USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 CYS SG : rot 121:sc= -2.95! USER MOD Set 1.2: A 91 TYR OH : rot -170:sc= -1.46 USER MOD Set 2.1: A 58 SER OG : rot -99:sc= 0.317 USER MOD Set 2.2: A 60 SER OG : rot 171:sc= 0.311 USER MOD Set 3.1: A 29 THR OG1 : rot 87:sc= 1.15 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= -0.359 USER MOD Set 4.1: A 20 MET CE :methyl 174:sc= -0.125 (180deg=-0.222) USER MOD Set 4.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.079) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc=-0.000162 USER MOD Single : A 16 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 84:sc= 0.0683 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.33) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.789 K(o=-0.79,f=-1.6) USER MOD Single : A 48 ASN : amide:sc= -0.195 K(o=-0.2,f=-3.6!) USER MOD Single : A 49 THR OG1 : rot 91:sc= 0.0705 USER MOD Single : A 51 THR OG1 : rot -27:sc= 1.16 USER MOD Single : A 53 LYS NZ :NH3+ -128:sc= -0.708 (180deg=-2.75!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 110:sc= -2.34 USER MOD Single : A 68 GLN : amide:sc=-0.00591 X(o=-0.0059,f=0) USER MOD Single : A 73 THR OG1 : rot 137:sc= -0.168 USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 0.984 (180deg=0.941) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.956 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.039) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 28:sc= 0.733 USER MOD Single : A 96 SER OG : rot -115:sc= -1.01 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.809 -25.381 -22.052 1.00 0.00 N ATOM 2 CA GLY A 1 -4.117 -25.214 -21.359 1.00 0.00 C ATOM 3 C GLY A 1 -4.736 -23.852 -21.612 1.00 0.00 C ATOM 4 O GLY A 1 -5.895 -23.755 -22.015 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.427 -26.327 -21.849 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.944 -25.275 -23.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.142 -24.658 -21.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.805 -25.990 -21.694 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.977 -25.353 -20.287 1.00 0.00 H new ATOM 10 N ILE A 2 -3.962 -22.799 -21.370 1.00 0.00 N ATOM 11 CA ILE A 2 -4.441 -21.436 -21.574 1.00 0.00 C ATOM 12 C ILE A 2 -5.595 -21.115 -20.627 1.00 0.00 C ATOM 13 O ILE A 2 -6.759 -21.129 -21.027 1.00 0.00 O ATOM 14 CB ILE A 2 -4.902 -21.213 -23.027 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.829 -21.690 -24.008 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.228 -19.745 -23.260 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.376 -22.542 -25.134 1.00 0.00 C ATOM 0 H ILE A 2 -3.001 -22.863 -21.033 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.605 -20.769 -21.363 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.806 -21.797 -23.198 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.324 -20.822 -24.432 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.078 -22.261 -23.463 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.552 -19.603 -24.291 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.025 -19.438 -22.583 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.340 -19.141 -23.073 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.560 -22.845 -25.791 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.856 -23.428 -24.719 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.106 -21.967 -25.704 1.00 0.00 H new ATOM 29 N PRO A 3 -5.285 -20.817 -19.353 1.00 0.00 N ATOM 30 CA PRO A 3 -6.304 -20.490 -18.351 1.00 0.00 C ATOM 31 C PRO A 3 -6.941 -19.128 -18.597 1.00 0.00 C ATOM 32 O PRO A 3 -6.253 -18.157 -18.915 1.00 0.00 O ATOM 33 CB PRO A 3 -5.519 -20.484 -17.037 1.00 0.00 C ATOM 34 CG PRO A 3 -4.120 -20.160 -17.435 1.00 0.00 C ATOM 35 CD PRO A 3 -3.921 -20.777 -18.792 1.00 0.00 C ATOM 0 HA PRO A 3 -7.133 -21.198 -18.365 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.915 -19.743 -16.342 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.575 -21.451 -16.538 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.964 -19.082 -17.470 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -3.407 -20.562 -16.715 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.250 -20.181 -19.410 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.487 -21.774 -18.720 1.00 0.00 H new ATOM 43 N GLU A 4 -8.260 -19.062 -18.448 1.00 0.00 N ATOM 44 CA GLU A 4 -8.992 -17.817 -18.655 1.00 0.00 C ATOM 45 C GLU A 4 -10.416 -17.927 -18.120 1.00 0.00 C ATOM 46 O GLU A 4 -11.232 -18.682 -18.650 1.00 0.00 O ATOM 47 CB GLU A 4 -9.018 -17.457 -20.142 1.00 0.00 C ATOM 48 CG GLU A 4 -7.921 -16.489 -20.552 1.00 0.00 C ATOM 49 CD GLU A 4 -8.433 -15.368 -21.437 1.00 0.00 C ATOM 50 OE1 GLU A 4 -9.614 -14.989 -21.291 1.00 0.00 O ATOM 51 OE2 GLU A 4 -7.652 -14.871 -22.275 1.00 0.00 O ATOM 0 H GLU A 4 -8.844 -19.856 -18.185 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.478 -17.027 -18.107 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.924 -18.370 -20.730 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.986 -17.020 -20.385 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.465 -16.062 -19.658 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.138 -17.035 -21.079 1.00 0.00 H new ATOM 58 N PHE A 5 -10.708 -17.171 -17.066 1.00 0.00 N ATOM 59 CA PHE A 5 -12.034 -17.185 -16.460 1.00 0.00 C ATOM 60 C PHE A 5 -12.487 -15.768 -16.115 1.00 0.00 C ATOM 61 O PHE A 5 -13.614 -15.376 -16.421 1.00 0.00 O ATOM 62 CB PHE A 5 -12.034 -18.057 -15.202 1.00 0.00 C ATOM 63 CG PHE A 5 -12.805 -19.336 -15.359 1.00 0.00 C ATOM 64 CD1 PHE A 5 -12.234 -20.432 -15.986 1.00 0.00 C ATOM 65 CD2 PHE A 5 -14.101 -19.442 -14.881 1.00 0.00 C ATOM 66 CE1 PHE A 5 -12.942 -21.611 -16.133 1.00 0.00 C ATOM 67 CE2 PHE A 5 -14.813 -20.617 -15.024 1.00 0.00 C ATOM 68 CZ PHE A 5 -14.232 -21.704 -15.651 1.00 0.00 C ATOM 0 H PHE A 5 -10.044 -16.542 -16.615 1.00 0.00 H new ATOM 0 HA PHE A 5 -12.734 -17.605 -17.182 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -11.004 -18.293 -14.934 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -12.456 -17.487 -14.374 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -11.225 -20.365 -16.364 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -14.560 -18.596 -14.391 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -12.486 -22.458 -16.624 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -15.822 -20.687 -14.646 1.00 0.00 H new ATOM 0 HZ PHE A 5 -14.787 -22.624 -15.763 1.00 0.00 H new ATOM 78 N LYS A 6 -11.604 -15.008 -15.478 1.00 0.00 N ATOM 79 CA LYS A 6 -11.912 -13.636 -15.092 1.00 0.00 C ATOM 80 C LYS A 6 -10.955 -12.654 -15.760 1.00 0.00 C ATOM 81 O LYS A 6 -9.824 -12.471 -15.309 1.00 0.00 O ATOM 82 CB LYS A 6 -11.845 -13.485 -13.571 1.00 0.00 C ATOM 83 CG LYS A 6 -13.167 -13.080 -12.940 1.00 0.00 C ATOM 84 CD LYS A 6 -14.220 -14.164 -13.110 1.00 0.00 C ATOM 85 CE LYS A 6 -15.173 -13.845 -14.252 1.00 0.00 C ATOM 86 NZ LYS A 6 -16.533 -13.495 -13.758 1.00 0.00 N ATOM 0 H LYS A 6 -10.668 -15.319 -15.218 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.924 -13.408 -15.426 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.518 -14.429 -13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.090 -12.740 -13.321 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.019 -12.878 -11.879 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.520 -12.154 -13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.732 -15.120 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.784 -14.272 -12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.774 -13.016 -14.837 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.239 -14.704 -14.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.152 -13.284 -14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.924 -14.295 -13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.474 -12.660 -13.141 1.00 0.00 H new ATOM 100 N GLN A 7 -11.415 -12.026 -16.837 1.00 0.00 N ATOM 101 CA GLN A 7 -10.599 -11.061 -17.567 1.00 0.00 C ATOM 102 C GLN A 7 -11.119 -9.641 -17.361 1.00 0.00 C ATOM 103 O GLN A 7 -10.350 -8.680 -17.382 1.00 0.00 O ATOM 104 CB GLN A 7 -10.585 -11.400 -19.060 1.00 0.00 C ATOM 105 CG GLN A 7 -11.971 -11.480 -19.678 1.00 0.00 C ATOM 106 CD GLN A 7 -12.131 -10.562 -20.874 1.00 0.00 C ATOM 107 OE1 GLN A 7 -11.298 -10.553 -21.781 1.00 0.00 O ATOM 108 NE2 GLN A 7 -13.208 -9.784 -20.884 1.00 0.00 N ATOM 0 H GLN A 7 -12.348 -12.168 -17.224 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.582 -11.116 -17.179 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.003 -10.646 -19.590 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.077 -12.354 -19.203 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.169 -12.507 -19.984 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.716 -11.222 -18.925 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.873 -9.824 -20.112 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.370 -9.147 -21.664 1.00 0.00 H new ATOM 117 N LYS A 8 -12.427 -9.518 -17.163 1.00 0.00 N ATOM 118 CA LYS A 8 -13.050 -8.217 -16.953 1.00 0.00 C ATOM 119 C LYS A 8 -13.385 -8.004 -15.481 1.00 0.00 C ATOM 120 O LYS A 8 -14.335 -8.588 -14.959 1.00 0.00 O ATOM 121 CB LYS A 8 -14.316 -8.092 -17.804 1.00 0.00 C ATOM 122 CG LYS A 8 -14.323 -6.871 -18.710 1.00 0.00 C ATOM 123 CD LYS A 8 -15.088 -5.716 -18.083 1.00 0.00 C ATOM 124 CE LYS A 8 -15.822 -4.895 -19.133 1.00 0.00 C ATOM 125 NZ LYS A 8 -15.550 -3.438 -18.986 1.00 0.00 N ATOM 0 H LYS A 8 -13.076 -10.304 -17.144 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.340 -7.448 -17.257 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.423 -8.988 -18.415 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.184 -8.050 -17.145 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.298 -6.562 -18.914 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.774 -7.130 -19.668 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.804 -6.104 -17.358 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.396 -5.075 -17.537 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.519 -5.223 -20.128 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.894 -5.075 -19.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.068 -2.913 -19.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.862 -3.120 -18.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.530 -3.263 -19.090 1.00 0.00 H new ATOM 139 N ALA A 9 -12.597 -7.166 -14.815 1.00 0.00 N ATOM 140 CA ALA A 9 -12.810 -6.876 -13.402 1.00 0.00 C ATOM 141 C ALA A 9 -12.690 -8.142 -12.559 1.00 0.00 C ATOM 142 O ALA A 9 -12.528 -9.239 -13.090 1.00 0.00 O ATOM 143 CB ALA A 9 -14.172 -6.229 -13.195 1.00 0.00 C ATOM 0 H ALA A 9 -11.805 -6.676 -15.231 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.037 -6.179 -13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.317 -6.018 -12.136 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.223 -5.299 -13.760 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.953 -6.906 -13.541 1.00 0.00 H new ATOM 149 N LEU A 10 -12.769 -7.980 -11.243 1.00 0.00 N ATOM 150 CA LEU A 10 -12.668 -9.110 -10.326 1.00 0.00 C ATOM 151 C LEU A 10 -13.721 -9.017 -9.227 1.00 0.00 C ATOM 152 O LEU A 10 -14.535 -9.924 -9.055 1.00 0.00 O ATOM 153 CB LEU A 10 -11.271 -9.169 -9.707 1.00 0.00 C ATOM 154 CG LEU A 10 -10.118 -8.959 -10.691 1.00 0.00 C ATOM 155 CD1 LEU A 10 -9.687 -7.500 -10.706 1.00 0.00 C ATOM 156 CD2 LEU A 10 -8.944 -9.859 -10.336 1.00 0.00 C ATOM 0 H LEU A 10 -12.903 -7.077 -10.787 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.844 -10.023 -10.895 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.204 -8.412 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.145 -10.138 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.465 -9.224 -11.690 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.866 -7.370 -11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.528 -6.875 -11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.358 -7.208 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.133 -9.696 -11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.597 -9.625 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.259 -10.902 -10.378 1.00 0.00 H new ATOM 168 N VAL A 11 -13.699 -7.916 -8.484 1.00 0.00 N ATOM 169 CA VAL A 11 -14.652 -7.707 -7.399 1.00 0.00 C ATOM 170 C VAL A 11 -15.707 -6.675 -7.787 1.00 0.00 C ATOM 171 O VAL A 11 -15.388 -5.626 -8.346 1.00 0.00 O ATOM 172 CB VAL A 11 -13.946 -7.244 -6.113 1.00 0.00 C ATOM 173 CG1 VAL A 11 -13.136 -8.380 -5.509 1.00 0.00 C ATOM 174 CG2 VAL A 11 -13.060 -6.038 -6.394 1.00 0.00 C ATOM 0 H VAL A 11 -13.032 -7.155 -8.613 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.136 -8.666 -7.213 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.706 -6.947 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.644 -8.033 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.799 -9.211 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.384 -8.711 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.569 -5.725 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.306 -6.305 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.670 -5.220 -6.776 1.00 0.00 H new ATOM 184 N ALA A 12 -16.964 -6.980 -7.483 1.00 0.00 N ATOM 185 CA ALA A 12 -18.068 -6.081 -7.798 1.00 0.00 C ATOM 186 C ALA A 12 -18.676 -5.495 -6.529 1.00 0.00 C ATOM 187 O ALA A 12 -19.893 -5.338 -6.426 1.00 0.00 O ATOM 188 CB ALA A 12 -19.129 -6.812 -8.606 1.00 0.00 C ATOM 0 H ALA A 12 -17.244 -7.844 -7.018 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.676 -5.258 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.947 -6.129 -8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -18.691 -7.177 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.510 -7.654 -8.029 1.00 0.00 H new ATOM 194 N LYS A 13 -17.822 -5.169 -5.563 1.00 0.00 N ATOM 195 CA LYS A 13 -18.275 -4.599 -4.301 1.00 0.00 C ATOM 196 C LYS A 13 -17.432 -3.386 -3.918 1.00 0.00 C ATOM 197 O LYS A 13 -16.284 -3.257 -4.341 1.00 0.00 O ATOM 198 CB LYS A 13 -18.213 -5.649 -3.189 1.00 0.00 C ATOM 199 CG LYS A 13 -18.935 -5.233 -1.918 1.00 0.00 C ATOM 200 CD LYS A 13 -20.442 -5.222 -2.112 1.00 0.00 C ATOM 201 CE LYS A 13 -21.137 -4.404 -1.035 1.00 0.00 C ATOM 202 NZ LYS A 13 -22.438 -5.007 -0.631 1.00 0.00 N ATOM 0 H LYS A 13 -16.812 -5.291 -5.632 1.00 0.00 H new ATOM 0 HA LYS A 13 -19.308 -4.276 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -18.647 -6.580 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.169 -5.855 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.676 -5.918 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.599 -4.241 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.681 -4.811 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.820 -6.244 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.487 -4.325 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.305 -3.391 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -22.880 -4.419 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.068 -5.059 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -22.276 -5.964 -0.258 1.00 0.00 H new ATOM 216 N VAL A 14 -18.010 -2.499 -3.115 1.00 0.00 N ATOM 217 CA VAL A 14 -17.314 -1.296 -2.676 1.00 0.00 C ATOM 218 C VAL A 14 -16.924 -1.394 -1.204 1.00 0.00 C ATOM 219 O VAL A 14 -15.880 -0.889 -0.792 1.00 0.00 O ATOM 220 CB VAL A 14 -18.176 -0.037 -2.889 1.00 0.00 C ATOM 221 CG1 VAL A 14 -19.460 -0.122 -2.074 1.00 0.00 C ATOM 222 CG2 VAL A 14 -17.393 1.218 -2.535 1.00 0.00 C ATOM 0 H VAL A 14 -18.960 -2.591 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.412 -1.212 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.445 0.019 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -20.055 0.776 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.031 -0.997 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.214 -0.206 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -18.021 2.095 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -17.088 1.174 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -16.509 1.286 -3.169 1.00 0.00 H new ATOM 232 N SER A 15 -17.769 -2.049 -0.415 1.00 0.00 N ATOM 233 CA SER A 15 -17.514 -2.215 1.012 1.00 0.00 C ATOM 234 C SER A 15 -16.185 -2.924 1.251 1.00 0.00 C ATOM 235 O SER A 15 -15.533 -2.713 2.273 1.00 0.00 O ATOM 236 CB SER A 15 -18.650 -3.005 1.664 1.00 0.00 C ATOM 237 OG SER A 15 -18.498 -4.396 1.441 1.00 0.00 O ATOM 0 H SER A 15 -18.637 -2.474 -0.740 1.00 0.00 H new ATOM 0 HA SER A 15 -17.461 -1.224 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.668 -2.805 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 15 -19.607 -2.672 1.262 1.00 0.00 H new ATOM 0 HG SER A 15 -19.236 -4.878 1.869 1.00 0.00 H new ATOM 243 N GLN A 16 -15.790 -3.766 0.301 1.00 0.00 N ATOM 244 CA GLN A 16 -14.538 -4.506 0.406 1.00 0.00 C ATOM 245 C GLN A 16 -13.350 -3.561 0.572 1.00 0.00 C ATOM 246 O GLN A 16 -12.300 -3.956 1.077 1.00 0.00 O ATOM 247 CB GLN A 16 -14.340 -5.386 -0.831 1.00 0.00 C ATOM 248 CG GLN A 16 -14.212 -6.866 -0.509 1.00 0.00 C ATOM 249 CD GLN A 16 -14.892 -7.747 -1.540 1.00 0.00 C ATOM 250 OE1 GLN A 16 -16.083 -7.598 -1.812 1.00 0.00 O ATOM 251 NE2 GLN A 16 -14.135 -8.673 -2.117 1.00 0.00 N ATOM 0 H GLN A 16 -16.320 -3.953 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.594 -5.139 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.182 -5.241 -1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.445 -5.059 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.156 -7.131 -0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.646 -7.060 0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.152 -8.760 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.537 -9.297 -2.817 1.00 0.00 H new ATOM 260 N ARG A 17 -13.520 -2.314 0.142 1.00 0.00 N ATOM 261 CA ARG A 17 -12.459 -1.319 0.242 1.00 0.00 C ATOM 262 C ARG A 17 -12.066 -1.077 1.698 1.00 0.00 C ATOM 263 O ARG A 17 -10.910 -0.781 1.996 1.00 0.00 O ATOM 264 CB ARG A 17 -12.903 -0.004 -0.403 1.00 0.00 C ATOM 265 CG ARG A 17 -11.751 0.934 -0.728 1.00 0.00 C ATOM 266 CD ARG A 17 -11.866 2.247 0.030 1.00 0.00 C ATOM 267 NE ARG A 17 -13.206 2.820 -0.067 1.00 0.00 N ATOM 268 CZ ARG A 17 -13.678 3.749 0.763 1.00 0.00 C ATOM 269 NH1 ARG A 17 -12.922 4.212 1.751 1.00 0.00 N ATOM 270 NH2 ARG A 17 -14.909 4.215 0.603 1.00 0.00 N ATOM 0 H ARG A 17 -14.383 -1.969 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.588 -1.703 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.450 -0.225 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.596 0.504 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.806 0.451 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.734 1.132 -1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.617 2.083 1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.139 2.957 -0.363 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.816 2.489 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.974 3.856 1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.289 4.923 2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.493 3.862 -0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.272 4.926 1.238 1.00 0.00 H new ATOM 284 N GLU A 18 -13.035 -1.203 2.597 1.00 0.00 N ATOM 285 CA GLU A 18 -12.788 -0.996 4.021 1.00 0.00 C ATOM 286 C GLU A 18 -11.862 -2.073 4.580 1.00 0.00 C ATOM 287 O GLU A 18 -10.963 -1.785 5.370 1.00 0.00 O ATOM 288 CB GLU A 18 -14.108 -0.994 4.794 1.00 0.00 C ATOM 289 CG GLU A 18 -14.022 -0.302 6.144 1.00 0.00 C ATOM 290 CD GLU A 18 -13.475 1.109 6.043 1.00 0.00 C ATOM 291 OE1 GLU A 18 -14.202 1.992 5.541 1.00 0.00 O ATOM 292 OE2 GLU A 18 -12.322 1.330 6.464 1.00 0.00 O ATOM 0 H GLU A 18 -13.998 -1.447 2.367 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.301 -0.028 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.872 -0.502 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.434 -2.024 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.013 -0.272 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.386 -0.887 6.808 1.00 0.00 H new ATOM 299 N GLU A 19 -12.089 -3.315 4.167 1.00 0.00 N ATOM 300 CA GLU A 19 -11.275 -4.434 4.628 1.00 0.00 C ATOM 301 C GLU A 19 -9.943 -4.488 3.886 1.00 0.00 C ATOM 302 O GLU A 19 -8.968 -5.051 4.385 1.00 0.00 O ATOM 303 CB GLU A 19 -12.032 -5.751 4.438 1.00 0.00 C ATOM 304 CG GLU A 19 -13.419 -5.748 5.060 1.00 0.00 C ATOM 305 CD GLU A 19 -14.137 -7.073 4.887 1.00 0.00 C ATOM 306 OE1 GLU A 19 -13.476 -8.126 4.995 1.00 0.00 O ATOM 307 OE2 GLU A 19 -15.363 -7.056 4.646 1.00 0.00 O ATOM 0 H GLU A 19 -12.829 -3.572 3.514 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.070 -4.287 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.121 -5.959 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.449 -6.562 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.336 -5.519 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.014 -4.954 4.608 1.00 0.00 H new ATOM 314 N MET A 20 -9.906 -3.906 2.692 1.00 0.00 N ATOM 315 CA MET A 20 -8.691 -3.891 1.884 1.00 0.00 C ATOM 316 C MET A 20 -7.647 -2.952 2.478 1.00 0.00 C ATOM 317 O MET A 20 -6.465 -3.289 2.548 1.00 0.00 O ATOM 318 CB MET A 20 -9.017 -3.473 0.449 1.00 0.00 C ATOM 319 CG MET A 20 -9.753 -4.541 -0.344 1.00 0.00 C ATOM 320 SD MET A 20 -8.694 -5.372 -1.545 1.00 0.00 S ATOM 321 CE MET A 20 -7.470 -6.111 -0.466 1.00 0.00 C ATOM 0 H MET A 20 -10.704 -3.438 2.262 1.00 0.00 H new ATOM 0 HA MET A 20 -8.277 -4.899 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.623 -2.567 0.472 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.090 -3.223 -0.067 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.164 -5.280 0.344 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.596 -4.085 -0.863 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.806 -6.747 -1.051 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.888 -5.325 0.016 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.970 -6.711 0.295 1.00 0.00 H new ATOM 331 N VAL A 21 -8.087 -1.771 2.903 1.00 0.00 N ATOM 332 CA VAL A 21 -7.180 -0.789 3.487 1.00 0.00 C ATOM 333 C VAL A 21 -6.663 -1.251 4.843 1.00 0.00 C ATOM 334 O VAL A 21 -5.470 -1.150 5.133 1.00 0.00 O ATOM 335 CB VAL A 21 -7.855 0.588 3.644 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.376 1.081 2.306 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.978 0.530 4.670 1.00 0.00 C ATOM 0 H VAL A 21 -9.061 -1.472 2.854 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.341 -0.692 2.798 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.107 1.294 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.849 2.054 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.547 1.171 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.106 0.372 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.438 1.514 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.728 -0.192 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.573 0.227 5.636 1.00 0.00 H new ATOM 347 N LYS A 22 -7.566 -1.759 5.673 1.00 0.00 N ATOM 348 CA LYS A 22 -7.195 -2.234 6.998 1.00 0.00 C ATOM 349 C LYS A 22 -6.176 -3.366 6.901 1.00 0.00 C ATOM 350 O LYS A 22 -5.193 -3.399 7.644 1.00 0.00 O ATOM 351 CB LYS A 22 -8.433 -2.708 7.760 1.00 0.00 C ATOM 352 CG LYS A 22 -9.387 -1.583 8.131 1.00 0.00 C ATOM 353 CD LYS A 22 -8.748 -0.611 9.109 1.00 0.00 C ATOM 354 CE LYS A 22 -8.210 0.620 8.400 1.00 0.00 C ATOM 355 NZ LYS A 22 -9.287 1.605 8.100 1.00 0.00 N ATOM 0 H LYS A 22 -8.557 -1.852 5.452 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.741 -1.405 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.966 -3.439 7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.116 -3.219 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.689 -1.049 7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.292 -2.002 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.482 -0.310 9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.937 -1.109 9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.449 1.093 9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.723 0.320 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.878 2.430 7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.001 1.163 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.735 1.911 8.987 1.00 0.00 H new ATOM 369 N LYS A 23 -6.418 -4.292 5.977 1.00 0.00 N ATOM 370 CA LYS A 23 -5.522 -5.425 5.776 1.00 0.00 C ATOM 371 C LYS A 23 -4.104 -4.951 5.479 1.00 0.00 C ATOM 372 O LYS A 23 -3.129 -5.618 5.827 1.00 0.00 O ATOM 373 CB LYS A 23 -6.028 -6.304 4.631 1.00 0.00 C ATOM 374 CG LYS A 23 -7.028 -7.361 5.071 1.00 0.00 C ATOM 375 CD LYS A 23 -7.176 -8.459 4.029 1.00 0.00 C ATOM 376 CE LYS A 23 -8.638 -8.777 3.751 1.00 