USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 880 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 12 GLN : amide:sc= 1.64 K(o=2,f=-1.9!) USER MOD Set 1.2: A 44 TYR OH : rot 63:sc= 0.297 USER MOD Set 1.3: A 104 TYR OH : rot 30:sc= 0.0132 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 14 SER OG : rot 94:sc= 1.24 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= -0.0219 (180deg=-0.119) USER MOD Single : A 22 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -89:sc= 1.92 USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= 1.41 (180deg=1.01) USER MOD Single : A 40 GLN : amide:sc= -2.94 K(o=-2.9,f=-0.72) USER MOD Single : A 42 LYS NZ :NH3+ -132:sc= -0.792 (180deg=-1.42) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.44) USER MOD Single : A 55 MET CE :methyl 173:sc= -0.685 (180deg=-0.788) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc=-0.00767 K(o=-0.0077,f=-0.85) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.583 K(o=-0.58,f=-0.067) 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 77 GLN : amide:sc= 0.303 X(o=0.3,f=-0.0023) USER MOD Single : A 78 SER OG : rot 31:sc= 0.0642 USER MOD Single : A 80 LYS NZ :NH3+ 143:sc= 1.03 (180deg=0.22) USER MOD Single : A 82 HIS : no HE2:sc= 1.25 K(o=1.3,f=-5!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.19 X(o=0.19,f=-0.11) USER MOD Single : A 99 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.17) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 24:sc= 0.704 USER MOD Single : A 107 MET CE :methyl -173:sc= 0 (180deg=-0.0213) USER MOD Single : A 110 GLN : amide:sc= 0.592 K(o=0.59,f=-8.6!) USER MOD Single : A 116 LYS NZ :NH3+ -154:sc= -0.945 (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 69 N ALA A 7 -10.518 6.911 -6.843 1.00 0.00 N ATOM 70 CA ALA A 7 -11.458 5.923 -7.334 1.00 0.00 C ATOM 71 C ALA A 7 -12.511 5.635 -6.297 1.00 0.00 C ATOM 72 O ALA A 7 -12.419 6.108 -5.154 1.00 0.00 O ATOM 73 CB ALA A 7 -10.729 4.642 -7.644 1.00 0.00 C ATOM 0 HA ALA A 7 -11.932 6.317 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.437 3.900 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.971 4.830 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.250 4.268 -6.739 1.00 0.00 H new ATOM 79 N ASP A 8 -13.502 4.862 -6.682 1.00 0.00 N ATOM 80 CA ASP A 8 -14.534 4.416 -5.763 1.00 0.00 C ATOM 81 C ASP A 8 -13.893 3.496 -4.792 1.00 0.00 C ATOM 82 O ASP A 8 -12.995 2.795 -5.187 1.00 0.00 O ATOM 83 CB ASP A 8 -15.608 3.666 -6.506 1.00 0.00 C ATOM 84 CG ASP A 8 -16.826 3.384 -5.662 1.00 0.00 C ATOM 85 OD1 ASP A 8 -16.842 2.365 -4.946 1.00 0.00 O ATOM 86 OD2 ASP A 8 -17.801 4.162 -5.725 1.00 0.00 O ATOM 0 H ASP A 8 -13.618 4.524 -7.637 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.988 5.273 -5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.906 4.243 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.199 2.723 -6.869 1.00 0.00 H new ATOM 91 N LEU A 9 -14.321 3.483 -3.543 1.00 0.00 N ATOM 92 CA LEU A 9 -13.693 2.626 -2.525 1.00 0.00 C ATOM 93 C LEU A 9 -13.691 1.202 -2.978 1.00 0.00 C ATOM 94 O LEU A 9 -12.691 0.487 -2.854 1.00 0.00 O ATOM 95 CB LEU A 9 -14.464 2.634 -1.253 1.00 0.00 C ATOM 96 CG LEU A 9 -14.828 3.945 -0.640 1.00 0.00 C ATOM 97 CD1 LEU A 9 -15.483 3.638 0.648 1.00 0.00 C ATOM 98 CD2 LEU A 9 -13.626 4.830 -0.439 1.00 0.00 C ATOM 0 H LEU A 9 -15.097 4.049 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.686 3.016 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.388 2.082 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.890 2.073 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.494 4.500 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.771 4.567 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.371 3.032 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.791 3.088 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.939 5.773 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.915 4.333 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.153 5.025 -1.401 1.00 0.00 H new ATOM 110 N ASP A 10 -14.803 0.814 -3.554 1.00 0.00 N ATOM 111 CA ASP A 10 -14.980 -0.562 -4.007 1.00 0.00 C ATOM 112 C ASP A 10 -14.086 -0.835 -5.172 1.00 0.00 C ATOM 113 O ASP A 10 -13.510 -1.920 -5.289 1.00 0.00 O ATOM 114 CB ASP A 10 -16.427 -0.874 -4.365 1.00 0.00 C ATOM 115 CG ASP A 10 -16.576 -2.241 -4.992 1.00 0.00 C ATOM 116 OD1 ASP A 10 -16.507 -3.244 -4.285 1.00 0.00 O ATOM 117 OD2 ASP A 10 -16.738 -2.328 -6.224 1.00 0.00 O ATOM 0 H ASP A 10 -15.603 1.423 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.709 -1.215 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.042 -0.819 -3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.801 -0.117 -5.054 1.00 0.00 H new ATOM 122 N THR A 11 -13.921 0.166 -5.994 1.00 0.00 N ATOM 123 CA THR A 11 -13.076 0.102 -7.094 1.00 0.00 C ATOM 124 C THR A 11 -11.643 -0.049 -6.610 1.00 0.00 C ATOM 125 O THR A 11 -10.968 -0.982 -6.980 1.00 0.00 O ATOM 126 CB THR A 11 -13.243 1.391 -7.872 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.470 1.400 -8.598 1.00 0.00 O ATOM 128 CG2 THR A 11 -12.067 1.700 -8.731 1.00 0.00 C ATOM 0 H THR A 11 -14.397 1.062 -5.890 1.00 0.00 H new ATOM 0 HA THR A 11 -13.315 -0.749 -7.731 1.00 0.00 H new ATOM 0 HB THR A 11 -13.293 2.201 -7.144 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.553 2.244 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.242 2.634 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.178 1.799 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.919 0.894 -9.449 1.00 0.00 H new ATOM 136 N GLN A 12 -11.250 0.852 -5.718 1.00 0.00 N ATOM 137 CA GLN A 12 -9.920 0.922 -5.159 1.00 0.00 C ATOM 138 C GLN A 12 -9.450 -0.416 -4.658 1.00 0.00 C ATOM 139 O GLN A 12 -8.410 -0.914 -5.078 1.00 0.00 O ATOM 140 CB GLN A 12 -9.904 1.852 -3.981 1.00 0.00 C ATOM 141 CG GLN A 12 -10.252 3.312 -4.262 1.00 0.00 C ATOM 142 CD GLN A 12 -10.212 4.194 -3.017 1.00 0.00 C ATOM 143 OE1 GLN A 12 -9.443 3.960 -2.092 1.00 0.00 O ATOM 144 NE2 GLN A 12 -11.032 5.213 -2.989 1.00 0.00 N ATOM 0 H GLN A 12 -11.874 1.574 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.266 1.270 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.603 1.472 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.911 1.818 -3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.556 3.708 -5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.248 3.362 -4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.661 5.383 -3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.042 5.837 -2.182 1.00 0.00 H new ATOM 153 N ARG A 13 -10.251 -1.014 -3.801 1.00 0.00 N ATOM 154 CA ARG A 13 -9.875 -2.235 -3.150 1.00 0.00 C ATOM 155 C ARG A 13 -9.706 -3.366 -4.140 1.00 0.00 C ATOM 156 O ARG A 13 -8.731 -4.088 -4.102 1.00 0.00 O ATOM 157 CB ARG A 13 -10.843 -2.604 -2.026 1.00 0.00 C ATOM 158 CG ARG A 13 -12.290 -2.574 -2.388 1.00 0.00 C ATOM 159 CD ARG A 13 -13.090 -3.572 -1.571 1.00 0.00 C ATOM 160 NE ARG A 13 -14.466 -3.739 -2.049 1.00 0.00 N ATOM 161 CZ ARG A 13 -15.373 -4.588 -1.528 1.00 0.00 C ATOM 162 NH1 ARG A 13 -15.153 -5.210 -0.384 1.00 0.00 N ATOM 163 NH2 ARG A 13 -16.518 -4.742 -2.128 1.00 0.00 N ATOM 0 H ARG A 13 -11.174 -0.664 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.903 -2.064 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.596 -3.605 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.681 -1.921 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.685 -1.571 -2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.405 -2.796 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.585 -4.538 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.111 -3.247 -0.531 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.760 -3.166 -2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.282 -5.052 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.854 -5.849 -0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.720 -4.223 -2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.213 -5.382 -1.744 1.00 0.00 H new ATOM 177 N SER A 14 -10.615 -3.452 -5.049 1.00 0.00 N ATOM 178 CA SER A 14 -10.609 -4.472 -6.062 1.00 0.00 C ATOM 179 C SER A 14 -9.448 -4.260 -7.065 1.00 0.00 C ATOM 180 O SER A 14 -8.703 -5.199 -7.404 1.00 0.00 O ATOM 181 CB SER A 14 -11.934 -4.394 -6.780 1.00 0.00 C ATOM 182 OG SER A 14 -13.019 -4.554 -5.873 1.00 0.00 O ATOM 0 H SER A 14 -11.402 -2.807 -5.118 1.00 0.00 H new ATOM 0 HA SER A 14 -10.464 -5.451 -5.605 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.020 -3.434 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.981 -5.166 -7.548 1.00 0.00 H new ATOM 0 HG SER A 14 -13.328 -3.673 -5.574 1.00 0.00 H new ATOM 188 N ASP A 15 -9.280 -3.015 -7.480 1.00 0.00 N ATOM 189 CA ASP A 15 -8.306 -2.615 -8.497 1.00 0.00 C ATOM 190 C ASP A 15 -6.893 -2.887 -7.999 1.00 0.00 C ATOM 191 O ASP A 15 -6.021 -3.341 -8.749 1.00 0.00 O ATOM 192 CB ASP A 15 -8.511 -1.116 -8.822 1.00 0.00 C ATOM 193 CG ASP A 15 -7.912 -0.647 -10.125 1.00 0.00 C ATOM 194 OD1 ASP A 15 -7.896 -1.415 -11.109 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.492 0.523 -10.213 1.00 0.00 O ATOM 0 H ASP A 15 -9.825 -2.234 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.452 -3.195 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.581 -0.909 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.084 -0.525 -8.012 1.00 0.00 H new ATOM 200 N ILE A 16 -6.693 -2.659 -6.722 1.00 0.00 N ATOM 201 CA ILE A 16 -5.433 -2.907 -6.080 1.00 0.00 C ATOM 202 C ILE A 16 -5.251 -4.383 -5.774 1.00 0.00 C ATOM 203 O ILE A 16 -4.158 -4.913 -5.966 1.00 0.00 O ATOM 204 CB ILE A 16 -5.291 -2.044 -4.802 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.235 -0.552 -5.155 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.110 -2.450 -3.957 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.124 -0.178 -6.115 1.00 0.00 C ATOM 0 H ILE A 16 -7.411 -2.292 -6.097 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.640 -2.619 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.180 -2.222 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.190 -0.258 -5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.114 0.022 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.058 -1.813 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.224 -3.489 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.193 -2.342 -4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.157 0.894 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.161 -0.437 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.254 -0.721 -7.051 1.00 0.00 H new ATOM 219 N ALA A 17 -6.330 -5.062 -5.385 1.00 0.00 N ATOM 220 CA ALA A 17 -6.276 -6.481 -5.023 1.00 0.00 C ATOM 221 C ALA A 17 -5.783 -7.278 -6.198 1.00 0.00 C ATOM 222 O ALA A 17 -4.982 -8.202 -6.050 1.00 0.00 O ATOM 223 CB ALA A 17 -7.640 -6.984 -4.583 1.00 0.00 C ATOM 0 H ALA A 17 -7.260 -4.649 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.589 -6.602 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.571 -8.040 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.975 -6.415 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.354 -6.859 -5.397 1.00 0.00 H new ATOM 229 N THR A 18 -6.204 -6.845 -7.365 1.00 0.00 N ATOM 230 CA THR A 18 -5.842 -7.404 -8.610 1.00 0.00 C ATOM 231 C THR A 18 -4.316 -7.288 -8.871 1.00 0.00 C ATOM 232 O THR A 18 -3.690 -8.169 -9.461 1.00 0.00 O ATOM 233 CB THR A 18 -6.687 -6.685 -9.691 1.00 0.00 C ATOM 234 OG1 THR A 18 -7.981 -7.277 -9.829 1.00 0.00 O ATOM 235 CG2 THR A 18 -5.976 -6.509 -11.013 1.00 0.00 C ATOM 0 H THR A 18 -6.840 -6.052 -7.456 1.00 0.00 H new ATOM 0 HA THR A 18 -6.049 -8.474 -8.628 1.00 0.00 H new ATOM 0 HB THR A 18 -6.835 -5.669 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.488 -6.798 -10.518 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.635 -5.998 -11.715 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.073 -5.916 -10.865 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.706 -7.486 -11.414 1.00 0.00 H new ATOM 243 N LEU A 19 -3.725 -6.259 -8.397 1.00 0.00 N ATOM 244 CA LEU A 19 -2.336 -6.048 -8.638 1.00 0.00 C ATOM 245 C LEU A 19 -1.472 -6.770 -7.616 1.00 0.00 C ATOM 246 O LEU A 19 -0.283 -6.951 -7.818 1.00 0.00 O ATOM 247 CB LEU A 19 -2.083 -4.569 -8.741 1.00 0.00 C ATOM 248 CG LEU A 19 -2.836 -3.931 -9.909 1.00 0.00 C ATOM 249 CD1 LEU A 19 -2.813 -2.447 -9.832 1.00 0.00 C ATOM 250 CD2 LEU A 19 -2.276 -4.397 -11.252 1.00 0.00 C ATOM 0 H LEU A 19 -4.179 -5.539 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.043 -6.492 