NE2 HIS A 5 9.757 -4.223 -5.091 1.00 -0.06 N ATOM 0 H HIS A 5 5.730 -4.110 -9.619 1.00 -0.46 H new ATOM 0 HA HIS A 5 6.317 -6.038 -7.703 1.00 0.04 H new ATOM 0 HB2 HIS A 5 8.040 -4.694 -8.796 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 7.431 -3.225 -8.060 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 9.016 -2.506 -6.124 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 10.064 -6.284 -4.588 1.00 0.11 H new ATOM 0 HE2 HIS A 5 10.335 -3.771 -4.383 1.00 -0.06 H new ATOM 69 N VAL A 6 5.036 -3.229 -6.410 1.00 -0.46 N ATOM 70 CA VAL A 6 4.255 -2.770 -5.257 1.00 0.04 C ATOM 71 C VAL A 6 3.201 -3.800 -4.916 1.00 0.62 C ATOM 72 O VAL A 6 3.167 -4.271 -3.790 1.00 -0.50 O ATOM 73 CB VAL A 6 3.601 -1.380 -5.553 1.00 -0.01 C ATOM 74 CG1 VAL A 6 2.319 -1.108 -4.718 1.00 -0.09 C ATOM 75 CG2 VAL A 6 4.636 -0.244 -5.327 1.00 -0.09 C ATOM 0 H VAL A 6 5.169 -2.535 -7.145 1.00 -0.46 H new ATOM 0 HA VAL A 6 4.919 -2.650 -4.401 1.00 0.04 H new ATOM 0 HB VAL A 6 3.290 -1.401 -6.598 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 1.919 -0.127 -4.975 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 1.573 -1.872 -4.937 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 2.564 -1.134 -3.656 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 4.170 0.719 -5.536 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 4.979 -0.265 -4.293 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 5.486 -0.388 -5.994 1.00 -0.09 H new ATOM 85 N ASP A 7 2.326 -4.162 -5.881 1.00 -0.46 N ATOM 86 CA ASP A 7 1.246 -5.092 -5.561 1.00 0.04 C ATOM 87 C ASP A 7 1.800 -6.356 -4.930 1.00 0.62 C ATOM 88 O ASP A 7 1.347 -6.763 -3.871 1.00 -0.50 O ATOM 89 CB ASP A 7 0.390 -5.434 -6.810 1.00 -0.40 C ATOM 90 CG ASP A 7 -0.703 -6.414 -6.483 1.00 0.71 C ATOM 91 OD1 ASP A 7 -1.068 -6.564 -5.285 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -1.226 -7.068 -7.426 1.00 -0.72 O ATOM 0 H ASP A 7 2.350 -3.835 -6.847 1.00 -0.46 H new ATOM 0 HA ASP A 7 0.592 -4.599 -4.842 1.00 0.04 H new ATOM 0 HB2 ASP A 7 -0.048 -4.521 -7.212 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 1.031 -5.849 -7.588 1.00 -0.40 H new ATOM 97 N SER A 8 2.807 -6.998 -5.559 1.00 -0.46 N ATOM 98 CA SER A 8 3.354 -8.229 -4.987 1.00 0.04 C ATOM 99 C SER A 8 3.614 -8.097 -3.501 1.00 0.62 C ATOM 100 O SER A 8 3.296 -9.009 -2.754 1.00 -0.50 O ATOM 101 CB SER A 8 4.689 -8.625 -5.669 1.00 0.02 C ATOM 102 OG SER A 8 5.173 -9.838 -5.066 1.00 -0.55 O ATOM 0 H SER A 8 3.240 -6.693 -6.431 1.00 -0.46 H new ATOM 0 HA SER A 8 2.601 -8.998 -5.159 1.00 0.04 H new ATOM 0 HB2 SER A 8 4.539 -8.769 -6.739 1.00 0.02 H new ATOM 0 HB3 SER A 8 5.423 -7.827 -5.555 1.00 0.02 H new ATOM 0 HG SER A 8 6.017 -10.100 -5.490 1.00 -0.55 H new ATOM 108 N LEU A 9 4.192 -6.961 -3.046 1.00 -0.46 N ATOM 109 CA LEU A 9 4.533 -6.830 -1.629 1.00 0.04 C ATOM 110 C LEU A 9 3.334 -6.523 -0.753 1.00 0.62 C ATOM 111 O LEU A 9 3.427 -6.778 0.439 1.00 -0.50 O ATOM 112 CB LEU A 9 5.642 -5.768 -1.393 1.00 -0.06 C ATOM 113 CG LEU A 9 6.911 -5.932 -2.286 1.00 -0.01 C ATOM 114 CD1 LEU A 9 8.020 -4.954 -1.807 1.00 -0.11 C ATOM 115 CD2 LEU A 9 7.457 -7.386 -2.293 1.00 -0.11 C ATOM 0 H LEU A 9 4.422 -6.153 -3.624 1.00 -0.46 H new ATOM 0 HA LEU A 9 4.914 -7.808 -1.336 1.00 0.04 H new ATOM 0 HB2 LEU A 9 5.219 -4.778 -1.566 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 5.945 -5.807 -0.347 1.00 -0.06 H new ATOM 0 HG LEU A 9 6.617 -5.696 -3.309 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 8.904 -5.072 -2.433 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 7.657 -3.929 -1.880 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 8.277 -5.175 -0.771 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 8.340 -7.440 -2.930 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 7.724 -7.679 -1.278 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 6.691 -8.060 -2.676 1.00 -0.11 H new ATOM 127 N VAL A 10 2.199 -5.988 -1.267 1.00 -0.46 N ATOM 128 CA VAL A 10 1.037 -5.799 -0.392 1.00 0.04 C ATOM 129 C VAL A 10 0.373 -7.129 -0.116 1.00 0.62 C ATOM 130 O VAL A 10 -0.118 -7.306 0.987 1.00 -0.50 O ATOM 131 CB VAL A 10 -0.045 -4.784 -0.870 1.00 -0.01 C ATOM 132 CG1 VAL A 10 0.609 -3.441 -1.282 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -0.966 -5.310 -2.007 1.00 -0.09 C ATOM 0 H VAL A 10 2.073 -5.695 -2.236 1.00 -0.46 H new ATOM 0 HA VAL A 10 1.463 -5.353 0.507 1.00 0.04 H new ATOM 0 HB VAL A 10 -0.697 -4.631 -0.010 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 -0.163 -2.746 -1.612 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 1.137 -3.017 -0.428 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 1.314 -3.614 -2.095 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 -1.688 -4.539 -2.277 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 -0.361 -5.561 -2.878 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -1.496 -6.199 -1.664 1.00 -0.09 H new ATOM 143 N ARG A 11 0.328 -8.073 -1.084 1.00 -0.46 N ATOM 144 CA ARG A 11 -0.388 -9.333 -0.859 1.00 0.04 C ATOM 145 C ARG A 11 -0.243 -9.901 0.545 1.00 0.62 C ATOM 146 O ARG A 11 -1.272 -10.095 1.176 1.00 -0.50 O ATOM 147 CB ARG A 11 -0.042 -10.410 -1.930 1.00 -0.08 C ATOM 148 CG ARG A 11 -0.671 -10.159 -3.335 1.00 -0.10 C ATOM 149 CD ARG A 11 -2.228 -10.177 -3.336 1.00 -0.23 C ATOM 150 NE ARG A 11 -2.749 -10.654 -4.626 1.00 -0.32 N ATOM 151 CZ ARG A 11 -2.863 -9.921 -5.710 1.00 0.76 C ATOM 152 NH1 ARG A 11 -2.507 -8.662 -5.774 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -3.358 -10.466 -6.796 1.00 -0.62 N ATOM 0 H ARG A 11 0.768 -7.984 -2.000 1.00 -0.46 H new ATOM 0 HA ARG A 11 -1.439 -9.065 -0.966 1.00 0.04 H new ATOM 0 HB2 ARG A 11 1.042 -10.462 -2.036 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -0.374 -11.383 -1.567 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 -0.327 -9.195 -3.710 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -0.307 -10.918 -4.027 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 -2.588 -10.821 -2.534 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 -2.607 -9.175 -3.135 1.00 -0.23 H new ATOM 0 HE ARG A 11 -3.044 -11.629 -4.683 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 -2.117 -8.200 -4.953 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 -2.620 -8.144 -6.645 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 -3.647 -11.444 -6.789 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 -3.454 -9.912 -7.647 1.00 -0.62 H new ATOM 167 N PRO A 12 0.954 -10.189 1.128 1.00 -0.23 N ATOM 168 CA PRO A 12 0.983 -10.712 2.489 1.00 0.04 C ATOM 169 C PRO A 12 0.359 -9.757 3.483 1.00 0.53 C ATOM 170 O PRO A 12 -0.174 -10.217 4.480 1.00 -0.50 O ATOM 171 CB PRO A 12 2.510 -10.872 2.705 1.00 -0.12 C ATOM 172 CG PRO A 12 3.133 -9.868 1.708 1.00 -0.12 C ATOM 173 CD PRO A 12 2.232 -9.998 0.458 1.00 -0.01 C ATOM 0 HA PRO A 12 0.411 -11.629 2.631 1.00 0.04 H new ATOM 0 HB2 PRO A 12 2.794 -10.644 3.732 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 2.838 -11.892 2.503 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 3.127 -8.852 2.104 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 4.170 -10.116 1.483 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 2.251 -9.108 -0.171 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 2.507 -10.841 -0.175 1.00 -0.01 H new ATOM 181 N CYS A 13 0.387 -8.426 3.249 1.00 -0.46 N ATOM 182 CA CYS A 13 -0.325 -7.521 4.147 1.00 0.04 C ATOM 183 C CYS A 13 -1.807 -7.812 4.037 1.00 0.62 C ATOM 184 O CYS A 13 -2.452 -8.001 5.055 1.00 -0.50 O ATOM 185 CB CYS A 13 -0.077 -6.026 3.812 1.00 -0.10 C ATOM 186 SG CYS A 13 1.699 -5.648 3.640 1.00 0.82 S ATOM 0 H CYS A 13 0.877 -7.978 2.475 1.00 -0.46 H new ATOM 0 HA CYS A 13 0.046 -7.690 5.158 1.00 0.04 H new ATOM 0 HB2 CYS A 13 -0.593 -5.772 2.886 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -0.506 -5.403 4.597 1.00 -0.10 H new ATOM 191 N LEU A 14 -2.357 -7.851 2.800 1.00 -0.46 N ATOM 192 CA LEU A 14 -3.799 -8.060 2.628 1.00 0.04 C ATOM 193 C LEU A 14 -4.253 -9.273 3.405 1.00 0.62 C ATOM 194 O LEU A 14 -5.322 -9.210 3.991 1.00 -0.50 O ATOM 195 CB LEU A 14 -4.221 -8.206 1.136 1.00 -0.06 C ATOM 196 CG LEU A 14 -4.519 -6.847 0.432 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -3.401 -5.793 0.643 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -4.751 -7.069 -1.089 1.00 -0.11 C ATOM 0 H LEU A 14 -1.833 -7.743 1.932 1.00 -0.46 H new ATOM 0 HA LEU A 14 -4.287 -7.165 3.015 1.00 0.04 H new ATOM 0 HB2 LEU A 14 -3.429 -8.720 0.592 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 -5.108 -8.837 1.079 1.00 -0.06 H new ATOM 0 HG LEU A 14 -5.423 -6.450 0.895 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 -3.669 -4.870 0.128 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -3.285 -5.594 1.708 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 -2.462 -6.173 0.241 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 -4.958 -6.112 -1.569 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 -3.859 -7.512 -1.532 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 -5.599 -7.739 -1.234 1.00 -0.11 H new ATOM 210 N SER A 15 -3.472 -10.375 3.444 1.00 -0.46 N ATOM 211 CA SER A 15 -3.887 -11.517 4.262 1.00 0.04 C ATOM 212 C SER A 15 -4.351 -11.050 5.628 1.00 0.62 C ATOM 213 O SER A 15 -5.410 -11.459 6.078 1.00 -0.50 O ATOM 214 CB SER A 15 -2.718 -12.525 4.423 1.00 0.02 C ATOM 215 OG SER A 15 -2.157 -12.860 3.142 1.00 -0.55 O ATOM 0 H SER A 15 -2.592 -10.490 2.941 1.00 -0.46 H new ATOM 0 HA SER A 15 -4.715 -12.014 3.756 1.00 0.04 H new ATOM 0 HB2 SER A 15 -1.947 -12.096 5.063 1.00 0.02 H new ATOM 0 HB3 SER A 15 -3.075 -13.429 4.917 1.00 0.02 H new ATOM 0 HG SER A 15 -1.420 -13.495 3.263 1.00 -0.55 H new ATOM 221 N TYR A 16 -3.568 -10.170 6.293 1.00 -0.46 N ATOM 222 CA TYR A 16 -3.990 -9.629 7.585 1.00 0.04 C ATOM 223 C TYR A 16 -5.023 -8.536 7.414 1.00 0.62 C ATOM 224 O TYR A 16 -6.037 -8.567 8.095 