0.00 C ATOM 377 NZ LYS A 23 -9.049 -8.346 2.386 1.00 0.00 N ATOM 0 H LYS A 23 -7.227 -4.279 5.356 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.505 -6.011 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.491 -5.670 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.178 -6.795 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.705 -7.797 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.997 -6.894 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.688 -8.151 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.667 -9.359 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.803 -9.849 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.265 -8.282 4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.051 -8.580 2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.915 -7.319 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.468 -8.838 1.677 1.00 0.00 H new ATOM 391 N CYS A 24 -3.995 -3.792 4.837 1.00 0.00 N ATOM 392 CA CYS A 24 -2.695 -3.228 4.496 1.00 0.00 C ATOM 393 C CYS A 24 -1.952 -2.789 5.752 1.00 0.00 C ATOM 394 O CYS A 24 -0.728 -2.880 5.824 1.00 0.00 O ATOM 395 CB CYS A 24 -2.864 -2.048 3.534 1.00 0.00 C ATOM 396 SG CYS A 24 -1.363 -1.067 3.276 1.00 0.00 S ATOM 0 H CYS A 24 -4.791 -3.226 4.543 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.104 -3.999 4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.205 -2.427 2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.649 -1.395 3.915 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.049 -1.077 2.014 1.00 0.00 H new ATOM 402 N LEU A 25 -2.700 -2.315 6.742 1.00 0.00 N ATOM 403 CA LEU A 25 -2.102 -1.870 7.994 1.00 0.00 C ATOM 404 C LEU A 25 -1.392 -3.027 8.685 1.00 0.00 C ATOM 405 O LEU A 25 -0.307 -2.859 9.247 1.00 0.00 O ATOM 406 CB LEU A 25 -3.169 -1.283 8.916 1.00 0.00 C ATOM 407 CG LEU A 25 -2.648 -0.270 9.938 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.549 0.954 9.987 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.536 -0.909 11.313 1.00 0.00 C ATOM 0 H LEU A 25 -3.716 -2.229 6.702 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.370 -1.095 7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.932 -0.801 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.656 -2.099 9.450 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.654 0.051 9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.161 1.662 10.720 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.575 1.426 9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.557 0.653 10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.164 -0.174 12.027 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.517 -1.260 11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.846 -1.752 11.267 1.00 0.00 H new ATOM 421 N GLY A 26 -2.007 -4.204 8.636 1.00 0.00 N ATOM 422 CA GLY A 26 -1.420 -5.376 9.261 1.00 0.00 C ATOM 423 C GLY A 26 -0.312 -5.991 8.426 1.00 0.00 C ATOM 424 O GLY A 26 0.741 -6.351 8.951 1.00 0.00 O ATOM 0 H GLY A 26 -2.902 -4.368 8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.023 -5.101 10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.198 -6.121 9.430 1.00 0.00 H new ATOM 428 N GLU A 27 -0.551 -6.116 7.124 1.00 0.00 N ATOM 429 CA GLU A 27 0.436 -6.696 6.218 1.00 0.00 C ATOM 430 C GLU A 27 1.726 -5.879 6.218 1.00 0.00 C ATOM 431 O GLU A 27 2.817 -6.426 6.382 1.00 0.00 O ATOM 432 CB GLU A 27 -0.130 -6.780 4.798 1.00 0.00 C ATOM 433 CG GLU A 27 -0.651 -8.161 4.432 1.00 0.00 C ATOM 434 CD GLU A 27 -2.164 -8.251 4.499 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.708 -8.271 5.622 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.802 -8.302 3.426 1.00 0.00 O ATOM 0 H GLU A 27 -1.418 -5.824 6.673 1.00 0.00 H new ATOM 0 HA GLU A 27 0.666 -7.702 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.939 -6.056 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.647 -6.494 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.320 -8.415 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.217 -8.899 5.106 1.00 0.00 H new ATOM 443 N LEU A 28 1.593 -4.572 6.031 1.00 0.00 N ATOM 444 CA LEU A 28 2.748 -3.682 6.007 1.00 0.00 C ATOM 445 C LEU A 28 3.529 -3.766 7.315 1.00 0.00 C ATOM 446 O LEU A 28 4.753 -3.645 7.325 1.00 0.00 O ATOM 447 CB LEU A 28 2.307 -2.240 5.753 1.00 0.00 C ATOM 448 CG LEU A 28 1.926 -1.923 4.304 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.646 -0.438 4.139 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.028 -2.366 3.353 1.00 0.00 C ATOM 0 H LEU A 28 0.697 -4.104 5.894 1.00 0.00 H new ATOM 0 HA LEU A 28 3.401 -4.001 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.453 -2.019 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.113 -1.571 6.055 1.00 0.00 H new ATOM 0 HG LEU A 28 1.018 -2.474 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.377 -0.231 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.823 -0.148 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.537 0.132 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.740 -2.133 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.952 -1.843 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.183 -3.441 3.451 1.00 0.00 H new ATOM 462 N THR A 29 2.815 -3.982 8.415 1.00 0.00 N ATOM 463 CA THR A 29 3.450 -4.090 9.724 1.00 0.00 C ATOM 464 C THR A 29 4.493 -5.204 9.725 1.00 0.00 C ATOM 465 O THR A 29 5.592 -5.037 10.251 1.00 0.00 O ATOM 466 CB THR A 29 2.400 -4.351 10.806 1.00 0.00 C ATOM 467 OG1 THR A 29 1.487 -3.271 10.889 1.00 0.00 O ATOM 468 CG2 THR A 29 2.992 -4.556 12.185 1.00 0.00 C ATOM 0 H THR A 29 1.800 -4.085 8.427 1.00 0.00 H new ATOM 0 HA THR A 29 3.950 -3.146 9.940 1.00 0.00 H new ATOM 0 HB THR A 29 1.901 -5.272 10.504 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.757 -3.410 10.251 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.191 -4.736 12.902 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.664 -5.414 12.169 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.548 -3.666 12.478 1.00 0.00 H new ATOM 476 N GLU A 30 4.138 -6.339 9.130 1.00 0.00 N ATOM 477 CA GLU A 30 5.042 -7.481 9.061 1.00 0.00 C ATOM 478 C GLU A 30 6.312 -7.126 8.293 1.00 0.00 C ATOM 479 O GLU A 30 7.413 -7.182 8.841 1.00 0.00 O ATOM 480 CB GLU A 30 4.345 -8.669 8.395 1.00 0.00 C ATOM 481 CG GLU A 30 3.575 -9.546 9.369 1.00 0.00 C ATOM 482 CD GLU A 30 4.250 -10.881 9.613 1.00 0.00 C ATOM 483 OE1 GLU A 30 4.908 -11.393 8.682 1.00 0.00 O ATOM 484 OE2 GLU A 30 4.122 -11.414 10.734 1.00 0.00 O ATOM 0 H GLU A 30 3.231 -6.492 8.689 1.00 0.00 H new ATOM 0 HA GLU A 30 5.320 -7.754 10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.659 -8.297 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.091 -9.277 7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.466 -9.020 10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.570 -9.717 8.982 1.00 0.00 H new ATOM 491 N VAL A 31 6.153 -6.764 7.023 1.00 0.00 N ATOM 492 CA VAL A 31 7.289 -6.401 6.180 1.00 0.00 C ATOM 493 C VAL A 31 8.187 -5.377 6.870 1.00 0.00 C ATOM 494 O VAL A 31 9.411 -5.436 6.757 1.00 0.00 O ATOM 495 CB VAL A 31 6.824 -5.836 4.823 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.817 -4.722 5.033 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.010 -5.346 4.001 1.00 0.00 C ATOM 0 H VAL A 31 5.248 -6.714 6.555 1.00 0.00 H new ATOM 0 HA VAL A 31 7.858 -7.314 6.007 1.00 0.00 H new ATOM 0 HB VAL A 31 6.340 -6.638 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.498 -4.333 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.952 -5.110 5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.276 -3.921 5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.655 -4.952 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.531 -4.560 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.694 -6.175 3.819 1.00 0.00 H new ATOM 507 N CYS A 32 7.571 -4.439 7.581 1.00 0.00 N ATOM 508 CA CYS A 32 8.319 -3.405 8.285 1.00 0.00 C ATOM 509 C CYS A 32 9.311 -4.022 9.268 1.00 0.00 C ATOM 510 O CYS A 32 10.513 -3.762 9.197 1.00 0.00 O ATOM 511 CB CYS A 32 7.362 -2.469 9.026 1.00 0.00 C ATOM 512 SG CYS A 32 6.692 -1.139 8.003 1.00 0.00 S ATOM 0 H CYS A 32 6.558 -4.374 7.685 1.00 0.00 H new ATOM 0 HA CYS A 32 8.879 -2.831 7.547 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.536 -3.055 9.428 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.885 -2.031 9.876 1.00 0.00 H new ATOM 0 HG CYS A 32 5.659 -1.576 7.345 1.00 0.00 H new ATOM 518 N LYS A 33 8.801 -4.841 10.182 1.00 0.00 N ATOM 519 CA LYS A 33 9.644 -5.498 11.177 1.00 0.00 C ATOM 520 C LYS A 33 10.674 -6.399 10.506 1.00 0.00 C ATOM 521 O LYS A 33 11.848 -6.399 10.878 1.00 0.00 O ATOM 522 CB LYS A 33 8.788 -6.319 12.143 1.00 0.00 C ATOM 523 CG LYS A 33 7.547 -5.593 12.631 1.00 0.00 C ATOM 524 CD LYS A 33 7.167 -6.022 14.039 1.00 0.00 C ATOM 525 CE LYS A 33 6.030 -5.180 14.592 1.00 0.00 C ATOM 526 NZ LYS A 33 6.116 -5.031 16.072 1.00 0.00 N ATOM 0 H LYS A 33 7.809 -5.066 10.255 1.00 0.00 H new ATOM 0 HA LYS A 33 10.170 -4.724 11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.487 -7.244 11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.395 -6.599 13.004 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.723 -4.517 12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.717 -5.792 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.874 -7.072 14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.035 -5.937 14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.049 -4.195 14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.077 -5.639 14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.322 -4.450 16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.072 -5.969 16.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.014 -4.570 16.323 1.00 0.00 H new ATOM 540 N SER A 34 10.226 -7.167 9.518 1.00 0.00 N ATOM 541 CA SER A 34 11.107 -8.078 8.794 1.00 0.00 C ATOM 542 C SER A 34 12.321 -7.343 8.237 1.00 0.00 C ATOM 543 O SER A 34 13.392 -7.926 8.073 1.00 0.00 O ATOM 544 CB SER A 34 10.344 -8.757 7.654 1.00 0.00 C ATOM 545 OG SER A 34 11.122 -9.779 7.056 1.00 0.00 O ATOM 0 H SER A 34 9.257 -7.177 9.200 1.00 0.00 H new ATOM 0 HA SER A 34 11.456 -8.835 9.496 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.415 -9.180 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.072 -8.016 6.902 1.00 0.00 H new ATOM 0 HG SER A 34 10.611 -10.198 6.332 1.00 0.00 H new ATOM 551 N LEU A 35 12.149 -6.056 7.951 1.00 0.00 N ATOM 552 CA LEU A 35 13.231 -5.240 7.415 1.00 0.00 C ATOM 553 C LEU A 35 14.131 -4.726 8.535 1.00 0.00 C ATOM 554 O LEU A 35 15.321 -4.488 8.329 1.00 0.00 O ATOM 555 CB LEU A 35 12.663 -4.061 6.621 1.00 0.00 C ATOM 556 CG LEU A 35 12.033 -4.429 5.274 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.511 -3.183 4.572 1.00 0.00 C ATOM 558 CD2 LEU A 35 13.043 -5.157 4.399 1.00 0.00 C ATOM 0 H LEU A 35 11.270 -5.556 8.082 1.00 0.00 H new ATOM 0 HA LEU A 35 13.828 -5.864 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.912 -3.560 7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.463 -3.342 6.446 1.00 0.00 H new ATOM 0 HG LEU A 35 11.191 -5.097 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.067 -3.463 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.757 -2.703 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.335 -2.490 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.581 -5.412 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.904 -4.512 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.368 -6.069 4.900 1.00 0.00 H new ATOM 570 N GLY A 36 13.554 -4.553 9.721 1.00 0.00 N ATOM 571 CA GLY A 36 14.316 -4.065 10.854 1.00 0.00 C ATOM 572 C GLY A 36 15.243 -5.116 11.436 1.00 0.00 C ATOM 573 O GLY A 36 16.207 -4.785 12.128 1.00 0.00 O ATOM 0 H GLY A 36 12.571 -4.743 9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.903 -3.200 10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.629 -3.724 11.628 1.00 0.00 H new ATOM 577 N LYS A 37 14.954 -6.384 11.162 1.00 0.00 N ATOM 578 CA LYS A 37 15.771 -7.480 11.669 1.00 0.00 C ATOM 579 C LYS A 37 16.931 -7.787 10.725 1.00 0.00 C ATOM 580 O LYS A 37 17.972 -8.287 11.151 1.00 0.00 O ATOM 581 CB LYS A 37 14.916 -8.733 11.869 1.00 0.00 C ATOM 582 CG LYS A 37 14.236 -9.216 10.598 1.00 0.00 C ATOM 583 CD LYS A 37 13.434 -10.484 10.844 1.00 0.00 C ATOM 584 CE LYS A 37 14.216 -11.724 10.438 1.00 0.00 