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.383 -4.086 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.014 -4.393 -8.861 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.873 -4.259 -9.834 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.358 -2.030 -10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.283 -2.124 -8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.781 -2.097 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.833 -3.925 -12.062 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.225 -4.118 -11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.370 -5.480 -11.329 1.00 0.00 H new ATOM 262 N LEU A 20 -2.098 -7.212 -6.543 1.00 0.00 N ATOM 263 CA LEU A 20 -1.407 -7.984 -5.496 1.00 0.00 C ATOM 264 C LEU A 20 -1.379 -9.438 -5.896 1.00 0.00 C ATOM 265 O LEU A 20 -0.511 -10.200 -5.487 1.00 0.00 O ATOM 266 CB LEU A 20 -2.176 -7.895 -4.189 1.00 0.00 C ATOM 267 CG LEU A 20 -2.708 -6.530 -3.845 1.00 0.00 C ATOM 268 CD1 LEU A 20 -3.468 -6.571 -2.539 1.00 0.00 C ATOM 269 CD2 LEU A 20 -1.600 -5.488 -3.791 1.00 0.00 C ATOM 0 H LEU A 20 -3.089 -7.055 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.401 -7.583 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.013 -8.592 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.525 -8.227 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.393 -6.235 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.845 -5.575 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.304 -7.265 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.803 -6.903 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.026 -4.517 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.871 -5.772 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.109 -5.428 -4.762 1.00 0.00 H new ATOM 281 N LYS A 21 -2.350 -9.813 -6.700 1.00 0.00 N ATOM 282 CA LYS A 21 -2.508 -11.177 -7.123 1.00 0.00 C ATOM 283 C LYS A 21 -1.771 -11.441 -8.416 1.00 0.00 C ATOM 284 O LYS A 21 -1.542 -12.578 -8.820 1.00 0.00 O ATOM 285 CB LYS A 21 -3.981 -11.548 -7.145 1.00 0.00 C ATOM 286 CG LYS A 21 -4.889 -10.644 -7.898 1.00 0.00 C ATOM 287 CD LYS A 21 -4.917 -10.905 -9.408 1.00 0.00 C ATOM 288 CE LYS A 21 -5.452 -12.294 -9.754 1.00 0.00 C ATOM 289 NZ LYS A 21 -6.836 -12.528 -9.247 1.00 0.00 N ATOM 0 H LYS A 21 -3.051 -9.175 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.040 -11.844 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.073 -12.549 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.333 -11.602 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.899 -10.749 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.584 -9.612 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.536 -10.150 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.910 -10.797 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.441 -12.423 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.785 -13.049 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.203 -13.419 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.820 -12.586 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.451 -11.742 -9.541 1.00 0.00 H new ATOM 303 N THR A 22 -1.395 -10.362 -9.031 1.00 0.00 N ATOM 304 CA THR A 22 -0.590 -10.332 -10.178 1.00 0.00 C ATOM 305 C THR A 22 0.847 -10.700 -9.800 1.00 0.00 C ATOM 306 O THR A 22 1.324 -10.379 -8.699 1.00 0.00 O ATOM 307 CB THR A 22 -0.682 -8.919 -10.774 1.00 0.00 C ATOM 308 OG1 THR A 22 -1.946 -8.721 -11.439 1.00 0.00 O ATOM 309 CG2 THR A 22 0.452 -8.619 -11.676 1.00 0.00 C ATOM 0 H THR A 22 -1.667 -9.432 -8.714 1.00 0.00 H new ATOM 0 HA THR A 22 -0.925 -11.055 -10.922 1.00 0.00 H new ATOM 0 HB THR A 22 -0.621 -8.215 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.666 -8.706 -10.775 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.344 -7.610 -12.073 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.387 -8.692 -11.121 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.461 -9.334 -12.499 1.00 0.00 H new ATOM 317 N SER A 23 1.504 -11.378 -10.689 1.00 0.00 N ATOM 318 CA SER A 23 2.802 -11.848 -10.449 1.00 0.00 C ATOM 319 C SER A 23 3.834 -10.942 -11.116 1.00 0.00 C ATOM 320 O SER A 23 3.524 -10.165 -12.034 1.00 0.00 O ATOM 321 CB SER A 23 2.917 -13.258 -10.976 1.00 0.00 C ATOM 322 OG SER A 23 4.047 -13.935 -10.432 1.00 0.00 O ATOM 0 H SER A 23 1.135 -11.616 -11.610 1.00 0.00 H new ATOM 0 HA SER A 23 2.997 -11.842 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.010 -13.812 -10.734 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.996 -13.235 -12.063 1.00 0.00 H new ATOM 0 HG SER A 23 4.089 -14.845 -10.794 1.00 0.00 H new ATOM 328 N LEU A 24 5.037 -11.067 -10.656 1.00 0.00 N ATOM 329 CA LEU A 24 6.156 -10.325 -11.134 1.00 0.00 C ATOM 330 C LEU A 24 6.997 -11.100 -12.100 1.00 0.00 C ATOM 331 O LEU A 24 6.832 -12.316 -12.272 1.00 0.00 O ATOM 332 CB LEU A 24 6.990 -9.792 -9.973 1.00 0.00 C ATOM 333 CG LEU A 24 7.174 -10.687 -8.752 1.00 0.00 C ATOM 334 CD1 LEU A 24 7.863 -11.958 -9.121 1.00 0.00 C ATOM 335 CD2 LEU A 24 7.946 -9.942 -7.701 1.00 0.00 C ATOM 0 H LEU A 24 5.275 -11.716 -9.906 1.00 0.00 H new ATOM 0 HA LEU A 24 5.758 -9.476 -11.690 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.979 -9.546 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.537 -8.859 -9.638 1.00 0.00 H new ATOM 0 HG LEU A 24 6.195 -10.952 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.982 -12.578 -8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.267 -12.493 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.844 -11.732 -9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.079 -10.579 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.922 -9.661 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.398 -9.044 -7.415 1.00 0.00 H new ATOM 347 N ARG A 25 7.866 -10.393 -12.742 1.00 0.00 N ATOM 348 CA ARG A 25 8.812 -10.956 -13.656 1.00 0.00 C ATOM 349 C ARG A 25 10.137 -10.949 -12.937 1.00 0.00 C ATOM 350 O ARG A 25 10.176 -10.925 -11.708 1.00 0.00 O ATOM 351 CB ARG A 25 8.904 -10.053 -14.904 1.00 0.00 C ATOM 352 CG ARG A 25 7.565 -9.654 -15.484 1.00 0.00 C ATOM 353 CD ARG A 25 6.728 -10.856 -15.726 1.00 0.00 C ATOM 354 NE ARG A 25 5.367 -10.513 -16.113 1.00 0.00 N ATOM 355 CZ ARG A 25 4.708 -11.060 -17.127 1.00 0.00 C ATOM 356 NH1 ARG A 25 