1.00 -0.50 O ATOM 225 CB TYR A 16 -2.771 -9.047 8.349 1.00 -0.10 C ATOM 226 CG TYR A 16 -3.153 -8.423 9.700 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -3.609 -7.102 9.767 1.00 0.00 C ATOM 228 CD2 TYR A 16 -3.030 -9.157 10.884 1.00 0.00 C ATOM 229 CE1 TYR A 16 -3.933 -6.515 10.994 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -3.333 -8.567 12.115 1.00 -0.26 C ATOM 231 CZ TYR A 16 -3.774 -7.244 12.179 1.00 0.46 C ATOM 232 OH TYR A 16 -4.044 -6.676 13.426 1.00 -0.53 O ATOM 0 H TYR A 16 -2.665 -9.832 5.959 1.00 -0.46 H new ATOM 0 HA TYR A 16 -4.431 -10.448 8.153 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -2.041 -9.839 8.514 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -2.288 -8.292 7.730 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -3.712 -6.528 8.858 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.699 -10.185 10.847 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.305 -5.502 11.028 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -3.225 -9.140 13.024 1.00 -0.26 H new ATOM 0 HH TYR A 16 -4.916 -6.230 13.400 1.00 -0.53 H new ATOM 242 N VAL A 17 -4.771 -7.539 6.533 1.00 -0.46 N ATOM 243 CA VAL A 17 -5.626 -6.350 6.511 1.00 0.04 C ATOM 244 C VAL A 17 -7.035 -6.699 6.095 1.00 0.62 C ATOM 245 O VAL A 17 -7.980 -6.202 6.688 1.00 -0.50 O ATOM 246 CB VAL A 17 -5.110 -5.172 5.626 1.00 -0.01 C ATOM 247 CG1 VAL A 17 -5.881 -3.880 6.010 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -3.573 -4.943 5.753 1.00 -0.09 C ATOM 0 H VAL A 17 -4.009 -7.539 5.855 1.00 -0.46 H new ATOM 0 HA VAL A 17 -5.603 -5.991 7.540 1.00 0.04 H new ATOM 0 HB VAL A 17 -5.295 -5.433 4.584 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 -5.528 -3.050 5.398 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 -6.947 -4.029 5.840 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 -5.709 -3.653 7.062 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 -3.275 -4.111 5.114 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -3.324 -4.713 6.789 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 -3.044 -5.845 5.445 1.00 -0.09 H new ATOM 258 N GLN A 18 -7.208 -7.560 5.070 1.00 -0.46 N ATOM 259 CA GLN A 18 -8.559 -7.979 4.707 1.00 0.04 C ATOM 260 C GLN A 18 -9.196 -8.660 5.898 1.00 0.62 C ATOM 261 O GLN A 18 -10.351 -8.387 6.185 1.00 -0.50 O ATOM 262 CB GLN A 18 -8.592 -8.870 3.436 1.00 -0.10 C ATOM 263 CG GLN A 18 -8.202 -8.047 2.176 1.00 -0.10 C ATOM 264 CD GLN A 18 -8.208 -8.856 0.902 1.00 0.68 C ATOM 265 OE1 GLN A 18 -8.334 -10.068 0.946 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -8.068 -8.202 -0.269 1.00 -0.87 N ATOM 0 H GLN A 18 -6.458 -7.959 4.506 1.00 -0.46 H new ATOM 0 HA GLN A 18 -9.139 -7.094 4.446 1.00 0.04 H new ATOM 0 HB2 GLN A 18 -7.905 -9.708 3.556 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 -9.589 -9.291 3.307 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 -8.894 -7.211 2.069 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 -7.209 -7.622 2.322 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 -7.964 -7.187 -0.277 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 -8.066 -8.722 -1.146 1.00 -0.87 H new ATOM 275 N GLY A 19 -8.449 -9.528 6.616 1.00 -0.46 N ATOM 276 CA GLY A 19 -8.980 -10.109 7.848 1.00 0.04 C ATOM 277 C GLY A 19 -8.271 -11.403 8.171 1.00 0.62 C ATOM 278 O GLY A 19 -8.758 -12.451 7.776 1.00 -0.50 O ATOM 0 H GLY A 19 -7.507 -9.829 6.366 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 -8.858 -9.405 8.671 1.00 0.04 H new ATOM 0 HA3 GLY A 19 -10.049 -10.290 7.740 1.00 0.04 H new ATOM 282 N GLY A 20 -7.112 -11.365 8.868 1.00 -0.46 N ATOM 283 CA GLY A 20 -6.394 -12.611 9.126 1.00 0.04 C ATOM 284 C GLY A 20 -5.238 -12.453 10.091 1.00 0.62 C ATOM 285 O GLY A 20 -5.043 -11.345 10.564 1.00 -0.50 O ATOM 0 H GLY A 20 -6.678 -10.521 9.242 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 -7.092 -13.347 9.525 1.00 0.04 H new ATOM 0 HA3 GLY A 20 -6.018 -13.006 8.182 1.00 0.04 H new ATOM 289 N PRO A 21 -4.467 -13.520 10.414 1.00 -0.23 N ATOM 290 CA PRO A 21 -3.363 -13.375 11.359 1.00 0.04 C ATOM 291 C PRO A 21 -2.120 -12.873 10.663 1.00 0.53 C ATOM 292 O PRO A 21 -2.174 -12.564 9.483 1.00 -0.50 O ATOM 293 CB PRO A 21 -3.218 -14.861 11.772 1.00 -0.12 C ATOM 294 CG PRO A 21 -3.507 -15.619 10.456 1.00 -0.12 C ATOM 295 CD PRO A 21 -4.713 -14.850 9.868 1.00 -0.01 C ATOM 0 HA PRO A 21 -3.519 -12.670 12.176 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -2.220 -15.078 12.152 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -3.924 -15.132 12.557 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -2.650 -15.600 9.783 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -3.747 -16.667 10.638 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 -4.718 -14.857 8.778 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 -5.668 -15.263 10.194 1.00 -0.01 H new ATOM 303 N GLY A 22 -0.979 -12.788 11.386 1.00 -0.46 N ATOM 304 CA GLY A 22 0.259 -12.330 10.759 1.00 0.04 C ATOM 305 C GLY A 22 0.265 -10.818 10.701 1.00 0.62 C ATOM 306 O GLY A 22 -0.004 -10.242 11.743 1.00 -0.50 O ATOM 0 H GLY A 22 -0.900 -13.025 12.375 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 1.120 -12.686 11.325 1.00 0.04 H new ATOM 0 HA3 GLY A 22 0.345 -12.744 9.754 1.00 0.04 H new ATOM 310 N PRO A 23 0.563 -10.111 9.581 1.00 -0.23 N ATOM 311 CA PRO A 23 0.849 -10.743 8.296 1.00 0.04 C ATOM 312 C PRO A 23 2.221 -11.372 8.280 1.00 0.53 C ATOM 313 O PRO A 23 2.919 -11.306 9.279 1.00 -0.50 O ATOM 314 CB PRO A 23 0.856 -9.491 7.385 1.00 -0.12 C ATOM 315 CG PRO A 23 1.360 -8.367 8.318 1.00 -0.12 C ATOM 316 CD PRO A 23 0.627 -8.659 9.645 1.00 -0.01 C ATOM 0 HA PRO A 23 0.156 -11.539 8.025 1.00 0.04 H new ATOM 0 HB2 PRO A 23 1.513 -9.624 6.526 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -0.138 -9.273 6.995 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 2.443 -8.399 8.440 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 1.112 -7.379 7.929 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 1.180 -8.304 10.514 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -0.360 -8.199 9.686 1.00 -0.01 H new ATOM 324 N SER A 24 2.631 -11.977 7.143 1.00 -0.46 N ATOM 325 CA SER A 24 3.981 -12.535 7.066 1.00 0.04 C ATOM 326 C SER A 24 5.018 -11.438 7.165 1.00 0.62 C ATOM 327 O SER A 24 4.713 -10.305 6.825 1.00 -0.50 O ATOM 328 CB SER A 24 4.199 -13.296 5.732 1.00 0.02 C ATOM 329 OG SER A 24 3.139 -14.255 5.581 1.00 -0.55 O ATOM 0 H SER A 24 2.065 -12.085 6.301 1.00 -0.46 H new ATOM 0 HA SER A 24 4.090 -13.228 7.900 1.00 0.04 H new ATOM 0 HB2 SER A 24 4.203 -12.599 4.894 1.00 0.02 H new ATOM 0 HB3 SER A 24 5.167 -13.797 5.735 1.00 0.02 H new ATOM 0 HG SER A 24 3.259 -14.746 4.741 1.00 -0.55 H new ATOM 335 N GLY A 25 6.260 -11.748 7.605 1.00 -0.46 N ATOM 336 CA GLY A 25 7.293 -10.713 7.666 1.00 0.04 C ATOM 337 C GLY A 25 7.447 -9.998 6.343 1.00 0.62 C ATOM 338 O GLY A 25 7.716 -8.806 6.343 1.00 -0.50 O ATOM 0 H GLY A 25 6.555 -12.675 7.911 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 7.039 -9.991 8.442 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.244 -11.164 7.949 1.00 0.04 H new ATOM 342 N GLN A 26 7.275 -10.707 5.202 1.00 -0.46 N ATOM 343 CA GLN A 26 7.378 -10.040 3.904 1.00 0.04 C ATOM 344 C GLN A 26 6.539 -8.781 3.884 1.00 0.62 C ATOM 345 O GLN A 26 6.977 -7.795 3.317 1.00 -0.50 O ATOM 346 CB GLN A 26 6.951 -10.968 2.733 1.00 -0.10 C ATOM 347 CG GLN A 26 7.172 -10.294 1.348 1.00 -0.10 C ATOM 348 CD GLN A 26 6.759 -11.205 0.217 1.00 0.68 C ATOM 349 OE1 GLN A 26 5.750 -10.954 -0.420 1.00 -0.47 O ATOM 350 NE2 GLN A 26 7.520 -12.283 -0.063 1.00 -0.87 N ATOM 0 H GLN A 26 7.072 -11.706 5.162 1.00 -0.46 H new ATOM 0 HA GLN A 26 8.428 -9.782 3.763 1.00 0.04 H new ATOM 0 HB2 GLN A 26 7.520 -11.897 2.780 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 5.899 -11.233 2.844 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 6.600 -9.368 1.298 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 8.223 -10.026 1.236 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 8.360 -12.471 0.485 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 7.256 -12.910 -0.823 1.00 -0.87 H new ATOM 359 N CYS A 27 5.335 -8.755 4.498 1.00 -0.46 N ATOM 360 CA CYS A 27 4.576 -7.504 4.527 1.00 0.04 C ATOM 361 C CYS A 27 5.372 -6.398 5.182 1.00 0.62 C ATOM 362 O CYS A 27 5.338 -5.293 4.666 1.00 -0.50 O ATOM 363 CB CYS A 27 3.247 -7.646 5.307 1.00 -0.10 C ATOM 364 SG CYS A 27 2.433 -6.024 5.493 1.00 0.82 S ATOM 0 H CYS A 27 4.892 -9.550 4.958 1.00 -0.46 H new ATOM 0 HA CYS A 27 4.365 -7.260 3.486 1.00 0.04 H new ATOM 0 HB2 CYS A 27 2.583 -8.334 4.783 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 3.440 -8.076 6.290 1.00 -0.10 H new ATOM 369 N CYS A 28 6.068 -6.639 6.315 1.00 -0.46 N ATOM 370 CA CYS A 28 6.840 -5.558 6.929 1.00 0.04 C ATOM 371 C CYS A 28 7.988 -5.174 6.020 1.00 0.62 C ATOM 372 O CYS A 28 8.253 -3.990 5.882 1.00 -0.50 O ATOM 373 CB CYS A 28 7.346 -5.918 8.348 1.00 -0.10 C ATOM 374 SG CYS A 28 8.211 -4.479 9.070 1.00 0.82 S ATOM 0 H CYS A 28 6.107 -7.536 6.800 1.00 -0.46 H new ATOM 0 HA CYS A 28 6.176 -4.703 7.053 1.00 0.04 H new ATOM 0 HB2 CYS A 28 6.508 -6.208 8.982 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 8.019 -6.774 8.299 1.00 -0.10 H new ATOM 379 N ASP A 29 8.678 -6.140 5.374 1.00 -0.46 N ATOM 380 CA ASP A 29 9.658 -5.754 4.357 1.00 0.04 C ATOM 381 C ASP A 29 8.952 -4.893 3.329 1.00 0.62 C ATOM 382 O ASP A 29 9.490 -3.885 2.899 1.00 -0.50 O ATOM 383 CB ASP A 29 10.302 -6.988 3.676 1.00 -0.40 C ATOM 384 CG ASP A 29 11.227 -6.523 2.586 1.00 0.71 C ATOM 385 OD1 ASP A 29 10.731 -6.337 1.442 1.00 -0.72 O ATOM 386 OD2 ASP A 29 12.438 -6.318 2.865 1.00 -0.72 O ATOM 0 H ASP A 29 8.578 -7.143 5.533 1.00 -0.46 H new ATOM 0 HA ASP A 29 10.468 -5.201 4.833 1.00 0.04 H new ATOM 0 HB2 ASP A 29 10.852 -7.578 4.409 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 