C ATOM 585 NZ LYS A 37 15.161 -12.157 11.502 1.00 0.00 N ATOM 0 H LYS A 37 14.161 -6.678 10.592 1.00 0.00 H new ATOM 0 HA LYS A 37 16.184 -7.172 12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.545 -9.533 12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.155 -8.527 12.622 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.577 -8.436 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.987 -9.402 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.168 -10.549 11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.501 -10.441 10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.522 -12.535 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.770 -11.520 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.471 -13.132 11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.988 -11.527 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.686 -12.115 12.426 1.00 0.00 H new ATOM 599 N VAL A 38 16.746 -7.487 9.443 1.00 0.00 N ATOM 600 CA VAL A 38 17.780 -7.735 8.447 1.00 0.00 C ATOM 601 C VAL A 38 18.697 -6.527 8.284 1.00 0.00 C ATOM 602 O VAL A 38 19.873 -6.668 7.945 1.00 0.00 O ATOM 603 CB VAL A 38 17.172 -8.091 7.080 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.505 -9.457 7.129 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.183 -7.024 6.649 1.00 0.00 C ATOM 0 H VAL A 38 15.891 -7.073 9.071 1.00 0.00 H new ATOM 0 HA VAL A 38 18.364 -8.582 8.809 1.00 0.00 H new ATOM 0 HB VAL A 38 17.975 -8.133 6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.081 -9.690 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.244 -10.213 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.711 -9.448 7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.761 -7.289 5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.383 -6.951 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.694 -6.064 6.572 1.00 0.00 H new ATOM 615 N PHE A 39 18.153 -5.339 8.526 1.00 0.00 N ATOM 616 CA PHE A 39 18.924 -4.107 8.403 1.00 0.00 C ATOM 617 C PHE A 39 19.472 -3.667 9.759 1.00 0.00 C ATOM 618 O PHE A 39 20.500 -2.995 9.835 1.00 0.00 O ATOM 619 CB PHE A 39 18.061 -2.996 7.805 1.00 0.00 C ATOM 620 CG PHE A 39 17.973 -3.047 6.305 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.927 -2.420 5.521 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.937 -3.725 5.682 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.849 -2.466 4.142 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.854 -3.774 4.303 1.00 0.00 C ATOM 625 CZ PHE A 39 17.811 -3.145 3.532 1.00 0.00 C ATOM 0 H PHE A 39 17.182 -5.203 8.808 1.00 0.00 H new ATOM 0 HA PHE A 39 19.765 -4.302 7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.056 -3.063 8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.467 -2.030 8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.741 -1.889 5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 39 16.187 -4.220 6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.598 -1.972 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.041 -4.304 3.829 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.749 -3.183 2.454 1.00 0.00 H new ATOM 635 N GLY A 40 18.779 -4.051 10.827 1.00 0.00 N ATOM 636 CA GLY A 40 19.212 -3.686 12.162 1.00 0.00 C ATOM 637 C GLY A 40 18.549 -2.420 12.667 1.00 0.00 C ATOM 638 O GLY A 40 19.109 -1.706 13.499 1.00 0.00 O ATOM 0 H GLY A 40 17.926 -4.608 10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.992 -4.505 12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.294 -3.550 12.164 1.00 0.00 H new ATOM 642 N VAL A 41 17.349 -2.141 12.164 1.00 0.00 N ATOM 643 CA VAL A 41 16.608 -0.953 12.572 1.00 0.00 C ATOM 644 C VAL A 41 15.314 -1.332 13.285 1.00 0.00 C ATOM 645 O VAL A 41 14.777 -2.421 13.080 1.00 0.00 O ATOM 646 CB VAL A 41 16.274 -0.055 11.366 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.531 0.611 10.830 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.580 -0.857 10.277 1.00 0.00 C ATOM 0 H VAL A 41 16.871 -2.721 11.475 1.00 0.00 H new ATOM 0 HA VAL A 41 17.250 -0.400 13.258 1.00 0.00 H new ATOM 0 HB VAL A 41 15.591 0.727 11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.274 1.241 9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.980 1.223 11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.241 -0.153 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.352 -0.205 9.434 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.234 -1.663 9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.655 -1.279 10.669 1.00 0.00 H new ATOM 658 N HIS A 42 14.820 -0.428 14.124 1.00 0.00 N ATOM 659 CA HIS A 42 13.589 -0.669 14.868 1.00 0.00 C ATOM 660 C HIS A 42 12.379 -0.672 13.939 1.00 0.00 C ATOM 661 O HIS A 42 12.446 -0.175 12.815 1.00 0.00 O ATOM 662 CB HIS A 42 13.413 0.391 15.959 1.00 0.00 C ATOM 663 CG HIS A 42 13.282 -0.182 17.335 1.00 0.00 C ATOM 664 ND1 HIS A 42 12.077 -0.587 17.870 1.00 0.00 N ATOM 665 CD2 HIS A 42 14.214 -0.420 18.288 1.00 0.00 C ATOM 666 CE1 HIS A 42 12.274 -1.045 19.095 1.00 0.00 C ATOM 667 NE2 HIS A 42 13.562 -0.957 19.371 1.00 0.00 N ATOM 0 H HIS A 42 15.253 0.478 14.306 1.00 0.00 H new ATOM 0 HA HIS A 42 13.663 -1.651 15.335 1.00 0.00 H new ATOM 0 HB2 HIS A 42 14.266 1.069 15.936 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.527 0.986 15.736 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.273 -0.224 18.211 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.511 -1.426 19.757 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.002 -1.242 20.246 1.00 0.00 H new ATOM 676 N TYR A 43 11.275 -1.235 14.417 1.00 0.00 N ATOM 677 CA TYR A 43 10.046 -1.305 13.633 1.00 0.00 C ATOM 678 C TYR A 43 9.608 0.089 13.185 1.00 0.00 C ATOM 679 O TYR A 43 9.429 0.341 11.993 1.00 0.00 O ATOM 680 CB TYR A 43 8.935 -1.974 14.452 1.00 0.00 C ATOM 681 CG TYR A 43 7.546 -1.792 13.876 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.310 -1.959 12.517 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.473 -1.454 14.692 1.00 0.00 C ATOM 684 CE1 TYR A 43 6.043 -1.791 11.988 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.204 -1.286 14.170 1.00 0.00 C ATOM 686 CZ TYR A 43 4.995 -1.455 12.818 1.00 0.00 C ATOM 687 OH TYR A 43 3.734 -1.288 12.294 1.00 0.00 O ATOM 0 H TYR A 43 11.205 -1.651 15.346 1.00 0.00 H new ATOM 0 HA TYR A 43 10.239 -1.904 12.743 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.148 -3.040 14.529 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.952 -1.571 15.465 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.128 -2.224 11.864 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.633 -1.320 15.752 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.876 -1.923 10.929 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.381 -1.024 14.818 1.00 0.00 H new ATOM 0 HH TYR A 43 3.110 -1.054 13.012 1.00 0.00 H new ATOM 697 N PHE A 44 9.438 0.990 14.147 1.00 0.00 N ATOM 698 CA PHE A 44 9.022 2.356 13.850 1.00 0.00 C ATOM 699 C PHE A 44 10.017 3.041 12.917 1.00 0.00 C ATOM 700 O PHE A 44 9.665 3.983 12.205 1.00 0.00 O ATOM 701 CB PHE A 44 8.880 3.159 15.145 1.00 0.00 C ATOM 702 CG PHE A 44 7.468 3.237 15.648 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.509 3.955 14.951 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.100 2.595 16.820 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.208 4.029 15.413 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.801 2.666 17.286 1.00 0.00 C ATOM 707 CZ PHE A 44 4.854 3.384 16.581 1.00 0.00 C ATOM 0 H PHE A 44 9.582 0.799 15.139 1.00 0.00 H new ATOM 0 HA PHE A 44 8.055 2.314 13.348 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.507 2.708 15.914 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.255 4.169 14.980 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.781 4.462 14.037 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.837 2.033 17.375 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.469 4.591 14.861 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.526 2.161 18.200 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.838 3.440 16.943 1.00 0.00 H new ATOM 717 N ASN A 45 11.259 2.565 12.925 1.00 0.00 N ATOM 718 CA ASN A 45 12.301 3.136 12.077 1.00 0.00 C ATOM 719 C ASN A 45 11.899 3.085 10.606 1.00 0.00 C ATOM 720 O ASN A 45 12.292 3.943 9.816 1.00 0.00 O ATOM 721 CB ASN A 45 13.620 2.387 12.283 1.00 0.00 C ATOM 722 CG ASN A 45 14.826 3.230 11.922 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.513 2.964 10.937 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.092 4.255 12.726 1.00 0.00 N ATOM 0 H ASN A 45 11.568 1.787 13.508 1.00 0.00 H new ATOM 0 HA ASN A 45 12.433 4.180 12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.698 2.074 13.324 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.619 1.481 11.677 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.893 4.857 12.536 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.495 4.439 13.532 1.00 0.00 H new ATOM 731 N ILE A 46 11.113 2.075 10.247 1.00 0.00 N ATOM 732 CA ILE A 46 10.658 1.918 8.870 1.00 0.00 C ATOM 733 C ILE A 46 9.604 2.961 8.516 1.00 0.00 C ATOM 734 O ILE A 46 9.842 3.842 7.692 1.00 0.00 O ATOM 735 CB ILE A 46 10.072 0.513 8.626 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.000 -0.561 9.197 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.843 0.286 7.139 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.404 -0.505 8.636 1.00 0.00 C ATOM 0 H ILE A 46 10.779 1.355 10.888 1.00 0.00 H new ATOM 0 HA ILE A 46 11.532 2.056 8.233 1.00 0.00 H new ATOM 0 HB ILE A 46 9.112 0.444 9.138 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.046 -0.452 10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.575 -1.544 8.993 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.429 -0.710 6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.145 1.033 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.791 0.373 6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.007 -1.294 9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.370 -0.644 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.848 0.464 8.863 1.00 0.00 H new ATOM 750 N PHE A 47 8.439 2.855 9.149 1.00 0.00 N ATOM 751 CA PHE A 47 7.349 3.790 8.901 1.00 0.00 C ATOM 752 C PHE A 47 6.644 4.161 10.203 1.00 0.00 C ATOM 753 O PHE A 47 6.836 3.514 11.232 1.00 0.00 O ATOM 754 CB PHE A 47 6.338 3.185 7.920 1.00 0.00 C ATOM 755 CG PHE A 47 6.774 3.213 6.478 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.697 4.145 6.024 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.253 2.303 5.572 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.088 4.167 4.699 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.642 2.319 4.247 1.00 0.00 C ATOM 760 CZ PHE A 47 7.560 3.253 3.809 1.00 0.00 C ATOM 0 H PHE A 47 8.227 2.132 9.836 1.00 0.00 H new ATOM 0 HA PHE A 47 7.774 4.694 8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.145 2.152 8.208 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.395 3.723 8.012 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.115 4.862 6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.533 1.571 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.806 4.899 4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.228 1.601 3.554 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.864 3.268 2.773 1.00 0.00 H new ATOM 770 N ASN A 48 5.828 5.209 10.147 1.00 0.00 N ATOM 771 CA ASN A 48 5.093 5.670 11.320 1.00 0.00 C ATOM 772 C ASN A 48 3.604 5.371 11.177 1.00 0.00 C ATOM 773 O ASN A 48 3.126 5.059 10.087 1.00 0.00 O ATOM 774 CB ASN A 48 5.308 7.171 11.523 1.00 0.00 C ATOM 775 CG ASN A 48 6.496 7.467 12.418 1.00 0.00 C ATOM 776 OD1 ASN A 48 7.080 6.563 13.014 1.00 0.00 O ATOM 777 ND2 ASN A 48 6.860 8.741 12.515 1.00 0.00 N ATOM 0 H ASN A 48 5.659 5.755 9.302 1.00 0.00 H new ATOM 0 HA ASN A 48 5.471 5.136 12.192 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.458 7.648 10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.410 7.609 11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.653 9.002 13.102 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.347 9.458 12.003 1.00 0.00 H new ATOM 784 N THR A 49 2.876 5.466 12.286 1.00 0.00 N ATOM 785 CA THR A 49 1.438 5.203 12.287 1.00 0.00 C ATOM 786 C THR A 49 0.738 5.972 11.170 1.00 0.00 C ATOM 787 O THR A 49 -0.155 5.445 10.508 1.00 0.00 O ATOM 788 CB THR A 49 0.834 