5.343 -11.791 -18.022 1.00 0.00 N ATOM 357 NH2 ARG A 25 3.421 -10.840 -17.264 1.00 0.00 N ATOM 0 H ARG A 25 7.943 -9.380 -12.645 1.00 0.00 H new ATOM 0 HA ARG A 25 8.529 -11.961 -13.970 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.458 -9.151 -14.645 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.479 -10.571 -15.671 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.052 -8.977 -14.800 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.713 -9.112 -16.418 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.184 -11.462 -16.509 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.704 -11.467 -14.824 1.00 0.00 H new ATOM 0 HE ARG A 25 4.885 -9.801 -15.565 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.349 -11.940 -17.938 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.829 -12.208 -18.798 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.930 -10.250 -16.592 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.912 -11.259 -18.042 1.00 0.00 H new ATOM 371 N LYS A 26 11.205 -10.980 -13.658 1.00 0.00 N ATOM 372 CA LYS A 26 12.475 -10.808 -13.061 1.00 0.00 C ATOM 373 C LYS A 26 13.169 -9.589 -13.639 1.00 0.00 C ATOM 374 O LYS A 26 14.395 -9.488 -13.640 1.00 0.00 O ATOM 375 CB LYS A 26 13.311 -12.091 -13.082 1.00 0.00 C ATOM 376 CG LYS A 26 13.465 -12.802 -14.420 1.00 0.00 C ATOM 377 CD LYS A 26 14.298 -14.085 -14.253 1.00 0.00 C ATOM 378 CE LYS A 26 13.672 -15.046 -13.228 1.00 0.00 C ATOM 379 NZ LYS A 26 14.499 -16.246 -12.994 1.00 0.00 N ATOM 0 H LYS A 26 11.219 -11.124 -14.668 1.00 0.00 H new ATOM 0 HA LYS A 26 12.338 -10.605 -11.999 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.307 -11.851 -12.711 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.869 -12.793 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.483 -13.048 -14.823 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.947 -12.139 -15.138 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.386 -14.588 -15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.308 -13.824 -13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.527 -14.520 -12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.686 -15.352 -13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.032 -16.859 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.617 -16.766 -13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.432 -15.960 -12.634 1.00 0.00 H new ATOM 393 N GLY A 27 12.348 -8.615 -14.044 1.00 0.00 N ATOM 394 CA GLY A 27 12.868 -7.361 -14.541 1.00 0.00 C ATOM 395 C GLY A 27 11.952 -6.151 -14.280 1.00 0.00 C ATOM 396 O GLY A 27 12.103 -5.117 -14.939 1.00 0.00 O ATOM 0 H GLY A 27 11.330 -8.680 -14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.838 -7.174 -14.080 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.037 -7.450 -15.614 1.00 0.00 H new ATOM 400 N ASP A 28 11.026 -6.244 -13.311 1.00 0.00 N ATOM 401 CA ASP A 28 10.104 -5.102 -13.050 1.00 0.00 C ATOM 402 C ASP A 28 10.638 -4.252 -11.915 1.00 0.00 C ATOM 403 O ASP A 28 11.747 -4.473 -11.405 1.00 0.00 O ATOM 404 CB ASP A 28 8.688 -5.538 -12.590 1.00 0.00 C ATOM 405 CG ASP A 28 7.958 -6.516 -13.441 1.00 0.00 C ATOM 406 OD1 ASP A 28 7.304 -6.112 -14.422 1.00 0.00 O ATOM 407 OD2 ASP A 28 7.971 -7.700 -13.089 1.00 0.00 O ATOM 0 H ASP A 28 10.890 -7.058 -12.712 1.00 0.00 H new ATOM 0 HA ASP A 28 10.041 -4.571 -14.000 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.776 -5.963 -11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.072 -4.643 -12.503 1.00 0.00 H new ATOM 412 N THR A 29 9.841 -3.289 -11.536 1.00 0.00 N ATOM 413 CA THR A 29 10.039 -2.481 -10.379 1.00 0.00 C ATOM 414 C THR A 29 8.702 -2.414 -9.665 1.00 0.00 C ATOM 415 O THR A 29 7.668 -2.109 -10.281 1.00 0.00 O ATOM 416 CB THR A 29 10.448 -1.049 -10.732 1.00 0.00 C ATOM 417 OG1 THR A 29 11.650 -1.061 -11.520 1.00 0.00 O ATOM 418 CG2 THR A 29 10.672 -0.260 -9.448 1.00 0.00 C ATOM 0 H THR A 29 8.999 -3.041 -12.055 1.00 0.00 H new ATOM 0 HA THR A 29 10.834 -2.917 -9.775 1.00 0.00 H new ATOM 0 HB THR A 29 9.656 -0.577 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.904 -0.141 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.964 0.761 -9.694 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.751 -0.244 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.462 -0.732 -8.864 1.00 0.00 H new ATOM 426 N TRP A 30 8.718 -2.729 -8.428 1.00 0.00 N ATOM 427 CA TRP A 30 7.566 -2.725 -7.604 1.00 0.00 C ATOM 428 C TRP A 30 7.756 -1.651 -6.566 1.00 0.00 C ATOM 429 O TRP A 30 8.872 -1.158 -6.377 1.00 0.00 O ATOM 430 CB TRP A 30 7.408 -4.106 -6.977 1.00 0.00 C ATOM 431 CG TRP A 30 6.923 -5.157 -7.961 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.489 -5.504 -9.153 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.774 -5.993 -7.818 1.00 0.00 C ATOM 434 NE1 TRP A 30 6.737 -6.460 -9.775 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.683 -6.786 -8.968 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.812 -6.137 -6.837 1.00 0.00 C ATOM 437 CZ2 TRP A 30 4.656 -7.713 -9.158 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.799 -7.053 -7.024 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.728 -7.830 -8.178 1.00 0.00 C ATOM 0 H TRP A 30 9.568 -3.009 -7.938 1.00 0.00 H new ATOM 0 HA TRP A 30 6.658 -2.513 -8.168 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.365 -4.421 -6.561 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.705 -4.043 -6.147 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.402 -5.083 -9.548 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.930 -6.864 -10.691 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.853 -5.541 -5.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.603 -8.315 -10.