9.529 -7.635 3.262 1.00 -0.40 H new ATOM 391 N GLY A 30 7.712 -5.264 2.943 1.00 -0.46 N ATOM 392 CA GLY A 30 6.919 -4.394 2.087 1.00 0.04 C ATOM 393 C GLY A 30 6.829 -3.030 2.716 1.00 0.62 C ATOM 394 O GLY A 30 7.247 -2.078 2.086 1.00 -0.50 O ATOM 0 H GLY A 30 7.259 -6.139 3.209 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 7.374 -4.323 1.099 1.00 0.04 H new ATOM 0 HA3 GLY A 30 5.921 -4.811 1.949 1.00 0.04 H new ATOM 398 N VAL A 31 6.310 -2.881 3.951 1.00 -0.46 N ATOM 399 CA VAL A 31 6.209 -1.543 4.544 1.00 0.04 C ATOM 400 C VAL A 31 7.510 -0.792 4.316 1.00 0.62 C ATOM 401 O VAL A 31 7.480 0.363 3.914 1.00 -0.50 O ATOM 402 CB VAL A 31 5.861 -1.600 6.060 1.00 -0.01 C ATOM 403 CG1 VAL A 31 6.024 -0.207 6.723 1.00 -0.09 C ATOM 404 CG2 VAL A 31 4.416 -2.130 6.306 1.00 -0.09 C ATOM 0 H VAL A 31 5.967 -3.643 4.535 1.00 -0.46 H new ATOM 0 HA VAL A 31 5.391 -1.013 4.055 1.00 0.04 H new ATOM 0 HB VAL A 31 6.563 -2.298 6.516 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 5.774 -0.277 7.782 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 7.055 0.129 6.615 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 5.357 0.507 6.239 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.215 -2.154 7.377 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 3.699 -1.471 5.816 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 4.323 -3.136 5.897 1.00 -0.09 H new ATOM 414 N LYS A 32 8.674 -1.441 4.554 1.00 -0.46 N ATOM 415 CA LYS A 32 9.946 -0.774 4.281 1.00 0.04 C ATOM 416 C LYS A 32 10.038 -0.388 2.818 1.00 0.62 C ATOM 417 O LYS A 32 10.214 0.785 2.527 1.00 -0.50 O ATOM 418 CB LYS A 32 11.169 -1.620 4.749 1.00 -0.10 C ATOM 419 CG LYS A 32 12.548 -0.985 4.388 1.00 -0.16 C ATOM 420 CD LYS A 32 13.105 -1.484 3.022 1.00 -0.18 C ATOM 421 CE LYS A 32 14.445 -0.814 2.604 1.00 -0.04 C ATOM 422 NZ LYS A 32 14.282 0.593 2.160 1.00 -0.14 N ATOM 0 H LYS A 32 8.749 -2.390 4.921 1.00 -0.46 H new ATOM 0 HA LYS A 32 9.977 0.143 4.870 1.00 0.04 H new ATOM 0 HB2 LYS A 32 11.113 -1.756 5.829 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.107 -2.611 4.300 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 12.446 0.100 4.359 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 13.266 -1.217 5.174 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 13.250 -2.563 3.073 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 12.361 -1.298 2.248 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 15.137 -0.845 3.446 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 14.897 -1.392 1.798 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 15.209 0.983 1.895 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 13.645 0.626 1.339 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 13.878 1.157 2.935 1.00 -0.14 H new ATOM 436 N ASN A 33 9.939 -1.345 1.868 1.00 -0.46 N ATOM 437 CA ASN A 33 10.119 -0.997 0.453 1.00 0.04 C ATOM 438 C ASN A 33 8.962 -0.163 -0.040 1.00 0.62 C ATOM 439 O ASN A 33 9.211 0.901 -0.580 1.00 -0.50 O ATOM 440 CB ASN A 33 10.321 -2.251 -0.435 1.00 -0.09 C ATOM 441 CG ASN A 33 11.635 -2.896 -0.067 1.00 0.68 C ATOM 442 OD1 ASN A 33 12.668 -2.398 -0.487 1.00 -0.47 O ATOM 443 ND2 ASN A 33 11.650 -3.982 0.724 1.00 -0.87 N ATOM 0 H ASN A 33 9.742 -2.329 2.051 1.00 -0.46 H new ATOM 0 HA ASN A 33 11.031 -0.404 0.376 1.00 0.04 H new ATOM 0 HB2 ASN A 33 9.501 -2.954 -0.289 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 10.318 -1.973 -1.489 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 12.538 -4.409 0.987 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 10.773 -4.379 1.062 1.00 -0.87 H new ATOM 450 N LEU A 34 7.708 -0.625 0.154 1.00 -0.46 N ATOM 451 CA LEU A 34 6.524 0.172 -0.167 1.00 0.04 C ATOM 452 C LEU A 34 6.794 1.632 0.162 1.00 0.62 C ATOM 453 O LEU A 34 7.068 2.383 -0.760 1.00 -0.50 O ATOM 454 CB LEU A 34 5.227 -0.366 0.523 1.00 -0.06 C ATOM 455 CG LEU A 34 4.734 -1.774 0.040 1.00 -0.01 C ATOM 456 CD1 LEU A 34 3.755 -2.405 1.068 1.00 -0.11 C ATOM 457 CD2 LEU A 34 4.015 -1.698 -1.332 1.00 -0.11 C ATOM 0 H LEU A 34 7.499 -1.549 0.532 1.00 -0.46 H new ATOM 0 HA LEU A 34 6.331 0.085 -1.236 1.00 0.04 H new ATOM 0 HB2 LEU A 34 5.402 -0.412 1.598 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 4.425 0.355 0.361 1.00 -0.06 H new ATOM 0 HG LEU A 34 5.626 -2.393 -0.057 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 3.429 -3.381 0.708 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 4.260 -2.522 2.027 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 2.888 -1.755 1.191 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 3.690 -2.695 -1.628 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 3.148 -1.043 -1.252 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 4.701 -1.302 -2.081 1.00 -0.11 H new ATOM 469 N HIS A 35 6.741 2.099 1.431 1.00 -0.46 N ATOM 470 CA HIS A 35 6.864 3.537 1.668 1.00 0.04 C ATOM 471 C HIS A 35 8.113 4.115 1.021 1.00 0.62 C ATOM 472 O HIS A 35 8.117 5.278 0.655 1.00 -0.50 O ATOM 473 CB HIS A 35 6.890 3.933 3.172 1.00 -0.10 C ATOM 474 CG HIS A 35 8.322 3.885 3.633 1.00 0.06 C ATOM 475 ND1 HIS A 35 8.984 2.808 3.925 1.00 -0.06 N ATOM 476 CD2 HIS A 35 9.160 4.911 3.779 1.00 -0.04 C ATOM 477 CE1 HIS A 35 10.215 3.081 4.244 1.00 0.11 C ATOM 478 NE2 HIS A 35 10.288 4.378 4.144 1.00 -0.06 N ATOM 0 H HIS A 35 6.619 1.524 2.265 1.00 -0.46 H new ATOM 0 HA HIS A 35 5.964 3.953 1.215 1.00 0.04 H new ATOM 0 HB2 HIS A 35 6.477 4.932 3.312 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 6.276 3.249 3.758 1.00 -0.10 H new ATOM 0 HD1 HIS A 35 8.590 1.868 3.907 1.00 -0.06 H new ATOM 0 HD2 HIS A 35 8.948 5.959 3.627 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 10.997 2.391 4.527 1.00 0.11 H new ATOM 487 N ASN A 36 9.224 3.351 0.904 1.00 -0.46 N ATOM 488 CA ASN A 36 10.420 3.913 0.278 1.00 0.04 C ATOM 489 C ASN A 36 10.117 4.204 -1.176 1.00 0.62 C ATOM 490 O ASN A 36 10.411 5.293 -1.642 1.00 -0.50 O ATOM 491 CB ASN A 36 11.638 2.961 0.417 1.00 -0.09 C ATOM 492 CG ASN A 36 12.905 3.609 -0.082 1.00 0.68 C ATOM 493 OD1 ASN A 36 13.713 4.023 0.734 1.00 -0.47 O ATOM 494 ND2 ASN A 36 13.119 3.714 -1.409 1.00 -0.87 N ATOM 0 H ASN A 36 9.308 2.386 1.223 1.00 -0.46 H new ATOM 0 HA ASN A 36 10.688 4.839 0.787 1.00 0.04 H new ATOM 0 HB2 ASN A 36 11.761 2.676 1.462 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 11.451 2.045 -0.144 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 13.975 4.149 -1.755 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.425 3.359 -2.067 1.00 -0.87 H new ATOM 501 N GLN A 37 9.514 3.240 -1.909 1.00 -0.46 N ATOM 502 CA GLN A 37 9.177 3.438 -3.321 1.00 0.04 C ATOM 503 C GLN A 37 7.837 4.145 -3.409 1.00 0.62 C ATOM 504 O GLN A 37 6.889 3.622 -3.970 1.00 -0.50 O ATOM 505 CB GLN A 37 9.314 2.084 -4.083 1.00 -0.10 C ATOM 506 CG GLN A 37 8.193 1.031 -3.825 1.00 -0.10 C ATOM 507 CD GLN A 37 8.638 -0.408 -3.959 1.00 0.68 C ATOM 508 OE1 GLN A 37 9.761 -0.679 -4.351 1.00 -0.47 O ATOM 509 NE2 GLN A 37 7.773 -1.388 -3.630 1.00 -0.87 N ATOM 0 H GLN A 37 9.255 2.325 -1.540 1.00 -0.46 H new ATOM 0 HA GLN A 37 9.873 4.100 -3.835 1.00 0.04 H new ATOM 0 HB2 GLN A 37 9.347 2.294 -5.152 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 10.272 1.637 -3.817 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 7.794 1.182 -2.822 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 7.376 1.211 -4.523 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 6.836 -1.153 -3.303 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 8.056 -2.365 -3.708 1.00 -0.87 H new ATOM 518 N ALA A 38 7.767 5.372 -2.834 1.00 -0.46 N ATOM 519 CA ALA A 38 6.514 6.121 -2.733 1.00 0.04 C ATOM 520 C ALA A 38 6.757 7.606 -2.809 1.00 0.62 C ATOM 521 O ALA A 38 6.195 8.339 -2.009 1.00 -0.50 O ATOM 522 CB ALA A 38 5.907 5.819 -1.341 1.00 -0.10 C ATOM 0 H ALA A 38 8.573 5.855 -2.436 1.00 -0.46 H new ATOM 0 HA ALA A 38 5.857 5.828 -3.552 1.00 0.04 H new ATOM 0 HB1 ALA A 38 4.968 6.362 -1.228 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 5.721 4.749 -1.250 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 6.604 6.134 -0.564 1.00 -0.10 H new ATOM 528 N ARG A 39 7.614 8.072 -3.742 1.00 -0.46 N ATOM 529 CA ARG A 39 8.044 9.468 -3.704 1.00 0.04 C ATOM 530 C ARG A 39 8.137 10.094 -5.081 1.00 0.62 C ATOM 531 O ARG A 39 7.503 11.115 -5.302 1.00 -0.50 O ATOM 532 CB ARG A 39 9.396 9.553 -2.938 1.00 -0.08 C ATOM 533 CG ARG A 39 9.347 9.014 -1.476 1.00 -0.10 C ATOM 534 CD ARG A 39 8.587 9.910 -0.456 1.00 -0.23 C ATOM 535 NE ARG A 39 9.430 11.058 -0.085 1.00 -0.32 N ATOM 536 CZ ARG A 39 9.360 12.269 -0.595 1.00 0.76 C ATOM 537 NH1 ARG A 39 8.514 12.631 -1.531 1.00 -0.62 N ATOM 538 NH2 ARG A 39 10.188 13.185 -0.151 1.00 -0.62 N ATOM 0 H ARG A 39 8.006 7.517 -4.503 1.00 -0.46 H new ATOM 0 HA ARG A 39 7.287 10.049 -3.177 1.00 0.04 H new ATOM 0 HB2 ARG A 39 10.149 8.993 -3.493 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 9.722 10.593 -2.918 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 8.880 8.029 -1.486 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 10.369 8.879 -1.123 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 7.650 10.259 -0.890 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 8.331 9.332 0.432 1.00 -0.23 H new ATOM 0 HE ARG A 39 10.135 10.900 0.635 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 7.853 11.953 -1.911 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 8.518 13.590 -1.879 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 10.866 12.951 0.574 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 10.153 14.131 -0.531 1.00 -0.62 H new ATOM 552 N SER A 40 8.923 9.543 -6.033 1.00 -0.46 N ATOM 553 CA SER A 40 9.060 10.205 -7.333 1.00 0.04 C ATOM 554 C SER A 40 7.770 10.182 -8.126 1.00 0.62 C ATOM 555 O SER A 40 6.976 9.273 -7.942 1.00 -0.50 O ATOM 556 CB SER A 40 10.165 9.557 -8.209 1.00 0.02 C ATOM 557 OG SER A 40 10.273 10.217 -9.484 1.00 -0.55 O ATOM 0 H SER A 40 9.450 8.676 -5.927 1.00 -0.46 H new ATOM 0 HA SER A 40 9.331 11.234 -7.099 1.00 0.04 H new ATOM 0 HB2 SER A 40 11.121 9.607 -7.688 1.00 0.02 H new ATOM 0 HB3 SER A 40 9.940 8.501 -8.361 1.00 0.02 H new ATOM 0 HG SER A 40 10.977 9.790 -10.015 1.00 -0.55 H new ATOM 563 N GLN A 41 7.545 11.166 -9.029 1.00 -0.46 N ATOM 564 CA GLN A 41 6.344 11.148 -9.872 1.00 0.04 C ATOM 565 C GLN A 41 6.133 9.782 -10.489 1.00 0.62 C ATOM 566 O GLN A 41 5.004 9.317 -10.537 1.00 -0.50 O ATOM 567 CB GLN A 41 6.370 12.267 -10.956 1.00 -0.10 C ATOM 568 CG GLN A 41 7.483 12.097 -12.031 1.00 -0.10 C ATOM 569 CD GLN A 41 7.229 11.005 -13.045 1.00 0.68 C ATOM 570 OE1 GLN A 41 6.104 10.557 -13.194 1.00 -0.47 O ATOM 571 NE2 GLN A 41 8.265 10.552 -13.779 1.00 -0.87 N ATOM 0 H GLN A 41 8.167 11.960 -9.185 1.00 -0.46 H new ATOM 0 HA GLN A 41 5.493 11.359 -9.225 1.00 0.04 H new ATOM 0 HB2 GLN A 41 5.401 12.295 -11.455 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 6.502 13.230 -10.463 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 7.604 13.042 -12.560 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 8.427 11.891 -11.526 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 9.198 10.940 -13.639 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 8.116 9.821 -14.475 1.00 -0.87 H new ATOM 580 N SER A 42 7.211 9.109 -10.955 1.00 -0.46 N ATOM 581 CA SER A 42 7.028 7.785 -11.548 1.00 0.04 C ATOM 582 C SER A 42 6.410 6.869 -10.519 1.00 0.62 C ATOM 583 O SER A 42 5.439 6.199 -10.828 1.00 -0.50 O ATOM 584 CB SER A 42 8.359 7.165 -12.050 1.00 0.02 C ATOM 585 OG SER A 42 8.121 5.935 -12.758 1.00 -0.55 O ATOM 0 H SER A 42 8.172 9.450 -10.931 1.00 -0.46 H new ATOM 0 HA SER A 42 6.377 7.899 -12.415 1.00 0.04 H new ATOM 0 HB2 SER A 42 8.870 7.872 -12.704 1.00 0.02 H new ATOM 0 HB3 SER A 42 9.020 6.979 -11.203 1.00 0.02 H new ATOM 0 HG SER A 42 8.974 5.564 -13.066 1.00 -0.55 H new ATOM 591 N ASP A 43 6.953 6.836 -9.281 1.00 -0.46 N ATOM 592 CA ASP A 43 6.388 5.961 -8.257 1.00 0.04 C ATOM 593 C ASP A 43 4.899 6.211 -8.156 1.00 0.62 C ATOM 594 O ASP A 43 4.119 5.271 -8.135 1.00 -0.50 O ATOM 595 CB ASP A 43 7.010 6.198 -6.850 1.00 -0.40 C ATOM 596 CG ASP A 43 8.509 6.316 -6.835 1.00 0.71 C ATOM 597 OD1 ASP A 43 9.162 5.997 -7.863 1.00 -0.72 O ATOM 598 OD2 ASP A 43 9.042 6.765 -5.781 1.00 -0.72 O ATOM 0 H ASP A 43 7.756 7.390 -8.983 1.00 -0.46 H new ATOM 0 HA ASP A 43 6.609 4.937 -8.558 1.00 0.04 H new ATOM 0 HB2 ASP A 43 6.584 7.108 -6.428 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 6.718 5.377 -6.196 1.00 -0.40 H new ATOM 603 N ARG A 44 4.488 7.499 -8.095 1.00 -0.46 N ATOM 604 CA ARG A 44 3.068 7.795 -7.943 1.00 0.04 C ATOM 605 C ARG A 44 2.304 7.286 -9.145 1.00 0.62 C ATOM 606 O ARG A 44 1.324 6.584 -8.954 1.00 -0.50 O ATOM 607 CB ARG A 44 2.756 9.308 -7.766 1.00 -0.08 C ATOM 608 CG ARG A 44 3.080 9.864 -6.350 1.00 -0.10 C ATOM 609 CD ARG A 44 4.582 10.139 -6.076 1.00 -0.23 C ATOM 610 NE ARG A 44 4.714 11.061 -4.938 1.00 -0.32 N ATOM 611 CZ ARG A 44 4.674 10.700 -3.678 1.00 0.76 C ATOM 612 NH1 ARG A 44 4.481 9.463 -3.292 1.00 -0.62 N ATOM 613 NH2 ARG A 44 4.839 11.609 -2.746 1.00 -0.62 N ATOM 0 H ARG A 44 5.101 8.312 -8.147 1.00 -0.46 H new ATOM 0 HA ARG A 44 2.756 7.290 -7.029 1.00 0.04 H new ATOM 0 HB2 ARG A 44 3.324 9.874 -8.505 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 1.700 9.477 -7.978 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 2.525 10.791 -6.205 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 2.715 9.155 -5.607 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 5.100 9.204 -5.862 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 5.051 10.568 -6.961 1.00 -0.23 H new ATOM 0 HE ARG A 44 4.846 12.051 -5.143 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 4.353 8.726 -3.986 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 4.459 9.237 -2.298 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 4.996 12.583 -3.006 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 4.810 11.342 -1.762 1.00 -0.62 H new ATOM 627 N GLN A 45 2.704 7.623 -10.389 1.00 -0.46 N ATOM 628 CA GLN A 45 1.946 7.137 -11.544 1.00 0.04 C ATOM 629 C GLN A 45 1.997 5.622 -11.580 1.00 0.62 C ATOM 630 O GLN A 45 0.956 4.982 -11.549 1.00 -0.50 O ATOM 631 CB GLN A 45 2.458 7.724 -12.891 1.00 -0.10 C ATOM 632 CG GLN A 45 1.976 9.176 -13.167 1.00 -0.10 C ATOM 633 CD GLN A 45 2.457 10.200 -12.166 1.00 0.68 C ATOM 634 OE1 GLN A 45 3.431 10.883 -12.432 1.00 -0.47 O ATOM 635 NE2 GLN A 45 1.792 10.358 -11.004 1.00 -0.87 N ATOM 0 H GLN A 45 3.513 8.205 -10.608 1.00 -0.46 H new ATOM 0 HA GLN A 45 0.917 7.476 -11.426 1.00 0.04 H new ATOM 0 HB2 GLN A 45 3.548 7.706 -12.893 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 2.127 7.080 -13.706 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 2.311 9.473 -14.161 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 0.886 9.186 -13.182 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 0.979 9.777 -10.799 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 2.102 11.058 -10.330 1.00 -0.87 H new ATOM 644 N SER A 46 3.205 5.026 -11.655 1.00 -0.46 N ATOM 645 CA SER A 46 3.319 3.570 -11.726 1.00 0.04 C ATOM 646 C SER A 46 2.452 2.887 -10.693 1.00 0.62 C ATOM 647 O SER A 46 1.686 1.998 -11.040 1.00 -0.50 O ATOM 648 CB SER A 46 4.795 3.153 -11.490 1.00 0.02 C ATOM 649 OG SER A 46 5.664 3.702 -12.495 1.00 -0.55 O ATOM 0 H SER A 46 4.094 5.526 -11.667 1.00 -0.46 H new ATOM 0 HA SER A 46 2.983 3.262 -12.716 1.00 0.04 H new ATOM 0 HB2 SER A 46 5.117 3.491 -10.505 1.00 0.02 H new ATOM 0 HB3 SER A 46 4.872 2.066 -11.495 1.00 0.02 H new ATOM 0 HG SER A 46 5.882 4.630 -12.268 1.00 -0.55 H new ATOM 655 N ALA A 47 2.562 3.296 -9.409 1.00 -0.46 N ATOM 656 CA ALA A 47 1.742 2.657 -8.388 1.00 0.04 C ATOM 657 C ALA A 47 0.290 2.994 -8.628 1.00 0.62 C ATOM 658 O ALA A 47 -0.504 2.075 -8.727 1.00 -0.50 O ATOM 659 CB ALA A 47 2.128 3.082 -6.953 1.00 -0.10 C ATOM 0 H ALA A 47 3.184 4.033 -9.077 1.00 -0.46 H new ATOM 0 HA ALA A 47 1.913 1.583 -8.467 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.483 2.573 -6.237 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 3.167 2.813 -6.761 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 2.007 4.160 -6.848 1.00 -0.10 H new ATOM 665 N CYS A 48 -0.089 4.290 -8.730 1.00 -0.46 N ATOM 666 CA CYS A 48 -1.500 4.636 -8.906 1.00 0.04 C ATOM 667 C CYS A 48 -2.176 3.722 -9.904 1.00 0.62 C ATOM 668 O CYS A 48 -3.272 3.260 -9.628 1.00 -0.50 O ATOM 669 CB CYS A 48 -1.713 6.092 -9.403 1.00 -0.10 C ATOM 670 SG CYS A 48 -1.286 7.366 -8.166 1.00 0.82 S ATOM 0 H CYS A 48 0.549 5.085 -8.694 1.00 -0.46 H new ATOM 0 HA CYS A 48 -1.939 4.524 -7.914 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -1.111 6.252 -10.298 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -2.756 6.217 -9.694 1.00 -0.10 H new ATOM 675 N ASN A 49 -1.551 3.447 -11.067 1.00 -0.46 N ATOM 676 CA ASN A 49 -2.216 2.597 -12.053 1.00 0.04 C ATOM 677 C ASN A 49 -2.461 1.203 -11.507 1.00 0.62 C ATOM 678 O ASN A 49 -3.593 0.746 -11.537 1.00 -0.50 O ATOM 679 CB ASN A 49 -1.420 2.519 -13.382 1.00 -0.09 C ATOM 680 CG ASN A 49 -1.413 3.867 -14.065 1.00 0.68 C ATOM 681 OD1 ASN A 49 -2.387 4.192 -14.724 1.00 -0.47 O ATOM 682 ND2 ASN A 49 -0.352 4.688 -13.933 1.00 -0.87 N ATOM 0 H ASN A 49 -0.627 3.788 -11.332 1.00 -0.46 H new ATOM 0 HA ASN A 49 -3.180 3.060 -12.265 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -0.397 2.198 -13.184 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -1.867 1.773 -14.039 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -0.353 5.601 -14.389 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 0.452 4.397 -13.377 1.00 -0.87 H new ATOM 689 N CYS A 50 -1.424 0.494 -11.004 1.00 -0.46 N ATOM 690 CA CYS A 50 -1.656 -0.868 -10.513 1.00 0.04 C ATOM 691 C CYS A 50 -2.449 -0.803 -9.225 1.00 0.62 C ATOM 692 O CYS A 50 -3.448 -1.497 -9.112 1.00 -0.50 O ATOM 693 CB CYS A 50 -0.347 -1.694 -10.375 1.00 -0.10 C ATOM 694 SG CYS A 50 0.161 -2.242 -12.042 1.00 0.82 S ATOM 0 H CYS A 50 -0.463 0.829 -10.932 1.00 -0.46 H new ATOM 0 HA CYS A 50 -2.242 -1.409 -11.256 1.00 0.04 H new ATOM 0 HB2 CYS A 50 0.437 -1.090 -9.918 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -0.507 -2.554 -9.725 1.00 -0.10 H new ATOM 699 N LEU A 51 -2.043 0.041 -8.251 1.00 -0.46 N ATOM 700 CA LEU A 51 -2.860 0.225 -7.053 1.00 0.04 C ATOM 701 C LEU A 51 -4.314 0.371 -7.430 1.00 0.62 C ATOM 702 O LEU A 51 -5.121 -0.364 -6.888 1.00 -0.50 O ATOM 703 CB LEU A 51 -2.443 1.458 -6.199 1.00 -0.06 C ATOM 704 CG LEU A 51 -3.468 1.764 -5.056 1.00 -0.01 C ATOM 705 CD1 LEU A 51 -2.783 2.228 -3.755 1.00 -0.11 C ATOM 706 CD2 LEU A 51 -4.479 2.880 -5.437 1.00 -0.11 C ATOM 0 H LEU A 51 -1.181 0.586 -8.276 1.00 -0.46 H new ATOM 0 HA LEU A 51 -2.700 -0.666 -6.445 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -1.460 1.280 -5.764 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.352 2.331 -6.846 1.00 -0.06 H new ATOM 0 HG LEU A 51 -3.984 0.816 -4.905 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 -3.540 2.426 -2.996 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -2.109 1.448 -3.400 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -2.215 3.138 -3.948 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 -5.164 3.049 -4.607 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -3.939 3.801 -5.655 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -5.044 2.574 -6.317 1.00 -0.11 H new ATOM 718 N LYS A 52 -4.700 1.294 -8.338 1.00 -0.46 N ATOM 719 CA LYS A 52 -6.130 1.459 -8.616 1.00 0.04 C ATOM 720 C LYS A 52 -6.711 0.131 -9.035 1.00 0.62 C ATOM 721 O LYS A 52 -7.793 -0.197 -8.575 1.00 -0.50 O ATOM 722 CB LYS A 52 -6.443 2.608 -9.614 1.00 -0.10 C ATOM 723 CG LYS A 52 -6.200 4.030 -9.013 1.00 -0.16 C ATOM 724 CD LYS A 52 -7.451 4.714 -8.372 1.00 -0.18 C ATOM 725 CE LYS A 52 -8.094 3.950 -7.180 1.00 -0.04 C ATOM 726 NZ LYS A 52 -9.168 4.736 -6.524 1.00 -0.14 N ATOM 0 H LYS A 52 -4.073 1.904 -8.863 1.00 -0.46 H new ATOM 0 HA LYS A 52 -6.620 1.778 -7.696 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -5.825 2.486 -10.503 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -7.482 2.529 -9.935 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -5.420 3.956 -8.255 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -5.818 4.678 -9.802 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -7.165 5.709 -8.031 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -8.207 4.847 -9.146 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -8.504 3.004 -7.535 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -7.324 3.709 -6.448 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -9.869 4.088 -6.110 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -8.757 5.327 -5.773 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -9.632 5.345 -7.228 1.00 -0.14 H new ATOM 740 N GLY A 53 -6.012 -0.674 -9.861 1.00 -0.46 N ATOM 741 CA GLY A 53 -6.518 -2.018 -10.135 1.00 0.04 C ATOM 742 C GLY A 53 -6.855 -2.756 -8.855 1.00 0.62 C ATOM 743 O GLY A 53 -7.936 -3.317 -8.759 1.00 -0.50 O ATOM 0 H GLY A 53 -5.139 -0.427 -10.326 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 -7.406 -1.952 -10.763 1.00 0.04 H new ATOM 0 HA3 GLY A 53 -5.772 -2.581 -10.696 1.00 0.04 H new ATOM 747 N ILE A 54 -5.942 -2.773 -7.856 1.00 -0.46 N ATOM 748 CA ILE A 54 -6.201 -3.523 -6.622 1.00 0.04 C ATOM 749 C ILE A 54 -7.129 -2.720 -5.733 1.00 0.62 C ATOM 750 O ILE A 54 -8.208 -3.199 -5.423 1.00 -0.50 O ATOM 751 CB ILE A 54 -4.896 -3.943 -5.874 1.00 -0.01 C ATOM 752 CG1 ILE A 54 -4.140 -5.095 -6.606 1.00 -0.05 C ATOM 753 CG2 ILE A 54 -5.214 -4.395 -4.416 1.00 -0.09 C ATOM 754 CD1 ILE A 54 -3.649 -4.739 -8.034 1.00 -0.09 C ATOM 0 H ILE A 54 -5.045 -2.288 -7.884 1.00 -0.46 H new ATOM 0 HA ILE A 54 -6.686 -4.460 -6.894 1.00 0.04 H new ATOM 0 HB ILE A 54 -4.253 -3.063 -5.859 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 -3.281 -5.389 -6.003 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 -4.798 -5.962 -6.668 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 -4.290 -4.683 -3.915 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 -5.680 -3.572 -3.874 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 -5.895 -5.246 -4.439 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 -3.135 -5.597 -8.467 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 -4.503 -4.476 -8.657 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 -2.963 -3.893 -7.983 1.00 -0.09 H new ATOM 766 N ALA A 55 -6.737 -1.501 -5.297 1.00 -0.46 N ATOM 767 CA ALA A 55 -7.596 -0.714 -4.413 1.00 0.04 C ATOM 768 C ALA A 55 -9.021 -0.677 -4.920 1.00 0.62 C ATOM 769 O ALA A 55 -9.927 -0.958 -4.153 1.00 -0.50 O ATOM 770 CB ALA A 55 -7.094 0.737 -4.211 1.00 -0.10 C ATOM 0 H ALA A 55 -5.851 -1.058 -5.541 1.00 -0.46 H new ATOM 0 HA ALA A 55 -7.560 -1.219 -3.448 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -7.775 1.268 -3.545 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -6.097 0.719 -3.771 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -7.057 1.247 -5.174 1.00 -0.10 H new ATOM 776 N ARG A 56 -9.255 -0.351 -6.211 1.00 -0.46 N ATOM 777 CA ARG A 56 -10.627 -0.396 -6.721 1.00 0.04 C ATOM 778 C ARG A 56 -11.134 -1.822 -6.648 1.00 0.62 C ATOM 779 O ARG A 56 -12.250 -2.041 -6.204 1.00 -0.50 O ATOM 780 CB ARG A 56 -10.735 0.116 -8.184 1.00 -0.08 C ATOM 781 CG ARG A 56 -12.210 0.214 -8.657 1.00 -0.10 C ATOM 782 CD ARG A 56 -12.296 0.721 -10.122 1.00 -0.23 C ATOM 783 NE ARG A 56 -13.700 0.757 -10.550 1.00 -0.32 N ATOM 784 CZ ARG A 56 -14.386 -0.293 -10.953 1.00 0.76 C ATOM 785 NH1 ARG A 56 -13.891 -1.506 -11.009 1.00 -0.62 N ATOM 786 NH2 ARG A 56 -15.635 -0.127 -11.318 1.00 -0.62 N ATOM 0 H ARG A 56 -8.543 -0.068 -6.885 1.00 -0.46 H new ATOM 0 HA ARG A 56 -11.233 0.265 -6.101 1.00 0.04 H new ATOM 0 HB2 ARG A 56 -10.263 1.096 -8.261 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 -10.186 -0.555 -8.845 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 -12.686 -0.764 -8.579 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 -12.761 0.890 -8.002 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 -11.856 1.715 -10.200 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 -11.722 0.067 -10.778 1.00 -0.23 H new ATOM 0 HE ARG A 56 -14.178 1.658 -10.534 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 -12.924 -1.676 -10.731 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 -14.473 -2.280 -11.330 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 -16.056 0.801 -11.286 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 -16.185 -0.926 -11.633 1.00 -0.62 H new ATOM 800 N GLY A 57 -10.319 -2.812 -7.077 1.00 -0.46 N ATOM 801 CA GLY A 57 -10.753 -4.208 -7.007 1.00 0.04 C ATOM 802 C GLY A 57 -11.085 -4.699 -5.613 1.00 0.62 C ATOM 803 O GLY A 57 -11.725 -5.734 -5.516 1.00 -0.50 O ATOM 0 H GLY A 57 -9.386 -2.669 -7.463 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 -11.631 -4.333 -7.640 1.00 0.04 H new ATOM 0 HA3 GLY A 57 -9.968 -4.840 -7.422 1.00 0.04 H new ATOM 807 N ILE A 58 -10.668 -4.015 -4.522 1.00 -0.46 N ATOM 808 CA ILE A 58 -10.998 -4.494 -3.175 1.00 0.04 C ATOM 809 C ILE A 58 -12.467 -4.857 -3.078 1.00 0.62 C ATOM 810 O ILE A 58 -13.289 -4.015 -3.401 1.00 -0.50 O ATOM 811 CB ILE A 58 -10.682 -3.430 -2.071 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -9.145 -3.320 -1.819 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -11.431 -3.739 -0.742 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -8.732 -2.027 -1.061 1.00 -0.09 C ATOM 0 H ILE A 58 -10.119 -3.156 -4.552 1.00 -0.46 H new ATOM 0 HA ILE A 58 -10.377 -5.373 -3.004 1.00 0.04 H new ATOM 0 HB ILE A 58 -11.040 -2.469 -2.440 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -8.816 -4.188 -1.247 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -8.625 -3.352 -2.776 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -11.186 -2.978 -0.001 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -12.506 -3.738 -0.921 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -11.126 -4.718 -0.372 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -7.651 -2.017 -0.921 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -9.031 -1.154 -1.641 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -9.224 -2.002 -0.089 1.00 -0.09 H new ATOM 826 N HIS A 59 -12.828 -6.075 -2.602 1.00 -0.46 N ATOM 827 CA HIS A 59 -14.225 -6.339 -2.247 1.00 0.04 C ATOM 828 C HIS A 59 -14.472 -5.686 -0.901 1.00 0.62 C ATOM 829 O HIS A 59 -15.400 -4.903 -0.773 1.00 -0.50 O ATOM 830 CB HIS A 59 -14.522 -7.863 -2.200 1.00 -0.10 C ATOM 831 CG HIS A 59 -15.941 -8.206 -1.823 1.00 0.06 C ATOM 832 ND1 HIS A 59 -16.334 -9.399 -1.475 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -17.026 -7.423 -1.770 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -17.605 -9.430 -1.196 1.00 0.11 C ATOM 835 NE2 HIS A 59 -17.998 -8.203 -1.388 1.00 -0.06 N ATOM 0 H HIS A 59 -12.189 -6.858 -2.462 1.00 -0.46 H new ATOM 0 HA HIS A 59 -14.894 -5.926 -3.002 1.00 0.04 H new ATOM 0 HB2 HIS A 59 -14.303 -8.294 -3.177 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 -13.845 -8.332 -1.486 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 -17.084 -6.368 -1.996 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 -18.196 -10.276 -0.879 1.00 0.11 H new ATOM 0 HE2 HIS A 59 -18.959 -7.888 -1.254 1.00 -0.06 H new ATOM 844 N ASN A 60 -13.629 -5.986 0.116 1.00 -0.46 N ATOM 845 CA ASN A 60 -13.735 -5.315 1.414 1.00 0.04 C ATOM 846 C ASN A 60 -12.382 -5.329 2.095 1.00 0.62 C ATOM 847 O ASN A 60 -11.655 -6.282 1.863 1.00 -0.50 O ATOM 848 CB ASN A 60 -14.788 -6.043 2.288 1.00 -0.09 C ATOM 849 CG ASN A 60 -14.888 -5.402 3.652 1.00 0.68 C ATOM 850 OD1 ASN A 60 -13.991 -5.732 4.604 1.00 -0.47 O flip ATOM 851 ND2 ASN A 60 -15.773 -4.590 3.862 1.00 -0.87 N flip ATOM 0 H ASN A 60 -12.882 -6.678 0.056 1.00 -0.46 H new ATOM 0 HA ASN A 60 -14.051 -4.281 1.273 1.00 0.04 H new ATOM 0 HB2 ASN A 60 -15.760 -6.013 1.795 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 -14.516 -7.093 2.394 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 -16.438 -4.359 3.124 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 -15.848 -4.142 4.775 1.00 -0.87 H new ATOM 858 N LEU A 61 -12.016 -4.317 2.919 1.00 -0.46 N ATOM 859 CA LEU A 61 -10.688 -4.315 3.541 1.00 0.04 C ATOM 860 C LEU A 61 -10.692 -3.495 4.817 1.00 0.62 C ATOM 861 O LEU A 61 -11.363 -2.475 4.829 1.00 -0.50 O ATOM 862 CB LEU A 61 -9.662 -3.850 2.469 1.00 -0.06 C ATOM 863 CG LEU A 61 -8.176 -3.776 2.934 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -7.186 -4.115 1.783 1.00 -0.11 C ATOM 865 CD2 LEU A 61 -7.841 -2.357 3.473 1.00 -0.11 C ATOM 0 H LEU A 61 -12.606 -3.520 3.157 1.00 -0.46 H new ATOM 0 HA LEU A 61 -10.392 -5.313 3.865 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -9.723 -4.528 1.618 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -9.960 -2.864 2.112 1.00 -0.06 H new ATOM 0 HG LEU A 61 -8.060 -4.517 3.725 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -6.163 -4.051 2.153 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -7.379 -5.125 1.423 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -7.322 -3.406 0.966 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -6.799 -2.326 3.793 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -8.001 -1.621 2.685 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -8.487 -2.128 4.320 1.00 -0.11 H new ATOM 877 N ASN A 62 -9.986 -3.923 5.894 1.00 -0.46 N ATOM 878 CA ASN A 62 -10.090 -3.253 7.195 1.00 0.04 C ATOM 879 C ASN A 62 -8.807 -2.516 7.514 1.00 0.62 C ATOM 880 O ASN A 62 -8.024 -2.991 8.322 1.00 -0.50 O ATOM 881 CB ASN A 62 -10.428 -4.343 8.252 1.00 -0.09 C ATOM 882 CG ASN A 62 -10.647 -3.799 9.642 1.00 0.68 C ATOM 883 