5.582 13.640 1.00 0.00 C ATOM 789 OG1 THR A 49 1.737 5.294 14.692 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.463 4.861 13.938 1.00 0.00 C ATOM 0 H THR A 49 3.257 5.723 13.196 1.00 0.00 H new ATOM 0 HA THR A 49 1.289 4.137 12.113 1.00 0.00 H new ATOM 0 HB THR A 49 0.631 6.651 13.576 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.296 6.080 14.868 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.838 5.175 14.912 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.198 5.103 13.171 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.288 3.785 13.946 1.00 0.00 H new ATOM 798 N VAL A 50 1.152 7.219 10.965 1.00 0.00 N ATOM 799 CA VAL A 50 0.565 8.058 9.925 1.00 0.00 C ATOM 800 C VAL A 50 0.882 7.513 8.536 1.00 0.00 C ATOM 801 O VAL A 50 0.117 7.710 7.593 1.00 0.00 O ATOM 802 CB VAL A 50 1.070 9.507 10.019 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.406 10.231 11.180 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.580 9.531 10.161 1.00 0.00 C ATOM 0 H VAL A 50 1.891 7.670 11.504 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.514 8.046 10.082 1.00 0.00 H new ATOM 0 HB VAL A 50 0.804 10.028 9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.776 11.255 11.230 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.674 10.243 11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.639 9.715 12.112 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.923 10.564 10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.869 8.995 11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.035 9.052 9.294 1.00 0.00 H new ATOM 814 N THR A 51 2.015 6.830 8.419 1.00 0.00 N ATOM 815 CA THR A 51 2.436 6.258 7.145 1.00 0.00 C ATOM 816 C THR A 51 1.585 5.044 6.781 1.00 0.00 C ATOM 817 O THR A 51 0.980 4.997 5.709 1.00 0.00 O ATOM 818 CB THR A 51 3.912 5.858 7.209 1.00 0.00 C ATOM 819 OG1 THR A 51 4.724 6.988 7.471 1.00 0.00 O ATOM 820 CG2 THR A 51 4.417 5.216 5.934 1.00 0.00 C ATOM 0 H THR A 51 2.659 6.659 9.191 1.00 0.00 H new ATOM 0 HA THR A 51 2.301 7.016 6.373 1.00 0.00 H new ATOM 0 HB THR A 51 3.978 5.126 8.014 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.282 7.794 7.132 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.470 4.958 6.049 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.842 4.313 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.303 5.915 5.105 1.00 0.00 H new ATOM 828 N LEU A 52 1.545 4.063 7.678 1.00 0.00 N ATOM 829 CA LEU A 52 0.772 2.848 7.448 1.00 0.00 C ATOM 830 C LEU A 52 -0.685 3.175 7.140 1.00 0.00 C ATOM 831 O LEU A 52 -1.248 2.678 6.166 1.00 0.00 O ATOM 832 CB LEU A 52 0.854 1.930 8.670 1.00 0.00 C ATOM 833 CG LEU A 52 2.262 1.450 9.026 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.266 0.774 10.388 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.788 0.503 7.958 1.00 0.00 C ATOM 0 H LEU A 52 2.039 4.086 8.570 1.00 0.00 H new ATOM 0 HA LEU A 52 1.198 2.336 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.438 2.456 9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.223 1.059 8.494 1.00 0.00 H new ATOM 0 HG LEU A 52 2.921 2.317 9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.276 0.439 10.625 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.931 1.482 11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.594 -0.084 10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.791 0.171 8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.128 -0.361 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.822 1.019 6.999 1.00 0.00 H new ATOM 847 N LYS A 53 -1.290 4.016 7.972 1.00 0.00 N ATOM 848 CA LYS A 53 -2.682 4.409 7.779 1.00 0.00 C ATOM 849 C LYS A 53 -2.879 5.042 6.406 1.00 0.00 C ATOM 850 O LYS A 53 -3.959 4.959 5.820 1.00 0.00 O ATOM 851 CB LYS A 53 -3.119 5.383 8.876 1.00 0.00 C ATOM 852 CG LYS A 53 -2.419 6.731 8.809 1.00 0.00 C ATOM 853 CD LYS A 53 -3.007 7.712 9.810 1.00 0.00 C ATOM 854 CE LYS A 53 -2.668 7.318 11.239 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.616 6.301 11.775 1.00 0.00 N ATOM 0 H LYS A 53 -0.840 4.438 8.784 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.300 3.513 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.195 5.538 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.926 4.931 9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.355 6.600 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.508 7.139 7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.626 8.713 9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.090 7.752 9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.653 6.923 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.688 8.204 11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.994 6.626 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.399 6.168 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.118 5.398 11.908 1.00 0.00 H new ATOM 869 N LYS A 54 -1.826 5.675 5.895 1.00 0.00 N ATOM 870 CA LYS A 54 -1.880 6.320 4.589 1.00 0.00 C ATOM 871 C LYS A 54 -1.866 5.281 3.473 1.00 0.00 C ATOM 872 O LYS A 54 -2.796 5.206 2.670 1.00 0.00 O ATOM 873 CB LYS A 54 -0.702 7.284 4.428 1.00 0.00 C ATOM 874 CG LYS A 54 -1.111 8.668 3.950 1.00 0.00 C ATOM 875 CD LYS A 54 -1.716 9.492 5.077 1.00 0.00 C ATOM 876 CE LYS A 54 -1.220 10.928 5.047 1.00 0.00 C ATOM 877 NZ LYS A 54 -2.298 11.895 5.391 1.00 0.00 N ATOM 0 H LYS A 54 -0.925 5.754 6.367 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.811 6.884 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.185 7.376 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.010 6.860 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.241 9.186 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.832 8.575 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.803 9.480 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.464 9.039 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.393 11.041 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.830 11.157 4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.919 12.863 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.076 11.805 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.653 11.693 6.348 1.00 0.00 H new ATOM 891 N LEU A 55 -0.809 4.475 3.432 1.00 0.00 N ATOM 892 CA LEU A 55 -0.679 3.436 2.418 1.00 0.00 C ATOM 893 C LEU A 55 -1.859 2.470 2.456 1.00 0.00 C ATOM 894 O LEU A 55 -2.144 1.789 1.471 1.00 0.00 O ATOM 895 CB LEU A 55 0.634 2.668 2.599 1.00 0.00 C ATOM 896 CG LEU A 55 1.838 3.273 1.870 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.698 4.108 2.806 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.671 2.179 1.222 1.00 0.00 C ATOM 0 H LEU A 55 -0.031 4.522 4.090 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.673 3.926 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.862 2.612 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.492 1.645 2.249 1.00 0.00 H new ATOM 0 HG LEU A 55 1.455 3.934 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.542 4.521 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.102 4.922 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.067 3.481 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.522 2.626 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.030 1.492 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.059 1.633 0.504 1.00 0.00 H new ATOM 910 N ALA A 56 -2.545 2.414 3.593 1.00 0.00 N ATOM 911 CA ALA A 56 -3.692 1.530 3.742 1.00 0.00 C ATOM 912 C ALA A 56 -4.940 2.141 3.110 1.00 0.00 C ATOM 913 O ALA A 56 -5.642 1.486 2.340 1.00 0.00 O ATOM 914 CB ALA A 56 -3.938 1.225 5.211 1.00 0.00 C ATOM 0 H ALA A 56 -2.327 2.969 4.421 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.471 0.598 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.799 0.563 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.058 0.740 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.133 2.153 5.748 1.00 0.00 H new ATOM 920 N GLU A 57 -5.208 3.400 3.437 1.00 0.00 N ATOM 921 CA GLU A 57 -6.371 4.102 2.902 1.00 0.00 C ATOM 922 C GLU A 57 -6.378 4.065 1.377 1.00 0.00 C ATOM 923 O GLU A 57 -7.401 3.773 0.758 1.00 0.00 O ATOM 924 CB GLU A 57 -6.387 5.552 3.389 1.00 0.00 C ATOM 925 CG GLU A 57 -6.435 5.687 4.902 1.00 0.00 C ATOM 926 CD GLU A 57 -7.749 6.257 5.397 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.992 7.463 5.181 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.535 5.498 6.002 1.00 0.00 O ATOM 0 H GLU A 57 -4.635 3.957 4.071 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.266 3.595 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.499 6.061 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.250 6.061 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.274 4.709 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.618 6.329 5.231 1.00 0.00 H new ATOM 935 N SER A 58 -5.231 4.365 0.776 1.00 0.00 N ATOM 936 CA SER A 58 -5.106 4.367 -0.677 1.00 0.00 C ATOM 937 C SER A 58 -5.101 2.943 -1.225 1.00 0.00 C ATOM 938 O SER A 58 -5.821 2.629 -2.172 1.00 0.00 O ATOM 939 CB SER A 58 -3.826 5.092 -1.099 1.00 0.00 C ATOM 940 OG SER A 58 -3.966 5.666 -2.386 1.00 0.00 O ATOM 0 H SER A 58 -4.375 4.610 1.273 1.00 0.00 H new ATOM 0 HA SER A 58 -5.967 4.893 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.589 5.871 -0.374 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.991 4.392 -1.099 1.00 0.00 H new ATOM 0 HG SER A 58 -3.552 5.079 -3.053 1.00 0.00 H new ATOM 946 N LEU A 59 -4.286 2.085 -0.619 1.00 0.00 N ATOM 947 CA LEU A 59 -4.187 0.692 -1.045 1.00 0.00 C ATOM 948 C LEU A 59 -3.628 0.595 -2.465 1.00 0.00 C ATOM 949 O LEU A 59 -4.200 -0.072 -3.328 1.00 0.00 O ATOM 950 CB LEU A 59 -5.565 0.013 -0.958 1.00 0.00 C ATOM 951 CG LEU A 59 -5.731 -1.065 0.131 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.843 -2.444 -0.496 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.586 -1.038 1.135 1.00 0.00 C ATOM 0 H LEU A 59 -3.685 2.329 0.168 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.499 0.175 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.316 0.785 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.783 -0.441 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.652 -0.842 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.960 -3.192 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.709 -2.474 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.941 -2.657 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.742 -1.813 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.644 -1.218 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.552 -0.063 1.622 1.00 0.00 H new ATOM 965 N SER A 60 -2.503 1.264 -2.695 1.00 0.00 N ATOM 966 CA SER A 60 -1.858 1.255 -4.004 1.00 0.00 C ATOM 967 C SER A 60 -0.342 1.143 -3.856 1.00 0.00 C ATOM 968 O SER A 60 0.234 1.659 -2.900 1.00 0.00 O ATOM 969 CB SER A 60 -2.214 2.523 -4.780 1.00 0.00 C ATOM 970 OG SER A 60 -2.348 3.634 -3.910 1.00 0.00 O ATOM 0 H SER A 60 -2.018 1.820 -1.991 1.00 0.00 H new ATOM 0 HA SER A 60 -2.219 0.388 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.441 2.729 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.145 2.370 -5.325 1.00 0.00 H new ATOM 0 HG SER A 60 -2.431 4.455 -4.438 1.00 0.00 H new ATOM 976 N SER A 61 0.297 0.463 -4.804 1.00 0.00 N ATOM 977 CA SER A 61 1.745 0.287 -4.765 1.00 0.00 C ATOM 978 C SER A 61 2.439 1.209 -5.764 1.00 0.00 C ATOM 979 O SER A 61 2.757 0.806 -6.883 1.00 0.00 O ATOM 980 CB SER A 61 2.111 -1.171 -5.059 1.00 0.00 C ATOM 981 OG SER A 61 1.021 -1.862 -5.644 1.00 0.00 O ATOM 0 H SER A 61 -0.162 0.027 -5.604 1.00 0.00 H new ATOM 0 HA SER A 61 2.088 0.548 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.970 -1.206 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.407 -1.668 -4.135 1.00 0.00 H new ATOM 0 HG SER A 61 1.222 -2.054 -6.584 1.00 0.00 H new ATOM 987 N ASP A 62 2.680 2.448 -5.345 1.00 0.00 N ATOM 988 CA ASP A 62 3.347 3.431 -6.193 1.00 0.00 C ATOM 989 C ASP A 62 4.559 4.019 -5.475 1.00 0.00 C ATOM 990 O ASP A 62 4.624 4.005 -4.250 1.00 0.00 O ATOM 991 CB ASP A 62 2.375 4.544 -6.583 1.00 0.00 C ATOM 992 CG ASP A 62 1.367 4.095 -7.623 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.791 3.555 -8.666 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.153 4.281 -7.391 1.00 0.00 O ATOM 0 H ASP A 62 2.423 2.796 -4.421 1.00 0.00 H new ATOM 0 HA ASP A 62 3.687 2.930 -7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.846 