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.045 -7.171 -6.260 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.920 -8.537 -8.293 1.00 0.00 H new ATOM 450 N TYR A 31 6.717 -1.265 -5.929 1.00 0.00 N ATOM 451 CA TYR A 31 6.784 -0.185 -4.991 1.00 0.00 C ATOM 452 C TYR A 31 6.308 -0.597 -3.657 1.00 0.00 C ATOM 453 O TYR A 31 5.356 -1.390 -3.545 1.00 0.00 O ATOM 454 CB TYR A 31 5.982 0.978 -5.487 1.00 0.00 C ATOM 455 CG TYR A 31 6.598 1.643 -6.694 1.00 0.00 C ATOM 456 CD1 TYR A 31 6.325 1.207 -7.985 1.00 0.00 C ATOM 457 CD2 TYR A 31 7.475 2.694 -6.532 1.00 0.00 C ATOM 458 CE1 TYR A 31 6.918 1.809 -9.075 1.00 0.00 C ATOM 459 CE2 TYR A 31 8.063 3.303 -7.609 1.00 0.00 C ATOM 460 CZ TYR A 31 7.786 2.857 -8.878 1.00 0.00 C ATOM 461 OH TYR A 31 8.386 3.454 -9.955 1.00 0.00 O ATOM 0 H TYR A 31 5.792 -1.681 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 31 7.829 0.111 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.977 0.639 -5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.881 1.711 -4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.640 0.386 -8.137 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.703 3.044 -5.536 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.703 1.460 -10.074 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.741 4.130 -7.461 1.00 0.00 H new ATOM 0 HH TYR A 31 8.969 4.178 -9.645 1.00 0.00 H new ATOM 471 N LEU A 32 6.975 -0.093 -2.652 1.00 0.00 N ATOM 472 CA LEU A 32 6.634 -0.406 -1.305 1.00 0.00 C ATOM 473 C LEU A 32 5.693 0.565 -0.751 1.00 0.00 C ATOM 474 O LEU A 32 5.833 1.769 -0.908 1.00 0.00 O ATOM 475 CB LEU A 32 7.830 -0.542 -0.335 1.00 0.00 C ATOM 476 CG LEU A 32 8.796 -1.670 -0.603 1.00 0.00 C ATOM 477 CD1 LEU A 32 9.595 -1.383 -1.798 1.00 0.00 C ATOM 478 CD2 LEU A 32 9.704 -1.930 0.550 1.00 0.00 C ATOM 0 H LEU A 32 7.766 0.543 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 32 6.177 -1.393 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.388 0.394 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.437 -0.663 0.674 1.00 0.00 H new ATOM 0 HG LEU A 32 8.197 -2.566 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.287 -2.205 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.935 -1.268 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.158 -0.462 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.378 -2.751 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.286 -1.034 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.113 -2.196 1.426 1.00 0.00 H new ATOM 490 N VAL A 33 4.749 0.029 -0.129 1.00 0.00 N ATOM 491 CA VAL A 33 3.805 0.748 0.635 1.00 0.00 C ATOM 492 C VAL A 33 4.039 0.250 2.002 1.00 0.00 C ATOM 493 O VAL A 33 4.377 -0.926 2.159 1.00 0.00 O ATOM 494 CB VAL A 33 2.335 0.401 0.237 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.329 1.105 1.129 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.056 0.757 -1.189 1.00 0.00 C ATOM 0 H VAL A 33 4.589 -0.978 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 33 3.919 1.824 0.503 1.00 0.00 H new ATOM 0 HB VAL A 33 2.228 -0.676 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.319 0.838 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.484 0.800 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.461 2.184 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.025 0.502 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.210 1.826 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.730 0.202 -1.841 1.00 0.00 H new ATOM 506 N ASP A 34 3.949 1.073 2.975 1.00 0.00 N ATOM 507 CA ASP A 34 4.046 0.570 4.289 1.00 0.00 C ATOM 508 C ASP A 34 2.785 -0.153 4.567 1.00 0.00 C ATOM 509 O ASP A 34 1.682 0.303 4.227 1.00 0.00 O ATOM 510 CB ASP A 34 4.325 1.637 5.338 1.00 0.00 C ATOM 511 CG ASP A 34 3.285 2.690 5.393 1.00 0.00 C ATOM 512 OD1 ASP A 34 3.164 3.445 4.412 1.00 0.00 O ATOM 513 OD2 ASP A 34 2.609 2.795 6.448 1.00 0.00 O ATOM 0 H ASP A 34 3.811 2.080 2.891 1.00 0.00 H new ATOM 0 HA ASP A 34 4.907 -0.095 4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.404 1.163 6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.290 2.099 5.129 1.00 0.00 H new ATOM 518 N SER A 35 2.941 -1.268 5.158 1.00 0.00 N ATOM 519 CA SER A 35 1.878 -2.184 5.390 1.00 0.00 C ATOM 520 C SER A 35 0.828 -1.547 6.289 1.00 0.00 C ATOM 521 O SER A 35 -0.355 -1.801 6.171 1.00 0.00 O ATOM 522 CB SER A 35 2.506 -3.378 6.067 1.00 0.00 C ATOM 523 OG SER A 35 3.189 -2.978 7.252 1.00 0.00 O ATOM 0 H SER A 35 3.842 -1.590 5.511 1.00 0.00 H new ATOM 0 HA SER A 35 1.378 -2.471 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.737 -4.110 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.203 -3.865 5.385 1.00 0.00 H new ATOM 0 HG SER A 35 4.113 -2.737 7.031 1.00 0.00 H new ATOM 529 N ARG A 36 1.301 -0.647 7.100 1.00 0.00 N ATOM 530 CA ARG A 36 0.540 -0.005 8.116 1.00 0.00 C ATOM 531 C ARG A 36 -0.491 0.946 7.482 1.00 0.00 C ATOM 532 O ARG A 36 -1.683 0.908 7.835 1.00 0.00 O ATOM 533 CB ARG A 36 1.514 0.736 9.036 1.00 0.00 C ATOM 534 CG ARG A 36 2.722 -0.121 9.442 1.00 0.00 C ATOM 535 CD ARG A 36 2.332 -1.355 10.256 1.00 0.00 C ATOM 536 NE ARG A 36 3.270 -2.479 10.023 1.00 0.00 N ATOM 537 CZ ARG A 36 4.169 -2.970 10.902 1.00 0.00 C ATOM 538 NH1 ARG A 36 4.342 -2.395 12.084 1.00 0.00 N ATOM 539 NH2 ARG A 36 4.879 -4.050 10.588 1.00 0.00 N ATOM 0 H ARG A 36 2.270 -0.331 7.065 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.021 -0.732 8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.866 1.637 8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.985 1.058 9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.254 -0.438 8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.413 0.488 10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.320 -1.104 11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.321 -1.663 9.990 1.00 0.00 H new ATOM 0 HE ARG A 36 3.232 -2.926 9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.793 -1.573 12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.024 -2.774 12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.743 -4.505 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.559 -4.423 11.250 1.00 0.00 H new ATOM 553 N TRP A 37 -0.044 1.739 6.502 1.00 0.00 N ATOM 554 CA TRP A 37 -0.916 2.680 5.803 1.00 0.00 C ATOM 555 C TRP A 37 -1.926 1.905 4.984 1.00 0.00 C ATOM 556 O TRP A 37 -3.112 2.218 4.979 1.00 0.00 O ATOM 557 CB TRP A 37 -0.084 3.616 4.886 1.00 0.00 C ATOM 558 CG TRP A 37 -0.885 4.602 4.061 1.00 0.00 C ATOM 559 CD1 TRP A 37 -1.160 5.909 4.353 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.498 4.340 2.799 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.915 6.464 3.337 1.00 0.00 N ATOM 562 CE2 TRP A 37 -2.137 5.512 2.379 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.564 3.212 1.996 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.839 5.581 1.176 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.246 3.264 0.826 1.00 0.00 C ATOM 566 CH2 TRP A 37 -2.885 4.443 0.411 1.00 0.00 C ATOM 0 H TRP A 37 0.923 1.745 6.176 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.437 3.299 6.534 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.618 4.174 5.506 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.509 3.000 4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.836 6.429 5.243 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.252 7.426 3.306 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.075 2.298 2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.326 6.492 0.