OD1 ASN A 62 -10.394 -2.631 9.891 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -11.118 -4.641 10.583 1.00 -0.87 N ATOM 0 H ASN A 62 -9.349 -4.720 5.879 1.00 -0.46 H new ATOM 0 HA ASN A 62 -10.878 -2.500 7.191 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -11.324 -4.876 7.936 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -9.617 -5.071 8.281 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -11.273 -4.307 11.534 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -11.320 -5.612 10.344 1.00 -0.87 H new ATOM 891 N GLU A 63 -8.564 -1.337 6.897 1.00 -0.46 N ATOM 892 CA GLU A 63 -7.325 -0.619 7.193 1.00 0.04 C ATOM 893 C GLU A 63 -7.338 -0.163 8.633 1.00 0.62 C ATOM 894 O GLU A 63 -6.296 -0.208 9.264 1.00 -0.50 O ATOM 895 CB GLU A 63 -7.058 0.566 6.226 1.00 -0.18 C ATOM 896 CG GLU A 63 -5.670 1.223 6.487 1.00 -0.40 C ATOM 897 CD GLU A 63 -4.491 0.299 6.301 1.00 0.71 C ATOM 898 OE1 GLU A 63 -4.570 -0.626 5.450 1.00 -0.72 O ATOM 899 OE2 GLU A 63 -3.468 0.493 7.013 1.00 -0.72 O ATOM 0 H GLU A 63 -9.184 -0.887 6.223 1.00 -0.46 H new ATOM 0 HA GLU A 63 -6.499 -1.313 7.038 1.00 0.04 H new ATOM 0 HB2 GLU A 63 -7.105 0.213 5.196 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 -7.842 1.314 6.342 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 -5.555 2.076 5.818 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 -5.653 1.612 7.505 1.00 -0.40 H new ATOM 906 N ASP A 64 -8.492 0.264 9.194 1.00 -0.46 N ATOM 907 CA ASP A 64 -8.509 0.654 10.604 1.00 0.04 C ATOM 908 C ASP A 64 -7.824 -0.387 11.470 1.00 0.62 C ATOM 909 O ASP A 64 -7.089 -0.013 12.371 1.00 -0.50 O ATOM 910 CB ASP A 64 -9.950 0.954 11.090 1.00 -0.40 C ATOM 911 CG ASP A 64 -10.507 2.135 10.337 1.00 0.71 C ATOM 912 OD1 ASP A 64 -9.895 3.239 10.422 1.00 -0.72 O ATOM 913 OD2 ASP A 64 -11.545 1.971 9.643 1.00 -0.72 O ATOM 0 H ASP A 64 -9.385 0.343 8.708 1.00 -0.46 H new ATOM 0 HA ASP A 64 -7.940 1.579 10.701 1.00 0.04 H new ATOM 0 HB2 ASP A 64 -10.585 0.081 10.937 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 -9.947 1.162 12.160 1.00 -0.40 H new ATOM 918 N ASN A 65 -8.010 -1.700 11.205 1.00 -0.46 N ATOM 919 CA ASN A 65 -7.232 -2.703 11.938 1.00 0.04 C ATOM 920 C ASN A 65 -5.753 -2.491 11.670 1.00 0.62 C ATOM 921 O ASN A 65 -4.981 -2.332 12.603 1.00 -0.50 O ATOM 922 CB ASN A 65 -7.657 -4.146 11.544 1.00 -0.09 C ATOM 923 CG ASN A 65 -6.890 -5.228 12.262 1.00 0.68 C ATOM 924 OD1 ASN A 65 -6.082 -4.936 13.128 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -7.124 -6.511 11.920 1.00 -0.87 N ATOM 0 H ASN A 65 -8.665 -2.071 10.517 1.00 -0.46 H new ATOM 0 HA ASN A 65 -7.427 -2.584 13.004 1.00 0.04 H new ATOM 0 HB2 ASN A 65 -8.720 -4.270 11.751 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -7.524 -4.272 10.470 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -6.620 -7.264 12.389 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -7.805 -6.729 11.192 1.00 -0.87 H new ATOM 932 N ALA A 66 -5.328 -2.475 10.386 1.00 -0.46 N ATOM 933 CA ALA A 66 -3.906 -2.280 10.086 1.00 0.04 C ATOM 934 C ALA A 66 -3.399 -0.880 10.357 1.00 0.62 C ATOM 935 O ALA A 66 -2.199 -0.700 10.253 1.00 -0.50 O ATOM 936 CB ALA A 66 -3.605 -2.652 8.614 1.00 -0.10 C ATOM 0 H ALA A 66 -5.931 -2.591 9.572 1.00 -0.46 H new ATOM 0 HA ALA A 66 -3.376 -2.944 10.769 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -2.545 -2.501 8.410 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -3.862 -3.697 8.443 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -4.196 -2.020 7.951 1.00 -0.10 H new ATOM 942 N ARG A 67 -4.234 0.118 10.715 1.00 -0.46 N ATOM 943 CA ARG A 67 -3.733 1.464 11.019 1.00 0.04 C ATOM 944 C ARG A 67 -2.409 1.437 11.761 1.00 0.62 C ATOM 945 O ARG A 67 -1.532 2.231 11.457 1.00 -0.50 O ATOM 946 CB ARG A 67 -4.783 2.194 11.903 1.00 -0.08 C ATOM 947 CG ARG A 67 -4.519 3.707 12.127 1.00 -0.10 C ATOM 948 CD ARG A 67 -4.666 4.563 10.830 1.00 -0.23 C ATOM 949 NE ARG A 67 -5.632 4.069 9.833 1.00 -0.32 N ATOM 950 CZ ARG A 67 -6.946 4.095 9.966 1.00 0.76 C ATOM 951 NH1 ARG A 67 -7.554 4.561 11.023 1.00 -0.62 N ATOM 952 NH2 ARG A 67 -7.691 3.632 8.992 1.00 -0.62 N ATOM 0 H ARG A 67 -5.245 0.014 10.798 1.00 -0.46 H new ATOM 0 HA ARG A 67 -3.572 1.981 10.073 1.00 0.04 H new ATOM 0 HB2 ARG A 67 -5.765 2.077 11.445 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 -4.823 1.701 12.874 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 -5.212 4.081 12.880 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 -3.513 3.837 12.527 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 -4.956 5.574 11.117 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 -3.688 4.635 10.354 1.00 -0.23 H new ATOM 0 HE ARG A 67 -5.256 3.675 8.971 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 -7.010 4.931 11.803 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 -8.573 4.555 11.069 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 -7.254 3.260 8.149 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 -8.707 3.644 9.077 1.00 -0.62 H new ATOM 966 N SER A 68 -2.246 0.522 12.745 1.00 -0.46 N ATOM 967 CA SER A 68 -0.985 0.442 13.486 1.00 0.04 C ATOM 968 C SER A 68 0.137 -0.206 12.702 1.00 0.62 C ATOM 969 O SER A 68 1.283 0.116 12.970 1.00 -0.50 O ATOM 970 CB SER A 68 -1.189 -0.425 14.754 1.00 0.02 C ATOM 971 OG SER A 68 -1.557 -1.749 14.328 1.00 -0.55 O ATOM 0 H SER A 68 -2.957 -0.151 13.032 1.00 -0.46 H new ATOM 0 HA SER A 68 -0.707 1.471 13.713 1.00 0.04 H new ATOM 0 HB2 SER A 68 -0.275 -0.455 15.347 1.00 0.02 H new ATOM 0 HB3 SER A 68 -1.966 0.002 15.388 1.00 0.02 H new ATOM 0 HG SER A 68 -1.691 -2.320 15.113 1.00 -0.55 H new ATOM 977 N ILE A 69 -0.138 -1.135 11.759 1.00 -0.46 N ATOM 978 CA ILE A 69 0.941 -1.876 11.104 1.00 0.04 C ATOM 979 C ILE A 69 2.042 -0.990 10.546 1.00 0.62 C ATOM 980 O ILE A 69 3.171 -1.225 10.951 1.00 -0.50 O ATOM 981 CB ILE A 69 0.437 -2.981 10.112 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -0.067 -4.226 10.910 1.00 -0.05 C ATOM 983 CG2 ILE A 69 1.530 -3.362 9.071 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -0.866 -5.254 10.066 1.00 -0.09 C ATOM 0 H ILE A 69 -1.078 -1.379 11.446 1.00 -0.46 H new ATOM 0 HA ILE A 69 1.425 -2.434 11.905 1.00 0.04 H new ATOM 0 HB ILE A 69 -0.402 -2.578 9.544 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 0.792 -4.729 11.353 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -0.695 -3.884 11.732 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 1.143 -4.130 8.402 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 1.804 -2.480 8.492 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 2.410 -3.743 9.590 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -1.176 -6.084 10.701 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -1.748 -4.771 9.644 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -0.237 -5.630 9.259 1.00 -0.09 H new ATOM 996 N PRO A 70 1.869 -0.004 9.626 1.00 -0.23 N ATOM 997 CA PRO A 70 3.046 0.618 9.043 1.00 0.04 C ATOM 998 C PRO A 70 3.972 1.213 10.086 1.00 0.53 C ATOM 999 O PRO A 70 5.126 0.811 10.063 1.00 -0.50 O ATOM 1000 CB PRO A 70 2.463 1.478 7.892 1.00 -0.12 C ATOM 1001 CG PRO A 70 1.054 0.863 7.684 1.00 -0.12 C ATOM 1002 CD PRO A 70 0.582 0.395 9.084 1.00 -0.01 C ATOM 0 HA PRO A 70 3.785 -0.049 8.598 1.00 0.04 H new ATOM 0 HB2 PRO A 70 2.408 2.532 8.163 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 3.071 1.412 6.990 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 0.366 1.597 7.265 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 1.092 0.027 6.985 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 0.110 1.192 9.659 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -0.130 -0.429 9.036 1.00 -0.01 H new ATOM 1010 N PRO A 71 3.600 2.102 11.047 1.00 -0.23 N ATOM 1011 CA PRO A 71 4.541 2.416 12.115 1.00 0.04 C ATOM 1012 C PRO A 71 4.978 1.188 12.887 1.00 0.53 C ATOM 1013 O PRO A 71 6.162 1.037 13.146 1.00 -0.50 O ATOM 1014 CB PRO A 71 3.684 3.358 13.000 1.00 -0.12 C ATOM 1015 CG PRO A 71 2.659 3.946 12.006 1.00 -0.12 C ATOM 1016 CD PRO A 71 2.289 2.738 11.114 1.00 -0.01 C ATOM 0 HA PRO A 71 5.476 2.846 11.758 1.00 0.04 H new ATOM 0 HB2 PRO A 71 3.194 2.815 13.808 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 4.290 4.138 13.461 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 1.786 4.348 12.520 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 3.088 4.760 11.422 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 1.531 2.097 11.565 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 1.914 3.035 10.135 1.00 -0.01 H new ATOM 1024 N LYS A 72 4.036 0.295 13.273 1.00 -0.46 N ATOM 1025 CA LYS A 72 4.396 -0.860 14.100 1.00 0.04 C ATOM 1026 C LYS A 72 5.167 -1.861 13.260 1.00 0.62 C ATOM 1027 O LYS A 72 4.569 -2.810 12.782 1.00 -0.50 O ATOM 1028 CB LYS A 72 3.127 -1.477 14.757 1.00 -0.10 C ATOM 1029 CG LYS A 72 3.452 -2.600 15.781 1.00 -0.16 C ATOM 1030 CD LYS A 72 2.142 -3.181 16.387 1.00 -0.18 C ATOM 1031 CE LYS A 72 2.384 -4.385 17.342 1.00 -0.04 C ATOM 1032 NZ LYS A 72 3.152 -4.026 18.559 1.00 -0.14 N ATOM 0 H LYS A 72 3.048 0.356 13.028 1.00 -0.46 H new ATOM 0 HA LYS A 72 5.045 -0.545 14.917 1.00 0.04 H new ATOM 0 HB2 LYS A 72 2.565 -0.689 15.258 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 2.482 -1.881 13.977 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 4.017 -3.394 15.292 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 4.083 -2.203 16.576 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 1.622 -2.393 16.932 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 1.484 -3.496 15.577 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 1.422 -4.803 17.639 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 2.918 -5.166 16.801 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 3.278 -4.871 19.152 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 4.083 -3.653 18.284 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 