4.889 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.937 5.394 -6.969 1.00 0.00 H new ATOM 999 N PRO A 63 5.544 4.541 -6.224 1.00 0.00 N ATOM 1000 CA PRO A 63 6.750 5.127 -5.645 1.00 0.00 C ATOM 1001 C PRO A 63 6.536 6.566 -5.179 1.00 0.00 C ATOM 1002 O PRO A 63 6.843 6.910 -4.038 1.00 0.00 O ATOM 1003 CB PRO A 63 7.768 5.086 -6.797 1.00 0.00 C ATOM 1004 CG PRO A 63 7.048 4.509 -7.980 1.00 0.00 C ATOM 1005 CD PRO A 63 5.577 4.599 -7.686 1.00 0.00 C ATOM 0 HA PRO A 63 7.071 4.584 -4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.142 6.085 -7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.630 4.475 -6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.294 5.060 -8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.346 3.473 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.143 5.524 -8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.022 3.777 -8.138 1.00 0.00 H new ATOM 1013 N GLU A 64 6.015 7.402 -6.072 1.00 0.00 N ATOM 1014 CA GLU A 64 5.770 8.806 -5.758 1.00 0.00 C ATOM 1015 C GLU A 64 4.628 8.964 -4.756 1.00 0.00 C ATOM 1016 O GLU A 64 4.701 9.789 -3.845 1.00 0.00 O ATOM 1017 CB GLU A 64 5.454 9.588 -7.035 1.00 0.00 C ATOM 1018 CG GLU A 64 4.320 8.987 -7.851 1.00 0.00 C ATOM 1019 CD GLU A 64 3.875 9.891 -8.983 1.00 0.00 C ATOM 1020 OE1 GLU A 64 4.687 10.730 -9.427 1.00 0.00 O ATOM 1021 OE2 GLU A 64 2.713 9.763 -9.425 1.00 0.00 O ATOM 0 H GLU A 64 5.754 7.131 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 64 6.676 9.207 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.196 10.613 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.350 9.635 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.640 8.029 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.472 8.787 -7.196 1.00 0.00 H new ATOM 1028 N VAL A 65 3.573 8.173 -4.930 1.00 0.00 N ATOM 1029 CA VAL A 65 2.418 8.234 -4.041 1.00 0.00 C ATOM 1030 C VAL A 65 2.828 8.056 -2.583 1.00 0.00 C ATOM 1031 O VAL A 65 2.145 8.525 -1.673 1.00 0.00 O ATOM 1032 CB VAL A 65 1.374 7.156 -4.395 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.125 7.317 -3.540 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.022 7.215 -5.874 1.00 0.00 C ATOM 0 H VAL A 65 3.494 7.483 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 65 1.976 9.221 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 65 1.808 6.178 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.599 6.547 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.390 7.219 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.311 8.301 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.284 6.446 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.610 8.196 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.920 7.045 -6.469 1.00 0.00 H new ATOM 1044 N LEU A 66 3.944 7.369 -2.368 1.00 0.00 N ATOM 1045 CA LEU A 66 4.439 7.121 -1.020 1.00 0.00 C ATOM 1046 C LEU A 66 5.355 8.247 -0.549 1.00 0.00 C ATOM 1047 O LEU A 66 5.501 8.473 0.652 1.00 0.00 O ATOM 1048 CB LEU A 66 5.178 5.783 -0.974 1.00 0.00 C ATOM 1049 CG LEU A 66 4.312 4.558 -1.280 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.014 3.278 -0.855 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.962 4.674 -0.594 1.00 0.00 C ATOM 0 H LEU A 66 4.523 6.974 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 66 3.583 7.083 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.002 5.815 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.618 5.661 0.016 1.00 0.00 H new ATOM 0 HG LEU A 66 4.152 4.518 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.379 2.422 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.957 3.184 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.210 3.309 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.361 3.794 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.107 4.744 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.449 5.567 -0.950 1.00 0.00 H new ATOM 1063 N LEU A 67 5.965 8.950 -1.495 1.00 0.00 N ATOM 1064 CA LEU A 67 6.862 10.052 -1.165 1.00 0.00 C ATOM 1065 C LEU A 67 6.105 11.189 -0.489 1.00 0.00 C ATOM 1066 O LEU A 67 6.617 11.833 0.428 1.00 0.00 O ATOM 1067 CB LEU A 67 7.556 10.567 -2.429 1.00 0.00 C ATOM 1068 CG LEU A 67 8.945 11.166 -2.206 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.904 12.226 -1.116 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.945 10.075 -1.855 1.00 0.00 C ATOM 0 H LEU A 67 5.856 8.778 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 67 7.614 9.678 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.641 9.744 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.921 11.323 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 67 9.266 11.642 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.902 12.640 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.220 13.022 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.560 11.777 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.928 10.519 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.627 9.570 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.997 9.353 -2.670 1.00 0.00 H new ATOM 1082 N GLN A 68 4.881 11.432 -0.947 1.00 0.00 N ATOM 1083 CA GLN A 68 4.049 12.495 -0.388 1.00 0.00 C ATOM 1084 C GLN A 68 3.481 12.102 0.975 1.00 0.00 C ATOM 1085 O GLN A 68 3.016 12.958 1.730 1.00 0.00 O ATOM 1086 CB GLN A 68 2.907 12.830 -1.349 1.00 0.00 C ATOM 1087 CG GLN A 68 3.375 13.400 -2.678 1.00 0.00 C ATOM 1088 CD GLN A 68 2.602 14.640 -3.085 1.00 0.00 C ATOM 1089 OE1 GLN A 68 1.857 14.625 -4.066 1.00 0.00 O ATOM 1090 NE2 GLN A 68 2.774 15.719 -2.332 1.00 0.00 N ATOM 0 H GLN A 68 4.442 10.908 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 68 4.679 13.374 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.324 11.928 -1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.240 13.547 -0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.436 13.643 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.270 12.640 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.401 15.685 -1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.279 16.582 -2.557 1.00 0.00 H new ATOM 1099 N ILE A 69 3.516 10.810 1.286 1.00 0.00 N ATOM 1100 CA ILE A 69 2.999 10.317 2.560 1.00 0.00 C ATOM 1101 C ILE A 69 3.800 10.876 3.732 1.00 0.00 C ATOM 1102 O ILE A 69 4.990 11.164 3.602 1.00 0.00 O ATOM 1103 CB ILE A 69 3.024 8.777 2.619 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.311 8.187 1.401 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.383 8.280 3.906 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.823 8.455 1.376 1.00 0.00 C ATOM 0 H ILE A 69 3.896 10.086 0.676 1.00 0.00 H new ATOM 0 HA ILE A 69 1.966 10.658 2.636 1.00 0.00 H new ATOM 0 HB ILE A 69 4.063 8.447 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.760 8.596 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.477 7.110 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.410 7.191 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.931 8.675 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.348 8.618 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.387 8.006 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.360 8.022 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.647 9.531 1.364 1.00 0.00 H new ATOM 1118 N ASP A 70 3.138 11.030 4.874 1.00 0.00 N ATOM 1119 CA ASP A 70 3.785 11.556 6.070 1.00 0.00 C ATOM 1120 C ASP A 70 4.729 10.523 6.679 1.00 0.00 C ATOM 1121 O ASP A 70 4.335 9.386 6.942 1.00 0.00 O ATOM 1122 CB ASP A 70 2.735 11.974 7.101 1.00 0.00 C ATOM 1123 CG ASP A 70 3.312 12.870 8.181 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.203 13.685 7.864 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.871 12.756 9.344 1.00 0.00 O ATOM 0 H ASP A 70 2.152 10.798 4.996 1.00 0.00 H new ATOM 0 HA ASP A 70 4.370 12.429 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.921 12.495 6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.307 11.084 7.561 1.00 0.00 H new ATOM 1130 N GLY A 71 5.975 10.927 6.904 1.00 0.00 N ATOM 1131 CA GLY A 71 6.955 10.025 7.480 1.00 0.00 C ATOM 1132 C GLY A 71 7.808 9.343 6.428 1.00 0.00 C ATOM 1133 O GLY A 71 8.974 9.030 6.673 1.00 0.00 O ATOM 0 H GLY A 71 6.324 11.863 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.600 10.581 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.442 9.268 8.074 1.00 0.00 H new ATOM 1137 N VAL A 72 7.227 9.113 5.257 1.00 0.00 N ATOM 1138 CA VAL A 72 7.940 8.465 4.164 1.00 0.00 C ATOM 1139 C VAL A 72 8.849 9.452 3.440 1.00 0.00 C ATOM 1140 O VAL A 72 8.506 10.623 3.278 1.00 0.00 O ATOM 1141 CB VAL A 72 6.964 7.843 3.147 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.710 6.976 2.145 1.00 0.00 C ATOM 1143 CG2 VAL A 72 5.888 7.040 3.861 1.00 0.00 C ATOM 0 H VAL A 72 6.263 9.366 5.040 1.00 0.00 H new ATOM 0 HA VAL A 72 8.545 7.674 4.606 1.00 0.00 H new ATOM 0 HB VAL A 72 6.479 8.651 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.001 6.547 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.437 7.585 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.227 6.174 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.208 6.609 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.353 6.241 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.330 7.694 4.531 1.00 0.00 H new ATOM 1153 N THR A 73 10.010 8.973 3.005 1.00 0.00 N ATOM 1154 CA THR A 73 10.967 9.816 2.298 1.00 0.00 C ATOM 1155 C THR A 73 11.567 9.079 1.105 1.00 0.00 C ATOM 1156 O THR A 73 11.195 7.942 0.814 1.00 0.00 O ATOM 1157 CB THR A 73 12.081 10.262 3.246 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.335 9.272 4.226 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.769 11.555 3.970 1.00 0.00 C ATOM 0 H THR A 73 10.311 8.006 3.130 1.00 0.00 H new ATOM 0 HA THR A 73 10.436 10.694 1.930 1.00 0.00 H new ATOM 0 HB THR A 73 12.953 10.420 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.302 9.167 4.342 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.600 11.814 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.619 12.352 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.863 11.430 4.564 1.00 0.00 H new ATOM 1167 N GLU A 74 12.495 9.735 0.417 1.00 0.00 N ATOM 1168 CA GLU A 74 13.146 9.143 -0.745 1.00 0.00 C ATOM 1169 C GLU A 74 14.021 7.964 -0.335 1.00 0.00 C ATOM 1170 O GLU A 74 14.179 7.003 -1.089 1.00 0.00 O ATOM 1171 CB GLU A 74 13.991 10.191 -1.472 1.00 0.00 C ATOM 1172 CG GLU A 74 13.195 11.401 -1.933 1.00 0.00 C ATOM 1173 CD GLU A 74 14.037 12.388 -2.716 1.00 0.00 C ATOM 1174 OE1 GLU A 74 15.017 11.956 -3.356 1.00 0.00 O ATOM 1175 OE2 GLU A 74 13.715 13.596 -2.691 1.00 0.00 O ATOM 0 H GLU A 74 12.813 10.677 0.644 1.00 0.00 H new ATOM 0 HA GLU A 74 12.370 8.780 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.791 10.523 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.465 9.727 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.362 11.069 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.767 11.902 -1.065 1.00 0.00 H new ATOM 1182 N ASP A 75 14.588 8.043 0.865 1.00 0.00 N ATOM 1183 CA ASP A 75 15.447 6.980 1.376 1.00 0.00 C ATOM 1184 C ASP A 75 14.623 5.759 1.773 1.00 0.00 C ATOM 1185 O ASP A 75 15.024 4.622 1.526 1.00 0.00 O ATOM 1186 CB ASP A 75 16.251 7.480 2.578 1.00 0.00 C ATOM 1187 CG ASP A 75 15.369 8.089 3.650 1.00 0.00 C ATOM 1188 OD1 ASP A 75 14.855 9.206 3.432 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.193 7.449 4.708 1.00 0.00 O ATOM 0 H ASP A 75 14.468 8.831 1.501 1.00 0.00 H new ATOM 0 HA ASP A 75 16.135 6.689 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.816 6.651 3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.976 8.222 2.243 1.00 0.00 H new ATOM 1194 N LYS A 76 13.471 6.004 2.387 1.00 0.00 N ATOM 1195 CA LYS A 76 12.591 4.922 2.818 1.00 0.00 C ATOM 1196 C LYS A 76 11.983 4.205 1.617 1.00 0.00 C ATOM 1197 O LYS A 76 11.814 2.986 1.629 1.00 0.00 O ATOM 1198 CB LYS A 76 11.479 5.470 3.715 1.00 0.00 C ATOM 1199 CG LYS A 76 11.992 6.275 4.898 1.00 0.00 C ATOM 1200 CD LYS A 76 11.620 5.626 6.223 1.00 0.00 C ATOM 1201 CE LYS A 76 11.812 6.586 7.386 1.00 0.00 C ATOM 1202 NZ LYS A 76 10.543 7.270 7.758 1.00 0.00 N ATOM 0 H LYS A 76 13.124 6.940 2.598 1.00 0.00 H new ATOM 0 HA LYS A 76 13.186 4.205 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.819 6.099 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.879 