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.299 2.384 0.203 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.422 4.454 -0.526 1.00 0.00 H new ATOM 577 N PHE A 38 -1.451 0.884 4.301 1.00 0.00 N ATOM 578 CA PHE A 38 -2.285 0.069 3.461 1.00 0.00 C ATOM 579 C PHE A 38 -3.376 -0.630 4.276 1.00 0.00 C ATOM 580 O PHE A 38 -4.496 -0.777 3.821 1.00 0.00 O ATOM 581 CB PHE A 38 -1.424 -0.942 2.748 1.00 0.00 C ATOM 582 CG PHE A 38 -2.124 -1.709 1.647 1.00 0.00 C ATOM 583 CD1 PHE A 38 -2.881 -2.846 1.925 1.00 0.00 C ATOM 584 CD2 PHE A 38 -2.000 -1.305 0.331 1.00 0.00 C ATOM 585 CE1 PHE A 38 -3.496 -3.551 0.912 1.00 0.00 C ATOM 586 CE2 PHE A 38 -2.608 -2.008 -0.682 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.357 -3.134 -0.393 1.00 0.00 C ATOM 0 H PHE A 38 -0.471 0.600 4.317 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.783 0.705 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.562 -0.428 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.041 -1.653 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.987 -3.179 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.418 -0.426 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.085 -4.427 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.500 -1.680 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.833 -3.686 -1.190 1.00 0.00 H new ATOM 597 N LYS A 39 -3.054 -1.067 5.474 1.00 0.00 N ATOM 598 CA LYS A 39 -4.036 -1.704 6.304 1.00 0.00 C ATOM 599 C LYS A 39 -5.032 -0.724 6.884 1.00 0.00 C ATOM 600 O LYS A 39 -6.164 -1.084 7.188 1.00 0.00 O ATOM 601 CB LYS A 39 -3.372 -2.595 7.313 1.00 0.00 C ATOM 602 CG LYS A 39 -2.655 -3.718 6.597 1.00 0.00 C ATOM 603 CD LYS A 39 -1.864 -4.608 7.490 1.00 0.00 C ATOM 604 CE LYS A 39 -1.157 -5.642 6.632 1.00 0.00 C ATOM 605 NZ LYS A 39 -0.525 -6.717 7.408 1.00 0.00 N ATOM 0 H LYS A 39 -2.125 -0.991 5.887 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.648 -2.355 5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.665 -2.021 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.114 -3.002 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.390 -4.320 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.989 -3.289 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.138 -4.027 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.517 -5.097 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.876 -6.080 5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.397 -5.144 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.682 -7.628 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.496 -6.537 7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.942 -6.749 8.360 1.00 0.00 H new ATOM 619 N GLN A 40 -4.628 0.516 6.977 1.00 0.00 N ATOM 620 CA GLN A 40 -5.490 1.573 7.343 1.00 0.00 C ATOM 621 C GLN A 40 -6.467 1.813 6.187 1.00 0.00 C ATOM 622 O GLN A 40 -7.671 2.009 6.389 1.00 0.00 O ATOM 623 CB GLN A 40 -4.624 2.781 7.547 1.00 0.00 C ATOM 624 CG GLN A 40 -5.351 4.005 7.908 1.00 0.00 C ATOM 625 CD GLN A 40 -5.970 3.912 9.249 1.00 0.00 C ATOM 626 OE1 GLN A 40 -5.363 4.262 10.240 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.159 3.442 9.298 1.00 0.00 N ATOM 0 H GLN A 40 -3.668 0.809 6.794 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.057 1.353 8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.898 2.562 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.061 2.966 6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.666 4.853 7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.125 4.199 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.632 3.160 8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.634 3.349 10.196 1.00 0.00 H new ATOM 636 N TRP A 41 -5.910 1.782 4.992 1.00 0.00 N ATOM 637 CA TRP A 41 -6.633 1.917 3.752 1.00 0.00 C ATOM 638 C TRP A 41 -7.638 0.766 3.586 1.00 0.00 C ATOM 639 O TRP A 41 -8.769 0.981 3.151 1.00 0.00 O ATOM 640 CB TRP A 41 -5.614 1.975 2.595 1.00 0.00 C ATOM 641 CG TRP A 41 -6.189 1.947 1.219 1.00 0.00 C ATOM 642 CD1 TRP A 41 -6.656 2.999 0.496 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.320 0.799 0.390 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.103 2.564 -0.728 1.00 0.00 N ATOM 645 CE2 TRP A 41 -6.897 1.215 -0.817 1.00 0.00 C ATOM 646 CE3 TRP A 41 -6.011 -0.548 0.560 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.167 0.328 -1.850 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.278 -1.419 -0.463 1.00 0.00 C ATOM 649 CH2 TRP A 41 -6.848 -0.981 -1.651 1.00 0.00 C ATOM 0 H TRP A 41 -4.907 1.658 4.858 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.215 2.839 3.750 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.023 2.884 2.702 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.928 1.135 2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.673 4.025 0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.520 3.150 -1.451 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.569 -0.899 1.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.613 0.663 -2.