2.634 -3.301 19.095 1.00 -0.14 H new ATOM 1046 N CYS A 73 6.495 -1.639 13.094 1.00 -0.46 N ATOM 1047 CA CYS A 73 7.385 -2.513 12.319 1.00 0.04 C ATOM 1048 C CYS A 73 8.106 -1.715 11.250 1.00 0.62 C ATOM 1049 O CYS A 73 9.128 -2.200 10.791 1.00 -0.50 O ATOM 1050 CB CYS A 73 6.819 -3.826 11.704 1.00 -0.10 C ATOM 1051 SG CYS A 73 8.180 -4.869 11.064 1.00 0.82 S ATOM 0 H CYS A 73 6.975 -0.837 13.503 1.00 -0.46 H new ATOM 0 HA CYS A 73 8.054 -2.889 13.093 1.00 0.04 H new ATOM 0 HB2 CYS A 73 6.255 -4.375 12.458 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 6.125 -3.588 10.898 1.00 -0.10 H new ATOM 1056 N GLY A 74 7.630 -0.518 10.830 1.00 -0.46 N ATOM 1057 CA GLY A 74 8.398 0.271 9.868 1.00 0.04 C ATOM 1058 C GLY A 74 8.162 1.759 10.009 1.00 0.62 C ATOM 1059 O GLY A 74 8.916 2.406 10.718 1.00 -0.50 O ATOM 0 H GLY A 74 6.751 -0.100 11.134 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 9.460 0.062 9.999 1.00 0.04 H new ATOM 0 HA3 GLY A 74 8.134 -0.040 8.857 1.00 0.04 H new ATOM 1063 N VAL A 75 7.134 2.327 9.336 1.00 -0.46 N ATOM 1064 CA VAL A 75 6.994 3.782 9.266 1.00 0.04 C ATOM 1065 C VAL A 75 5.639 4.162 8.701 1.00 0.62 C ATOM 1066 O VAL A 75 5.046 3.339 8.020 1.00 -0.50 O ATOM 1067 CB VAL A 75 8.149 4.325 8.371 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 8.111 3.681 6.960 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 8.165 5.873 8.255 1.00 -0.09 C ATOM 0 H VAL A 75 6.408 1.804 8.846 1.00 -0.46 H new ATOM 0 HA VAL A 75 7.057 4.220 10.262 1.00 0.04 H new ATOM 0 HB VAL A 75 9.073 4.039 8.873 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 8.928 4.078 6.357 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.219 2.600 7.050 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 7.160 3.912 6.480 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 8.994 6.182 7.618 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 7.226 6.215 7.820 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 8.286 6.311 9.246 1.00 -0.09 H new ATOM 1079 N ASN A 76 5.127 5.388 8.957 1.00 -0.46 N ATOM 1080 CA ASN A 76 3.876 5.812 8.320 1.00 0.04 C ATOM 1081 C ASN A 76 4.065 5.972 6.822 1.00 0.62 C ATOM 1082 O ASN A 76 5.188 5.878 6.352 1.00 -0.50 O ATOM 1083 CB ASN A 76 3.363 7.134 8.961 1.00 -0.09 C ATOM 1084 CG ASN A 76 4.305 8.295 8.751 1.00 0.68 C ATOM 1085 OD1 ASN A 76 5.400 8.106 8.247 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 3.909 9.523 9.139 1.00 -0.87 N ATOM 0 H ASN A 76 5.550 6.076 9.580 1.00 -0.46 H new ATOM 0 HA ASN A 76 3.124 5.040 8.483 1.00 0.04 H new ATOM 0 HB2 ASN A 76 2.389 7.382 8.539 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 3.217 6.980 10.030 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 4.530 10.322 9.014 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 2.988 9.653 9.558 1.00 -0.87 H new ATOM 1093 N LEU A 77 2.982 6.214 6.045 1.00 -0.46 N ATOM 1094 CA LEU A 77 3.116 6.431 4.598 1.00 0.04 C ATOM 1095 C LEU A 77 3.195 7.917 4.325 1.00 0.62 C ATOM 1096 O LEU A 77 2.649 8.650 5.134 1.00 -0.50 O ATOM 1097 CB LEU A 77 1.899 5.831 3.833 1.00 -0.06 C ATOM 1098 CG LEU A 77 1.980 4.288 3.628 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 2.974 3.907 2.491 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 2.325 3.543 4.948 1.00 -0.11 C ATOM 0 H LEU A 77 2.025 6.262 6.395 1.00 -0.46 H new ATOM 0 HA LEU A 77 4.022 5.934 4.252 1.00 0.04 H new ATOM 0 HB2 LEU A 77 0.986 6.068 4.380 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 1.821 6.313 2.859 1.00 -0.06 H new ATOM 0 HG LEU A 77 0.987 3.961 3.320 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 3.001 2.823 2.380 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 2.647 4.360 1.555 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 3.970 4.271 2.741 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 2.371 2.470 4.759 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 3.290 3.888 5.319 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 1.556 3.747 5.693 1.00 -0.11 H new ATOM 1112 N PRO A 78 3.817 8.436 3.232 1.00 -0.23 N ATOM 1113 CA PRO A 78 3.847 9.880 3.032 1.00 0.04 C ATOM 1114 C PRO A 78 2.591 10.380 2.349 1.00 0.53 C ATOM 1115 O PRO A 78 2.732 11.186 1.443 1.00 -0.50 O ATOM 1116 CB PRO A 78 5.095 9.951 2.113 1.00 -0.12 C ATOM 1117 CG PRO A 78 4.943 8.692 1.230 1.00 -0.12 C ATOM 1118 CD PRO A 78 4.515 7.610 2.250 1.00 -0.01 C ATOM 0 HA PRO A 78 3.892 10.491 3.933 1.00 0.04 H new ATOM 0 HB2 PRO A 78 5.107 10.864 1.517 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 6.021 9.933 2.687 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 4.194 8.832 0.450 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 5.877 8.432 0.732 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 3.866 6.855 1.806 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 5.368 7.085 2.680 1.00 -0.01 H new ATOM 1126 N TYR A 79 1.377 9.928 2.761 1.00 -0.46 N ATOM 1127 CA TYR A 79 0.118 10.370 2.140 1.00 0.04 C ATOM 1128 C TYR A 79 -1.013 9.384 2.396 1.00 0.62 C ATOM 1129 O TYR A 79 -0.741 8.238 2.714 1.00 -0.50 O ATOM 1130 CB TYR A 79 0.187 10.683 0.619 1.00 -0.10 C ATOM 1131 CG TYR A 79 0.937 9.686 -0.286 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 1.399 8.423 0.114 1.00 0.00 C ATOM 1133 CD2 TYR A 79 1.147 10.081 -1.612 1.00 0.00 C ATOM 1134 CE1 TYR A 79 2.027 7.563 -0.796 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 1.701 9.196 -2.533 1.00 -0.26 C ATOM 1136 CZ TYR A 79 2.175 7.942 -2.136 1.00 0.46 C ATOM 1137 OH TYR A 79 2.783 7.110 -3.089 1.00 -0.53 O ATOM 0 H TYR A 79 1.253 9.259 3.520 1.00 -0.46 H new ATOM 0 HA TYR A 79 -0.082 11.321 2.634 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -0.834 10.769 0.248 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 0.653 11.661 0.499 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 1.268 8.109 1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.877 11.079 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.398 6.605 -0.463 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 1.766 9.483 -3.572 1.00 -0.26 H new ATOM 0 HH TYR A 79 2.580 7.441 -3.989 1.00 -0.53 H new ATOM 1147 N THR A 80 -2.294 9.809 2.250 1.00 -0.46 N ATOM 1148 CA THR A 80 -3.423 8.877 2.358 1.00 0.04 C ATOM 1149 C THR A 80 -3.472 8.001 1.126 1.00 0.62 C ATOM 1150 O THR A 80 -3.690 6.807 1.253 1.00 -0.50 O ATOM 1151 CB THR A 80 -4.773 9.639 2.440 1.00 0.17 C ATOM 1152 OG1 THR A 80 -4.801 10.562 1.337 1.00 -0.55 O ATOM 1153 CG2 THR A 80 -4.910 10.399 3.786 1.00 -0.19 C ATOM 0 H THR A 80 -2.558 10.776 2.061 1.00 -0.46 H new ATOM 0 HA THR A 80 -3.279 8.285 3.262 1.00 0.04 H new ATOM 0 HB THR A 80 -5.606 8.938 2.388 1.00 0.17 H new ATOM 0 HG1 THR A 80 -5.642 11.064 1.352 1.00 -0.55 H new ATOM 0 HG21 THR A 80 -5.866 10.922 3.813 1.00 -0.19 H new ATOM 0 HG22 THR A 80 -4.862 9.689 4.611 1.00 -0.19 H new ATOM 0 HG23 THR A 80 -4.098 11.120 3.881 1.00 -0.19 H new ATOM 1161 N ILE A 81 -3.261 8.586 -0.074 1.00 -0.46 N ATOM 1162 CA ILE A 81 -3.052 7.787 -1.286 1.00 0.04 C ATOM 1163 C ILE A 81 -4.152 6.762 -1.505 1.00 0.62 C ATOM 1164 O ILE A 81 -3.961 5.573 -1.314 1.00 -0.50 O ATOM 1165 CB ILE A 81 -1.566 7.304 -1.311 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 -1.047 6.940 -2.736 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 -1.189 6.226 -0.249 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 -1.884 5.847 -3.432 1.00 -0.09 C ATOM 0 H ILE A 81 -3.232 9.595 -0.221 1.00 -0.46 H new ATOM 0 HA ILE A 81 -3.167 8.383 -2.191 1.00 0.04 H new ATOM 0 HB ILE A 81 -1.021 8.195 -0.997 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.048 7.837 -3.355 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -0.013 6.604 -2.663 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -0.137 5.963 -0.355 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -1.365 6.623 0.751 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -1.802 5.337 -0.399 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -1.468 5.643 -4.418 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -1.863 4.936 -2.834 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -2.914 6.189 -3.536 1.00 -0.09 H new ATOM 1180 N SER A 82 -5.349 7.208 -1.947 1.00 -0.46 N ATOM 1181 CA SER A 82 -6.414 6.260 -2.279 1.00 0.04 C ATOM 1182 C SER A 82 -6.679 5.212 -1.216 1.00 0.62 C ATOM 1183 O SER A 82 -7.167 5.596 -0.165 1.00 -0.50 O ATOM 1184 CB SER A 82 -6.213 5.647 -3.688 1.00 0.02 C ATOM 1185 OG SER A 82 -7.150 4.578 -3.910 1.00 -0.55 O ATOM 0 H SER A 82 -5.590 8.191 -2.077 1.00 -0.46 H new ATOM 0 HA SER A 82 -7.330 6.850 -2.304 1.00 0.04 H new ATOM 0 HB2 SER A 82 -6.344 6.417 -4.448 1.00 0.02 H new ATOM 0 HB3 SER A 82 -5.194 5.272 -3.786 1.00 0.02 H new ATOM 0 HG SER A 82 -8.058 4.943 -3.956 1.00 -0.55 H new ATOM 1191 N LEU A 83 -6.429 3.899 -1.448 1.00 -0.46 N ATOM 1192 CA LEU A 83 -6.882 2.876 -0.503 1.00 0.04 C ATOM 1193 C LEU A 83 -8.308 3.198 -0.100 1.00 0.62 C ATOM 1194 O LEU A 83 -8.606 3.207 1.082 1.00 -0.50 O ATOM 1195 CB LEU A 83 -5.840 2.817 0.648 1.00 -0.06 C ATOM 1196 CG LEU A 83 -5.990 1.633 1.651 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -5.888 0.243 0.961 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 -4.884 1.764 2.734 1.00 -0.11 C ATOM 0 H LEU A 83 -5.929 3.541 -2.262 1.00 -0.46 H new ATOM 0 HA LEU A 83 -6.928 1.870 -0.919 1.00 0.04 H new ATOM 0 HB2 LEU A 83 -4.844 2.769 0.207 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 -5.895 3.750 1.209 1.00 -0.06 H new ATOM 0 HG LEU A 83 -6.984 1.690 2.095 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 -6.000 -0.543 1.708 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 -6.676 0.149 0.214 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 -4.916 0.148 0.476 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 -4.973 0.943 3.446 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 -3.904 1.728 2.259 