4.638 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.076 6.370 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.580 7.283 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.582 5.297 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.231 4.737 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.196 6.040 8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.562 7.331 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.654 7.726 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.314 7.990 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.773 6.572 7.805 1.00 0.00 H new ATOM 1216 N LEU A 77 11.660 4.970 0.581 1.00 0.00 N ATOM 1217 CA LEU A 77 11.072 4.410 -0.631 1.00 0.00 C ATOM 1218 C LEU A 77 12.145 3.807 -1.539 1.00 0.00 C ATOM 1219 O LEU A 77 11.839 3.042 -2.452 1.00 0.00 O ATOM 1220 CB LEU A 77 10.295 5.492 -1.387 1.00 0.00 C ATOM 1221 CG LEU A 77 9.024 5.011 -2.090 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.335 3.864 -3.039 1.00 0.00 C ATOM 1223 CD2 LEU A 77 7.971 4.593 -1.073 1.00 0.00 C ATOM 0 H LEU A 77 11.795 5.981 0.555 1.00 0.00 H new ATOM 0 HA LEU A 77 10.388 3.613 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.026 6.281 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.955 5.938 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 77 8.625 5.840 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.417 3.537 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.049 4.198 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.762 3.033 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.076 4.255 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.361 3.782 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.721 5.443 -0.438 1.00 0.00 H new ATOM 1235 N GLU A 78 13.404 4.156 -1.286 1.00 0.00 N ATOM 1236 CA GLU A 78 14.510 3.643 -2.085 1.00 0.00 C ATOM 1237 C GLU A 78 15.063 2.350 -1.493 1.00 0.00 C ATOM 1238 O GLU A 78 15.479 1.451 -2.222 1.00 0.00 O ATOM 1239 CB GLU A 78 15.622 4.690 -2.184 1.00 0.00 C ATOM 1240 CG GLU A 78 15.478 5.623 -3.375 1.00 0.00 C ATOM 1241 CD GLU A 78 16.697 6.500 -3.579 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.174 7.093 -2.588 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.174 6.595 -4.729 1.00 0.00 O ATOM 0 H GLU A 78 13.682 4.790 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 78 14.131 3.427 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.634 5.282 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.584 4.181 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.305 5.033 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.601 6.254 -3.234 1.00 0.00 H new ATOM 1250 N LYS A 79 15.071 2.267 -0.167 1.00 0.00 N ATOM 1251 CA LYS A 79 15.580 1.085 0.522 1.00 0.00 C ATOM 1252 C LYS A 79 14.448 0.129 0.891 1.00 0.00 C ATOM 1253 O LYS A 79 14.450 -1.034 0.488 1.00 0.00 O ATOM 1254 CB LYS A 79 16.346 1.495 1.781 1.00 0.00 C ATOM 1255 CG LYS A 79 17.570 0.639 2.054 1.00 0.00 C ATOM 1256 CD LYS A 79 18.592 1.381 2.902 1.00 0.00 C ATOM 1257 CE LYS A 79 18.534 0.942 4.356 1.00 0.00 C ATOM 1258 NZ LYS A 79 19.154 1.944 5.265 1.00 0.00 N ATOM 0 H LYS A 79 14.731 3.003 0.452 1.00 0.00 H new ATOM 0 HA LYS A 79 16.256 0.567 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.655 2.536 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.675 1.439 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.269 -0.276 2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.026 0.343 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.592 1.203 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.410 2.454 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.495 0.783 4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.046 -0.014 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.094 1.606 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.152 2.077 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.650 2.850 5.179 1.00 0.00 H new ATOM 1272 N TYR A 80 13.489 0.626 1.663 1.00 0.00 N ATOM 1273 CA TYR A 80 12.355 -0.187 2.093 1.00 0.00 C ATOM 1274 C TYR A 80 11.313 -0.321 0.986 1.00 0.00 C ATOM 1275 O TYR A 80 10.538 -1.277 0.968 1.00 0.00 O ATOM 1276 CB TYR A 80 11.714 0.417 3.344 1.00 0.00 C ATOM 1277 CG TYR A 80 12.682 0.603 4.488 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.502 -0.438 4.906 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.780 1.822 5.149 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.392 -0.269 5.951 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.667 1.997 6.194 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.471 0.949 6.591 1.00 0.00 C ATOM 1283 OH TYR A 80 15.354 1.120 7.631 1.00 0.00 O ATOM 0 H TYR A 80 13.473 1.587 2.004 1.00 0.00 H new ATOM 0 HA TYR A 80 12.730 -1.184 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.277 1.382 3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.897 -0.227 3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.443 -1.394 4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.153 2.645 4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 80 15.022 -1.088 6.264 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.730 2.950 6.698 1.00 0.00 H new ATOM 0 HH TYR A 80 15.285 2.036 7.971 1.00 0.00 H new ATOM 1293 N GLY A 81 11.296 0.640 0.067 1.00 0.00 N ATOM 1294 CA GLY A 81 10.341 0.605 -1.028 1.00 0.00 C ATOM 1295 C GLY A 81 10.304 -0.741 -1.730 1.00 0.00 C ATOM 1296 O GLY A 81 9.282 -1.123 -2.299 1.00 0.00 O ATOM 0 H GLY A 81 11.926 1.442 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.347 0.838 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.595 1.380 -1.751 1.00 0.00 H new ATOM 1300 N ALA A 82 11.420 -1.459 -1.686 1.00 0.00 N ATOM 1301 CA ALA A 82 11.509 -2.768 -2.319 1.00 0.00 C ATOM 1302 C ALA A 82 10.743 -3.818 -1.520 1.00 0.00 C ATOM 1303 O ALA A 82 10.299 -4.826 -2.067 1.00 0.00 O ATOM 1304 CB ALA A 82 12.966 -3.180 -2.475 1.00 0.00 C ATOM 0 H ALA A 82 12.275 -1.157 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 82 11.054 -2.698 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.018 -4.160 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.487 -2.449 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.438 -3.226 -1.494 1.00 0.00 H new ATOM 1310 N GLU A 83 10.593 -3.574 -0.220 1.00 0.00 N ATOM 1311 CA GLU A 83 9.883 -4.500 0.653 1.00 0.00 C ATOM 1312 C GLU A 83 8.425 -4.080 0.826 1.00 0.00 C ATOM 1313 O GLU A 83 7.509 -4.844 0.515 1.00 0.00 O ATOM 1314 CB GLU A 83 10.570 -4.573 2.017 1.00 0.00 C ATOM 1315 CG GLU A 83 10.634 -5.979 2.593 1.00 0.00 C ATOM 1316 CD GLU A 83 11.767 -6.797 2.005 1.00 0.00 C ATOM 1317 OE1 GLU A 83 11.922 -6.792 0.765 1.00 0.00 O ATOM 1318 OE2 GLU A 83 12.499 -7.444 2.784 1.00 0.00 O ATOM 0 H GLU A 83 10.954 -2.744 0.250 1.00 0.00 H new ATOM 0 HA GLU A 83 9.904 -5.486 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.583 -4.181 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.040 -3.927 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.756 -5.920 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.688 -6.488 2.407 1.00 0.00 H new ATOM 1325 N VAL A 84 8.215 -2.865 1.326 1.00 0.00 N ATOM 1326 CA VAL A 84 6.864 -2.350 1.541 1.00 0.00 C ATOM 1327 C VAL A 84 6.003 -2.508 0.289 1.00 0.00 C ATOM 1328 O VAL A 84 4.920 -3.091 0.344 1.00 0.00 O ATOM 1329 CB VAL A 84 6.867 -0.861 1.958 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.061 -0.731 3.460 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.934 -0.078 1.203 1.00 0.00 C ATOM 0 H VAL A 84 8.960 -2.220 1.589 1.00 0.00 H new ATOM 0 HA VAL A 84 6.441 -2.941 2.353 1.00 0.00 H new ATOM 0 HB VAL A 84 5.898 -0.435 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.061 0.323 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.249 -1.242 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.012 -1.181 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.911 0.965 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.916 -0.500 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.740 -0.138 0.132 1.00 0.00 H new ATOM 1341 N ILE A 85 6.491 -1.993 -0.835 1.00 0.00 N ATOM 1342 CA ILE A 85 5.762 -2.084 -2.094 1.00 0.00 C ATOM 1343 C ILE A 85 5.522 -3.537 -2.486 1.00 0.00 C ATOM 1344 O ILE A 85 4.552 -3.851 -3.170 1.00 0.00 O ATOM 1345 CB ILE A 85 6.513 -1.369 -3.237 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.779 0.092 -2.863 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.713 -1.455 -4.532 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.370 0.908 -3.992 1.00 0.00 C ATOM 0 H ILE A 85 7.387 -1.509 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 85 4.803 -1.589 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 85 7.471 -1.866 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.844 0.553 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.457 0.122 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.255 -0.946 -5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.569 -2.501 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.742 -0.979 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.532 1.932 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.321 0.472 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.683 0.909 -4.839 1.00 0.00 H new ATOM 1360 N SER A 86 6.408 -4.425 -2.043 1.00 0.00 N ATOM 1361 CA SER A 86 6.277 -5.846 -2.349 1.00 0.00 C ATOM 1362 C SER A 86 4.947 -6.382 -1.832 1.00 0.00 C ATOM 1363 O SER A 86 4.356 -7.287 -2.424 1.00 0.00 O ATOM 1364 CB SER A 86 7.436 -6.631 -1.733 1.00 0.00 C ATOM 1365 OG SER A 86 7.631 -7.862 -2.407 1.00 0.00 O ATOM 0 H SER A 86 7.220 -4.187 -1.474 1.00 0.00 H new ATOM 0 HA SER A 86 6.305 -5.970 -3.432 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.349 -6.037 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.233 -6.818 -0.678 1.00 0.00 H new ATOM 0 HG SER A 86 8.378 -8.345 -1.996 1.00 0.00 H new ATOM 1371 N VAL A 87 4.482 -5.814 -0.725 1.00 0.00 N ATOM 1372 CA VAL A 87 3.220 -6.223 -0.120 1.00 0.00 C ATOM 1373 C VAL A 87 2.050 -5.407 -0.667 1.00 0.00 C ATOM 1374 O VAL A 87 0.895 -5.816 -0.559 1.00 0.00 O ATOM 1375 CB VAL A 87 3.257 -6.074 1.414 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.049 -6.744 2.046 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.549 -6.648 1.977 1.00 0.00 C ATOM 0 H VAL A 87 4.963 -5.065 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 87 3.077 -7.273 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 87 3.222 -5.012 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.094 -6.628 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.137 -6.281 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.048 -7.805 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.556 -6.533 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.618 -7.706 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.400 -6.116 1.550 1.00 0.00 H new ATOM 1387 N LEU A 88 2.355 -4.247 -1.243 1.00 0.00 N ATOM 1388 CA LEU A 88 1.324 -3.371 -1.790 1.00 0.00 C ATOM 1389 C LEU A 88 0.953 -3.754 -3.222 1.00 0.00 C ATOM 1390 O LEU A 88 -0.124 -3.407 -3.704 1.00 0.00 O ATOM 1391 CB LEU A 88 1.791 -1.915 -1.749 1.00 0.00 C ATOM 1392 CG LEU A 88 1.674 -1.236 -0.380 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.008 -0.629 0.030 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.586 -0.170 -0.398 1.00 0.00 C ATOM 0 H LEU A 88 3.306 -3.893 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 88 0.435 -3.488 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.832 -1.874 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.211 -1.342 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 88 1.398 -1.993 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.906 -0.151 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.762 -1.414 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.312 0.113 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.520 0.299 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.829 0.585 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.371 -0.631 -0.645 1.00 0.00 H new ATOM 1406 N GLN A 89 1.850 -4.462 -3.900 1.00 0.00 N ATOM 1407 CA GLN A 89 1.611 -4.879 -5.279 1.00 0.00 C ATOM 1408 C GLN A 89 0.252 -5.563 -5.421 1.00 0.00 C ATOM 1409 O GLN A 89 -0.418 -5.430 -6.446 1.00 0.00 O ATOM 1410 CB GLN A 89 2.720 -5.823 -5.746 1.00 0.00 C ATOM 1411 CG GLN A 89 2.937 -5.810 -7.250 1.00 0.00 C ATOM 1412 CD GLN A 89 2.940 -7.201 -7.852 1.00 0.00 C ATOM 1413 OE1 GLN A 89 2.374 -7.428 -8.923 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.577 -8.142 -7.165 1.00 0.00 N ATOM 0 H GLN A 89 2.748 -4.759 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 89 1.612 -3.986 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.651 -5.549 -5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.478 -6.838 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.154 -5.216 -7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.885 -5.320 -7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.032 -7.909 -6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.611 -9.098 -7.520 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.146 -6.295 -4.385 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.424 -7.001 -4.393 1.00 0.00 C ATOM 1425 C LYS A 90 -2.593 -6.021 -4.446 1.00 0.00 C ATOM 1426 O LYS A 90 -3.572 -6.251 -5.157 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.545 -7.891 -3.155 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.295 -8.711 -2.870 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.611 -10.194 -2.760 1.00 0.00 C ATOM 1430 CE LYS A 90 -1.083 -10.561 -1.361 1.00 0.00 C ATOM 1431 NZ LYS A 90 -1.180 -12.035 -1.176 1.00 0.00 N ATOM 0 H LYS A 90 0.397 -6.415 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.459 -7.624 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.765 -7.267 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.391 -8.566 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.434 -8.552 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.163 -8.366 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.380 -10.458 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.276 -10.776 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.393 -10.148 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.057 -10.107 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.505 -12.243 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.857 -12.427 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.246 -12.466 -1.327 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.485 -4.933 -3.689 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.539 -3.924 -3.654 1.00 0.00 C ATOM 1447 C TYR A 91 -3.821 -3.375 -5.047 1.00 0.00 C ATOM 1448 O TYR A 91 -4.972 -3.310 -5.476 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.152 -2.779 -2.714 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.576 -3.238 -1.389 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.911 -4.475 -0.849 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.693 -2.432 -0.685 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.380 -4.892 0.357 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.160 -2.843 0.522 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.505 -4.073 1.037 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.972 -4.487 2.235 1.00 0.00 O ATOM 0 H TYR A 91 -1.682 -4.728 -3.094 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.445 -4.402 -3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.423 -2.142 -3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.033 -2.166 -2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.596 -5.119 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.418 -1.468 -1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.650 -5.855 0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.476 -2.203 1.059 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.504 -3.739 2.661 1.00 0.00 H new ATOM 1466 N SER A 92 -2.763 -2.978 -5.749 1.00 0.00 N ATOM 1467 CA SER A 92 -2.899 -2.433 -7.095 1.00 0.00 C ATOM 1468 C SER A 92 -3.650 -3.404 -8.004 1.00 0.00 C ATOM 1469 O SER A 92 -4.352 -2.989 -8.925 1.00 0.00 O ATOM 1470 CB SER A 92 -1.522 -2.123 -7.685 1.00 0.00 C ATOM 1471 OG SER A 92 -1.511 -0.855 -8.318 1.00 0.00 O ATOM 0 H SER A 92 -1.803 -3.024 -5.408 1.00 0.00 H new ATOM 0 HA SER A 92 -3.474 -1.509 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.771 -2.145 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.250 -2.895 -8.405 1.00 0.00 H new ATOM 0 HG SER A 92 -0.619 -0.680 -8.685 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.497 -4.696 -7.735 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.162 -5.724 -8.525 1.00 0.00 C ATOM 1479 C GLU A 93 -5.666 -5.728 -8.264 1.00 0.00 C ATOM 1480 O GLU A 93 -6.453 -6.122 -9.124 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.574 -7.100 -8.211 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.062 -7.163 -8.352 1.00 0.00 C ATOM 1483 CD GLU A 93 -1.624 -7.599 -9.736 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -1.899 -8.760 -10.108 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -1.005 -6.781 -10.450 1.00 0.00 O ATOM 0 H GLU A 93 -2.918 -5.056 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.997 -5.498 -9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.847 -7.379 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.023 -7.838 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.639 -6.183 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.660 -7.856 -7.613 1.00 0.00 H new ATOM 1492 N TRP A 94 -6.056 -5.292 -7.071 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.466 -5.246 -6.696 1.00 0.00 C ATOM 1494 C TRP A 94 -8.012 -3.821 -6.756 1.00 0.00 C ATOM 1495 O TRP A 94 -9.225 -3.614 -6.770 1.00 0.00 O ATOM 1496 CB TRP A 94 -7.657 -5.816 -5.289 1.00 0.00 C ATOM 1497 CG TRP A 94 -7.500 -7.304 -5.223 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -6.410 -8.031 -5.605 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -8.464 -8.249 -4.746 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -6.637 -9.370 -5.396 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -7.891 -9.529 -4.868 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -9.759 -8.137 -4.227 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -8.568 -10.687 -4.490 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -10.428 -9.286 -3.853 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -9.831 -10.546 -3.985 1.00 0.00 C ATOM 0 H TRP A 94 -5.416 -4.965 -6.347 1.00 0.00 H new ATOM 0 HA TRP A 94 -8.021 -5.853 -7.411 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.936 -5.352 -4.616 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.649 -5.547 -4.928 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -5.501 -7.614 -6.013 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -5.979 -10.122 -5.601 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.227 -7.169 -4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.112 -11.661 -4.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -11.428 -9.212 -3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -10.380 -11.425 -3.681 1.00 0.00 H new ATOM 1516 N THR A 95 -7.113 -2.840 -6.790 1.00 0.00 N ATOM 1517 CA THR A 95 -7.514 -1.439 -6.845 1.00 0.00 C ATOM 1518 C THR A 95 -8.200 -1.119 -8.170 1.00 0.00 C ATOM 1519 O THR A 95 -9.061 -0.243 -8.238 1.00 0.00 O ATOM 1520 CB THR A 95 -6.297 -0.533 -6.658 1.00 0.00 C ATOM 1521 OG1 THR A 95 -5.580 -0.891 -5.489 1.00 0.00 O ATOM 1522 CG2 THR A 95 -6.653 0.934 -6.545 1.00 0.00 C ATOM 0 H THR A 95 -6.104 -2.990 -6.780 1.00 0.00 H new ATOM 0 HA THR A 95 -8.223 -1.258 -6.037 1.00 0.00 H new ATOM 0 HB THR A 95 -5.692 -0.676 -7.553 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.715 -1.843 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.743 1.520 -6.414 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.164 1.255 -7.452 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.308 1.084 -5.687 1.00 0.00 H new ATOM 1530 N SER A 96 -7.812 -1.837 -9.218 1.00 0.00 N ATOM 1531 CA SER A 96 -8.392 -1.630 -10.542 1.00 0.00 C ATOM 1532 C SER A 96 -8.902 -2.946 -11.124 1.00 0.00 C ATOM 1533 O SER A 96 -8.300 -4.000 -10.916 1.00 0.00 O ATOM 1534 CB SER A 96 -7.357 -1.010 -11.481 1.00 0.00 C ATOM 1535 OG SER A 96 -7.978 -0.453 -12.627 1.00 0.00 O ATOM 0 H SER A 96 -7.100 -2.566 -9.178 1.00 0.00 H new ATOM 0 HA SER A 96 -9.236 -0.948 -10.441 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.800 -0.236 -10.953 1.00 0.00 H new ATOM 0 HB3 SER A 96 -6.637 -1.769 -11.786 1.00 0.00 H new ATOM 0 HG SER A 96 -7.692 -0.944 -13.425 1.00 0.00 H new ATOM 1541 N PRO A 97 -10.023 -2.904 -11.865 1.00 0.00 N ATOM 1542 CA PRO A 97 -10.609 -4.101 -12.478 1.00 0.00 C ATOM 1543 C PRO A 97 -9.729 -4.671 -13.585 1.00 0.00 C ATOM 1544 O PRO A 97 -9.759 -5.871 -13.861 1.00 0.00 O ATOM 1545 CB PRO A 97 -11.935 -3.599 -13.053 1.00 0.00 C ATOM 1546 CG PRO A 97 -11.732 -2.138 -13.262 1.00 0.00 C ATOM 1547 CD PRO A 97 -10.806 -1.690 -12.165 1.00 0.00 C ATOM 0 HA PRO A 97 -10.725 -4.911 -11.758 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.176 -4.103 -13.989 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -12.761 -3.789 -12.367 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -11.300 -1.940 -14.243 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.680 -1.601 -13.217 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.167 -0.869 -12.489 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.356 -1.340 -11.292 1.00 0.00 H new ATOM 1555 N ALA A 98 -8.946 -3.803 -14.218 1.00 0.00 N ATOM 1556 CA ALA A 98 -8.057 -4.219 -15.295 1.00 0.00 C ATOM 1557 C ALA A 98 -6.679 -3.583 -15.147 1.00 0.00 C ATOM 1558 O ALA A 98 -6.442 -2.804 -14.223 1.00 0.00 O ATOM 1559 CB ALA A 98 -8.660 -3.865 -16.646 1.00 0.00 C ATOM 0 H ALA A 98 -8.910 -2.807 -14.003 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.938 -5.301 -15.235 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.984 -4.182 -17.440 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.618 -4.372 -16.761 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.810 -2.787 -16.706 1.00 0.00 H new ATOM 1565 N GLU A 99 -5.774 -3.919 -16.059 1.00 0.00 N ATOM 1566 CA GLU A 99 -4.419 -3.380 -16.030 1.00 0.00 C ATOM 1567 C GLU A 99 -4.311 -2.133 -16.900 1.00 0.00 C ATOM 1568 O GLU A 99 -4.759 -2.121 -18.047 1.00 0.00 O ATOM 1569 CB GLU A 99 -3.418 -4.436 -16.502 1.00 0.00 C ATOM 1570 CG GLU A 99 -2.828 -5.263 -15.371 1.00 0.00 C ATOM 1571 CD GLU A 99 -1.617 -6.064 -15.804 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -0.511 -5.484 -15.860 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -1.773 -7.269 -16.089 1.00 0.00 O ATOM 0 H GLU A 99 -5.954 -4.563 -16.829 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.186 -3.103 -15.002 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.912 -5.103 -17.209 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.609 -3.943 -17.041 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.547 -4.602 -14.551 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.589 -5.942 -14.987 1.00 0.00 H new ATOM 1580 N ASP A 100 -3.713 -1.082 -16.347 1.00 0.00 N ATOM 1581 CA ASP A 100 -3.544 0.172 -17.074 1.00 0.00 C ATOM 1582 C ASP A 100 -2.330 0.110 -17.995 1.00 0.00 C ATOM 1583 O ASP A 100 -2.452 0.255 -19.210 1.00 0.00 O ATOM 1584 CB ASP A 100 -3.396 1.337 -16.094 1.00 0.00 C ATOM 1585 CG ASP A 100 -4.464 1.328 -15.018 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -5.515 0.684 -15.230 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -4.253 1.964 -13.965 1.00 0.00 O ATOM 0 H ASP A 100 -3.338 -1.074 -15.399 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.432 0.330 -17.686 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.413 1.292 -15.626 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.445 2.278 -16.642 1.00 0.00 H new ATOM 1592 N SER A 101 -1.158 -0.107 -17.406 1.00 0.00 N ATOM 1593 CA SER A 101 0.079 -0.189 -18.173 1.00 0.00 C ATOM 1594 C SER A 101 1.200 -0.795 -17.335 1.00 0.00 C ATOM 1595 O SER A 101 0.914 -1.250 -16.207 1.00 0.00 O ATOM 1596 CB SER A 101 0.490 1.200 -18.667 1.00 0.00 C ATOM 1597 OG SER A 101 1.071 1.130 -19.958 1.00 0.00 O ATOM 1598 OXT SER A 101 2.354 -0.811 -17.813 1.00 0.00 O ATOM 0 H SER A 101 -1.040 -0.229 -16.400 1.00 0.00 H new ATOM 0 HA SER A 101 -0.098 -0.836 -19.032 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.382 1.853 -18.692 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.200 1.643 -17.969 1.00 0.00 H new ATOM 0 HG SER A 101 1.324 2.030 -20.252 1.00 0.00 H new TER 1604 SER A 101