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.041 -2.466 -0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.043 -1.696 -2.437 1.00 0.00 H new ATOM 660 N LYS A 42 -7.222 -0.440 3.981 1.00 0.00 N ATOM 661 CA LYS A 42 -8.055 -1.628 3.924 1.00 0.00 C ATOM 662 C LYS A 42 -9.343 -1.437 4.665 1.00 0.00 C ATOM 663 O LYS A 42 -10.424 -1.765 4.152 1.00 0.00 O ATOM 664 CB LYS A 42 -7.312 -2.775 4.530 1.00 0.00 C ATOM 665 CG LYS A 42 -6.451 -3.552 3.562 1.00 0.00 C ATOM 666 CD LYS A 42 -5.465 -4.458 4.278 1.00 0.00 C ATOM 667 CE LYS A 42 -6.022 -5.060 5.576 1.00 0.00 C ATOM 668 NZ LYS A 42 -7.175 -5.980 5.386 1.00 0.00 N ATOM 0 H LYS A 42 -6.288 -0.613 4.352 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.290 -1.827 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.680 -2.397 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.031 -3.457 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.088 -4.152 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.906 -2.857 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.173 -5.266 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.562 -3.891 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.223 -5.600 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.327 -4.248 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.932 -5.730 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.530 -5.895 4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.870 -6.959 5.560 1.00 0.00 H new ATOM 682 N LYS A 43 -9.212 -0.905 5.853 1.00 0.00 N ATOM 683 CA LYS A 43 -10.312 -0.611 6.718 1.00 0.00 C ATOM 684 C LYS A 43 -11.285 0.320 6.045 1.00 0.00 C ATOM 685 O LYS A 43 -12.483 0.041 5.945 1.00 0.00 O ATOM 686 CB LYS A 43 -9.764 0.080 7.939 1.00 0.00 C ATOM 687 CG LYS A 43 -8.924 -0.791 8.812 1.00 0.00 C ATOM 688 CD LYS A 43 -8.355 -0.004 9.949 1.00 0.00 C ATOM 689 CE LYS A 43 -7.849 -0.934 11.005 1.00 0.00 C ATOM 690 NZ LYS A 43 -7.191 -0.240 12.123 1.00 0.00 N ATOM 0 H LYS A 43 -8.306 -0.659 6.252 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.829 -1.536 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.170 0.937 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.596 0.469 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.524 -1.615 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.116 -1.231 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.545 0.633 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.118 0.654 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.682 -1.522 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.145 -1.634 10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.863 -0.938 12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.378 0.301 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.867 0.409 12.575 1.00 0.00 H new ATOM 704 N TYR A 44 -10.730 1.397 5.566 1.00 0.00 N ATOM 705 CA TYR A 44 -11.436 2.497 4.962 1.00 0.00 C ATOM 706 C TYR A 44 -12.246 2.116 3.707 1.00 0.00 C ATOM 707 O TYR A 44 -13.337 2.635 3.486 1.00 0.00 O ATOM 708 CB TYR A 44 -10.411 3.631 4.731 1.00 0.00 C ATOM 709 CG TYR A 44 -10.458 4.357 3.405 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.433 5.295 3.092 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.498 4.081 2.460 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.424 5.923 1.859 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.486 4.694 1.249 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.433 5.606 0.943 1.00 0.00 C ATOM 715 OH TYR A 44 -10.411 6.176 -0.299 1.00 0.00 O ATOM 0 H TYR A 44 -9.720 1.541 5.586 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.217 2.842 5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.542 4.369 5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.412 3.210 4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.200 5.535 3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.731 3.355 2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.181 6.653 1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.718 4.452 0.529 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.280 7.143 -0.213 1.00 0.00 H new ATOM 725 N VAL A 45 -11.731 1.224 2.922 1.00 0.00 N ATOM 726 CA VAL A 45 -12.428 0.815 1.679 1.00 0.00 C ATOM 727 C VAL A 45 -13.260 -0.434 1.846 1.00 0.00 C ATOM 728 O VAL A 45 -14.126 -0.716 1.020 1.00 0.00 O ATOM 729 CB VAL A 45 -11.479 0.563 0.480 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.835 1.806 -0.003 1.00 0.00 C ATOM 731 CG2 VAL A 45 -10.432 -0.443 0.828 1.00 0.00 C ATOM 0 H VAL A 45 -10.842 0.752 3.090 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.067 1.673 1.468 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.100 0.174 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.181 1.574 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.601 2.512 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.248 2.248 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.780 -0.601 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.842 -0.078 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.908 -1.385 1.100 1.00 0.00 H new ATOM 741 N GLY A 46 -13.011 -1.182 2.890 1.00 0.00 N ATOM 742 CA GLY A 46 -13.637 -2.427 3.023 1.00 0.00 C ATOM 743 C GLY A 46 -12.953 -3.464 2.183 1.00 0.00 C ATOM 744 O GLY A 46 -13.594 -4.320 1.601 1.00 0.00 O ATOM 0 H GLY A 46 -12.376 -0.931 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.625 -2.735 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.683 -2.346 2.727 1.00 0.00 H new ATOM 748 N PHE A 47 -11.638 -3.380 2.128 1.00 0.00 N ATOM 749 CA PHE A 47 -10.828 -4.252 1.313 1.00 0.00 C ATOM 750 C PHE A 47 -10.947 -5.700 1.756 1.00 0.00 C ATOM 751 O PHE A 47 -11.029 -6.611 0.927 1.00 0.00 O ATOM 752 CB PHE A 47 -9.371 -3.805 1.402 1.00 0.00 C ATOM 753 CG PHE A 47 -8.402 -4.636 0.620 1.00 0.00 C ATOM 754 CD1 PHE A 47 -8.166 -4.361 -0.700 1.00 0.00 C ATOM 755 CD2 PHE A 47 -7.727 -5.691 1.216 1.00 0.00 C ATOM 756 CE1 PHE A 47 -7.273 -5.113 -1.428 1.00 0.00 C ATOM 757 CE2 PHE A 47 -6.833 -6.451 0.498 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.606 -6.161 -0.829 1.00 0.00 C ATOM 0 H PHE A 47 -11.099 -2.694 2.657 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.182 -4.189 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.302 -2.773 1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.069 -3.812 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.687 -3.544 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.905 -5.919 2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.094 -4.883 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.312 -7.270 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.906 -6.754 -1.400 1.00 0.00 H new ATOM 768 N ASP A 48 -10.974 -5.906 3.048 1.00 0.00 N ATOM 769 CA ASP A 48 -10.972 -7.249 3.567 1.00 0.00 C ATOM 770 C ASP A 48 -12.405 -7.697 3.764 1.00 0.00 C ATOM 771 