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 -4.999 2.713 3.258 1.00 -0.11 H new ATOM 1210 N ASN A 84 -9.155 3.492 -1.121 1.00 -0.46 N ATOM 1211 CA ASN A 84 -10.521 4.002 -0.941 1.00 0.04 C ATOM 1212 C ASN A 84 -10.742 5.143 -1.925 1.00 0.62 C ATOM 1213 O ASN A 84 -11.537 4.993 -2.839 1.00 -0.50 O ATOM 1214 CB ASN A 84 -10.916 4.479 0.490 1.00 -0.09 C ATOM 1215 CG ASN A 84 -12.256 5.171 0.568 1.00 0.68 C ATOM 1216 OD1 ASN A 84 -13.012 5.155 -0.389 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 -12.588 5.795 1.716 1.00 -0.87 N ATOM 0 H ASN A 84 -8.896 3.377 -2.101 1.00 -0.46 H new ATOM 0 HA ASN A 84 -11.166 3.142 -1.122 1.00 0.04 H new ATOM 0 HB2 ASN A 84 -10.926 3.617 1.157 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 -10.148 5.159 0.859 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 -13.488 6.267 1.798 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 -11.939 5.795 2.503 1.00 -0.87 H new ATOM 1224 N ILE A 85 -10.049 6.294 -1.748 1.00 -0.46 N ATOM 1225 CA ILE A 85 -10.345 7.505 -2.529 1.00 0.04 C ATOM 1226 C ILE A 85 -9.514 7.588 -3.804 1.00 0.62 C ATOM 1227 O ILE A 85 -9.040 6.552 -4.250 1.00 -0.50 O ATOM 1228 CB ILE A 85 -10.345 8.769 -1.595 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 -8.939 9.382 -1.265 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 -11.211 8.531 -0.324 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 -8.267 8.948 0.068 1.00 -0.09 C ATOM 0 H ILE A 85 -9.289 6.402 -1.076 1.00 -0.46 H new ATOM 0 HA ILE A 85 -11.361 7.457 -2.922 1.00 0.04 H new ATOM 0 HB ILE A 85 -10.814 9.551 -2.192 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 -8.262 9.131 -2.081 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 -9.038 10.467 -1.255 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 -11.191 9.423 0.302 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 -12.238 8.317 -0.619 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 -10.811 7.686 0.236 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 -7.303 9.446 0.168 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 -8.907 9.225 0.905 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 -8.119 7.868 0.066 1.00 -0.09 H new ATOM 1243 N ASP A 86 -9.321 8.773 -4.437 1.00 -0.46 N ATOM 1244 CA ASP A 86 -8.491 8.859 -5.643 1.00 0.04 C ATOM 1245 C ASP A 86 -7.018 8.743 -5.304 1.00 0.62 C ATOM 1246 O ASP A 86 -6.654 8.904 -4.150 1.00 -0.50 O ATOM 1247 CB ASP A 86 -8.746 10.191 -6.399 1.00 -0.40 C ATOM 1248 CG ASP A 86 -8.291 11.345 -5.549 1.00 0.71 C ATOM 1249 OD1 ASP A 86 -8.873 11.514 -4.444 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 -7.353 12.071 -5.975 1.00 -0.72 O ATOM 0 H ASP A 86 -9.724 9.659 -4.132 1.00 -0.46 H new ATOM 0 HA ASP A 86 -8.770 8.025 -6.288 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -8.210 10.191 -7.348 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -9.806 10.292 -6.631 1.00 -0.40 H new ATOM 1255 N CYS A 87 -6.146 8.447 -6.298 1.00 -0.46 N ATOM 1256 CA CYS A 87 -4.719 8.275 -6.014 1.00 0.04 C ATOM 1257 C CYS A 87 -3.981 9.591 -6.120 1.00 0.62 C ATOM 1258 O CYS A 87 -4.293 10.369 -7.006 1.00 -0.50 O ATOM 1259 CB CYS A 87 -4.104 7.248 -6.998 1.00 -0.10 C ATOM 1260 SG CYS A 87 -2.384 6.845 -6.540 1.00 0.82 S ATOM 0 H CYS A 87 -6.406 8.327 -7.277 1.00 -0.46 H new ATOM 0 HA CYS A 87 -4.618 7.906 -4.993 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -4.705 6.339 -7.002 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -4.129 7.650 -8.011 1.00 -0.10 H new ATOM 1265 N SER A 88 -2.982 9.844 -5.242 1.00 -0.46 N ATOM 1266 CA SER A 88 -2.214 11.086 -5.320 1.00 0.04 C ATOM 1267 C SER A 88 -1.360 11.072 -6.570 1.00 0.62 C ATOM 1268 O SER A 88 -0.173 10.798 -6.492 1.00 -0.50 O ATOM 1269 CB SER A 88 -1.358 11.243 -4.036 1.00 0.02 C ATOM 1270 OG SER A 88 -2.238 11.120 -2.905 1.00 -0.55 O ATOM 0 H SER A 88 -2.701 9.213 -4.491 1.00 -0.46 H new ATOM 0 HA SER A 88 -2.883 11.944 -5.383 1.00 0.04 H new ATOM 0 HB2 SER A 88 -0.580 10.481 -4.000 1.00 0.02 H new ATOM 0 HB3 SER A 88 -0.857 12.211 -4.027 1.00 0.02 H new ATOM 0 HG SER A 88 -1.722 11.214 -2.077 1.00 -0.55 H new ATOM 1276 N ARG A 89 -1.954 11.355 -7.751 1.00 -0.46 N ATOM 1277 CA ARG A 89 -1.176 11.373 -8.991 1.00 0.04 C ATOM 1278 C ARG A 89 -0.392 12.668 -9.058 1.00 0.62 C ATOM 1279 O ARG A 89 -0.859 13.612 -9.673 1.00 -0.50 O ATOM 1280 CB ARG A 89 -2.105 11.209 -10.227 1.00 -0.08 C ATOM 1281 CG ARG A 89 -2.740 9.793 -10.268 1.00 -0.10 C ATOM 1282 CD ARG A 89 -3.844 9.642 -11.348 1.00 -0.23 C ATOM 1283 NE ARG A 89 -4.997 10.494 -11.015 1.00 -0.32 N ATOM 1284 CZ ARG A 89 -5.229 11.698 -11.495 1.00 0.76 C ATOM 1285 NH1 ARG A 89 -4.433 12.327 -12.328 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 -6.321 12.323 -11.120 1.00 -0.62 N ATOM 0 H ARG A 89 -2.945 11.568 -7.863 1.00 -0.46 H new ATOM 0 HA ARG A 89 -0.480 10.534 -9.000 1.00 0.04 H new ATOM 0 HB2 ARG A 89 -2.892 11.963 -10.196 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 -1.534 11.381 -11.140 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 -1.957 9.058 -10.454 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 -3.165 9.565 -9.290 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 -3.448 9.918 -12.325 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 -4.159 8.601 -11.414 1.00 -0.23 H new ATOM 0 HE ARG A 89 -5.677 10.118 -10.354 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 -3.571 11.882 -12.644 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 -4.677 13.260 -12.660 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 -6.968 11.875 -10.471 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 -6.523 13.257 -11.478 1.00 -0.62 H new ATOM 1300 N VAL A 90 0.805 12.726 -8.428 1.00 -0.46 N ATOM 1301 CA VAL A 90 1.600 13.957 -8.429 1.00 0.04 C ATOM 1302 C VAL A 90 3.074 13.631 -8.378 1.00 0.62 C ATOM 1303 O VAL A 90 3.464 12.561 -7.936 1.00 -0.50 O ATOM 1304 CB VAL A 90 1.165 14.852 -7.232 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 1.393 14.138 -5.869 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 1.888 16.227 -7.241 1.00 -0.09 C ATOM 1307 OXT VAL A 90 3.904 14.570 -8.846 1.00 0.00 O ATOM 0 H VAL A 90 1.227 11.946 -7.924 1.00 -0.46 H new ATOM 0 HA VAL A 90 1.423 14.509 -9.352 1.00 0.04 H new ATOM 0 HB VAL A 90 0.097 15.030 -7.354 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 1.078 14.794 -5.057 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 0.810 13.217 -5.839 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 2.451 13.902 -5.754 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 1.555 16.819 -6.389 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 2.965 16.072 -7.176 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 1.652 16.756 -8.164 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 1.242 0.442 2.755 1.00 -0.12 C HETATM 1320 C2 E2P A 91 0.978 -0.409 4.028 1.00 -0.07 C HETATM 1321 C3 E2P A 91 1.003 -1.942 3.773 1.00 -0.07 C HETATM 1322 C4 E2P A 91 -0.111 -2.464 2.813 1.00 -0.07 C HETATM 1323 C5 E2P A 91 -1.549 -2.481 3.432 1.00 -0.06 C HETATM 1324 C6 E2P A 91 -2.590 -1.550 2.741 1.00 0.16 C HETATM 1325 O6 E2P A 91 -2.439 -0.184 3.153 1.00 -0.46 O HETATM 1326 C7 E2P A 91 -2.577 -1.743 1.239 1.00 0.02 C HETATM 1327 C8 E2P A 91 -2.415 -0.760 0.346 1.00 -0.14 C HETATM 1328 C9 E2P A 91 -2.363 -0.990 -1.109 1.00 0.02 C HETATM 1329 C10 E2P A 91 -3.441 -1.727 -1.866 1.00 -0.01 C HETATM 1330 C11 E2P A 91 -2.913 -1.822 -3.326 1.00 -0.02 C HETATM 1331 C12 E2P A 91 -1.646 -1.030 -3.249 1.00 0.21 C HETATM 1332 O12 E2P A 91 -0.929 -0.798 -4.209 1.00 -0.34 O HETATM 1333 C13 E2P A 91 -1.359 -0.580 -1.889 1.00 -0.11 C HETATM 1334 C14 E2P A 91 -0.117 0.158 -1.458 1.00 0.04 C HETATM 1335 C15 E2P A 91 -0.415 1.616 -1.208 1.00 -0.12 C HETATM 1336 C16 E2P A 91 -0.166 2.644 -2.032 1.00 -0.11 C HETATM 1337 C17 E2P A 91 0.466 2.586 -3.406 1.00 -0.01 C HETATM 1338 C18 E2P A 91 1.871 3.194 -3.262 1.00 -0.07 C HETATM 1339 C19 E2P A 91 2.779 2.280 -2.408 1.00 -0.01 C HETATM 1340 C20 E2P A 91 3.982 3.092 -2.061 1.00 0.35 C HETATM 1341 O21 E2P A 91 4.625 2.709 -0.971 1.00 -0.38 O HETATM 1342 O20 E2P A 91 4.313 4.067 -2.724 1.00 -0.35 O HETATM 0 H192 E2P A 91 2.261 1.948 -1.508 1.00 -0.01 H new HETATM 0 H191 E2P A 91 3.061 1.385 -2.962 1.00 -0.01 H new HETATM 0 H182 E2P A 91 2.314 3.336 -4.248 1.00 -0.07 H new HETATM 0 H181 E2P A 91 1.801 4.179 -2.800 1.00 -0.07 H new HETATM 0 H172 E2P A 91 0.522 1.558 -3.765 1.00 -0.01 H new HETATM 0 H171 E2P A 91 -0.127 3.145 -4.130 1.00 -0.01 H new HETATM 0 H142 E2P A 91 0.284 -0.296 -0.552 1.00 0.04 H new HETATM 0 H141 E2P A 91 0.650 0.066 -2.227 1.00 0.04 H new HETATM 0 H102 E2P A 91 -3.614 -2.717 -1.443 1.00 -0.01 H new HETATM 0 H101 E2P A 91 -4.390 -1.192 -1.823 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 -3.028 -0.005 3.915 1.00 -0.46 H new HETATM 0 H8 E2P A 91 -2.317 0.262 0.713 1.00 -0.14 H new HETATM 0 H79 E2P A 91 -2.732 -2.853 -3.628 1.00 -0.02 H new HETATM 0 H78 E2P A 91 -3.616 -1.398 -4.043 1.00 -0.02 H new HETATM 0 H7 E2P A 91 -2.709 -2.756 0.858 1.00 0.02 H new HETATM 0 H6 E2P A 91 -3.587 -1.840 3.074 1.00 0.16 H new HETATM 0 H52 E2P A 91 -1.926 -3.503 3.402 1.00 -0.06 H new HETATM 0 H51 E2P A 91 -1.476 -2.199 4.482 1.00 -0.06 H new HETATM 0 H42 E2P A 91 -0.122 -1.842 1.918 1.00 -0.07 H new HETATM 0 H41 E2P A 91 0.146 -3.475 2.495 1.00 -0.07 H new HETATM 0 H32 E2P A 91 1.975 -2.212 3.360 1.00 -0.07 H new HETATM 0 H31 E2P A 91 0.910 -2.457 4.729 1.00 -0.07 H new HETATM 0 H22 E2P A 91 1.727 -0.163 4.780 1.00 -0.07 H new HETATM 0 H21 E2P A 91 0.008 -0.135 4.443 1.00 -0.07 H new HETATM 0 H16 E2P A 91 -0.451 3.633 -1.672 1.00 -0.11 H new HETATM 0 H15 E2P A 91 -0.883 1.860 -0.254 1.00 -0.12 H new HETATM 0 H13 E2P A 91 1.209 1.501 3.012 1.00 -0.12 H new HETATM 0 H12 E2P A 91 2.224 0.197 2.351 1.00 -0.12 H new HETATM 0 H11 E2P A 91 0.478 0.226 2.008 1.00 -0.12 H new