O ASP A 48 -13.337 -6.932 3.511 1.00 0.00 O ATOM 772 CB ASP A 48 -10.242 -7.296 4.885 1.00 0.00 C ATOM 773 CG ASP A 48 -9.597 -8.622 5.168 1.00 0.00 C ATOM 774 OD1 ASP A 48 -10.320 -9.601 5.422 1.00 0.00 O ATOM 775 OD2 ASP A 48 -8.362 -8.675 5.168 1.00 0.00 O ATOM 0 H ASP A 48 -10.997 -5.169 3.753 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.466 -7.910 2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.477 -6.520 4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.942 -7.063 5.687 1.00 0.00 H new ATOM 780 N SER A 49 -12.589 -8.883 4.248 1.00 0.00 N ATOM 781 CA SER A 49 -13.895 -9.429 4.408 1.00 0.00 C ATOM 782 C SER A 49 -14.530 -8.999 5.727 1.00 0.00 C ATOM 783 O SER A 49 -15.720 -8.726 5.774 1.00 0.00 O ATOM 784 CB SER A 49 -13.846 -10.942 4.287 1.00 0.00 C ATOM 785 OG SER A 49 -13.230 -11.323 3.059 1.00 0.00 O ATOM 0 H SER A 49 -11.834 -9.501 4.544 1.00 0.00 H new ATOM 0 HA SER A 49 -14.527 -9.036 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.291 -11.362 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.856 -11.350 4.337 1.00 0.00 H new ATOM 0 HG SER A 49 -13.204 -12.301 2.996 1.00 0.00 H new ATOM 791 N TRP A 50 -13.749 -8.901 6.793 1.00 0.00 N ATOM 792 CA TRP A 50 -14.265 -8.548 8.034 1.00 0.00 C ATOM 793 C TRP A 50 -13.864 -7.113 8.302 1.00 0.00 C ATOM 794 O TRP A 50 -14.516 -6.372 9.028 1.00 0.00 O ATOM 795 CB TRP A 50 -13.601 -9.484 9.043 1.00 0.00 C ATOM 796 CG TRP A 50 -12.072 -9.369 9.097 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.141 -10.013 8.353 1.00 0.00 C ATOM 798 CD2 TRP A 50 -11.363 -8.535 9.947 1.00 0.00 C ATOM 799 NE1 TRP A 50 -9.885 -9.637 8.736 1.00 0.00 N ATOM 800 CE2 TRP A 50 -10.000 -8.719 9.731 1.00 0.00 C ATOM 801 CE3 TRP A 50 -11.785 -7.672 10.859 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -9.034 -8.029 10.456 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -10.868 -6.958 11.603 1.00 0.00 C ATOM 804 CH2 TRP A 50 -9.491 -7.146 11.401 1.00 0.00 C ATOM 0 H TRP A 50 -12.743 -9.072 6.784 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.350 -8.630 8.091 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -14.005 -9.277 10.034 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.868 -10.512 8.798 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.361 -10.722 7.569 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.011 -9.986 8.343 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -12.843 -7.528 11.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.979 -8.181 10.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -11.211 -6.251 12.344 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.783 -6.589 11.997 1.00 0.00 H new ATOM 815 N ASP A 51 -12.837 -6.709 7.607 1.00 0.00 N ATOM 816 CA ASP A 51 -12.188 -5.460 7.851 1.00 0.00 C ATOM 817 C ASP A 51 -12.745 -4.456 6.947 1.00 0.00 C ATOM 818 O ASP A 51 -12.168 -4.111 5.906 1.00 0.00 O ATOM 819 CB ASP A 51 -10.680 -5.632 7.732 1.00 0.00 C ATOM 820 CG ASP A 51 -9.862 -4.450 8.203 1.00 0.00 C ATOM 821 OD1 ASP A 51 -10.288 -3.738 9.149 1.00 0.00 O ATOM 822 OD2 ASP A 51 -8.749 -4.236 7.641 1.00 0.00 O ATOM 0 H ASP A 51 -12.425 -7.249 6.846 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.370 -5.109 8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.384 -6.511 8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.434 -5.833 6.689 1.00 0.00 H new ATOM 827 N LYS A 52 -13.966 -4.081 7.291 1.00 0.00 N ATOM 828 CA LYS A 52 -14.708 -3.198 6.471 1.00 0.00 C ATOM 829 C LYS A 52 -15.868 -2.545 7.167 1.00 0.00 C ATOM 830 O LYS A 52 -16.690 -1.890 6.542 1.00 0.00 O ATOM 831 CB LYS A 52 -15.143 -3.941 5.287 1.00 0.00 C ATOM 832 CG LYS A 52 -16.140 -5.037 5.467 1.00 0.00 C ATOM 833 CD LYS A 52 -16.436 -5.519 4.102 1.00 0.00 C ATOM 834 CE LYS A 52 -17.420 -6.686 4.074 1.00 0.00 C ATOM 835 NZ LYS A 52 -17.737 -7.137 2.696 1.00 0.00 N ATOM 0 H LYS A 52 -14.446 -4.386 8.137 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.059 -2.368 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.560 -3.225 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.257 -4.371 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.738 -5.837 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.041 -4.673 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.842 -4.696 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.506 -5.825 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.003 -7.521 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.341 -6.391 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.409 -7.930 2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.161 -6.351 2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.864 -7.446 2.222 1.00 0.00 H new ATOM 849 N TYR A 53 -15.929 -2.711 8.453 1.00 0.00 N ATOM 850 CA TYR A 53 -16.913 -1.977 9.292 1.00 0.00 C ATOM 851 C TYR A 53 -16.596 -0.473 9.196 1.00 0.00 C ATOM 852 O TYR A 53 -17.449 0.398 9.370 1.00 0.00 O ATOM 853 CB TYR A 53 -16.785 -2.384 10.769 1.00 0.00 C ATOM 854 CG TYR A 53 -16.740 -3.870 11.034 1.00 0.00 C ATOM 855 CD1 TYR A 53 -17.805 -4.692 10.712 1.00 0.00 C ATOM 856 CD2 TYR A 53 -15.622 -4.444 11.625 1.00 0.00 C ATOM 857 CE1 TYR A 53 -17.757 -6.046 10.965 1.00 0.00 C ATOM 858 CE2 TYR A 53 -15.566 -5.797 11.883 1.00 0.00 C ATOM 859 CZ TYR A 53 -16.634 -6.594 11.551 1.00 0.00 C ATOM 860 OH TYR A 53 -16.580 -7.942 11.798 1.00 0.00 O ATOM 0 H TYR A 53 -15.321 -3.343 8.974 1.00 0.00 H new ATOM 0 HA TYR A 53 -17.918 -2.208 8.939 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -15.879 -1.933 11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -17.626 -1.960 11.318 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -18.687 -4.267 10.256 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -14.781 -3.819 11.887 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -18.595 -6.676 10.706 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.689 -6.227 12.343 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.720 -8.164 12.213 1.00 0.00 H new ATOM 870 N GLN A 54 -15.358 -0.223 8.852 1.00 0.00 N ATOM 871 CA GLN A 54 -14.760 1.070 8.767 1.00 0.00 C ATOM 872 C GLN A 54 -14.834 1.614 7.331 1.00 0.00 C ATOM 873 O GLN A 54 -14.177 2.596 7.001 1.00 0.00 O ATOM 874 CB GLN A 54 -13.306 0.894 9.153 1.00 0.00 C ATOM 875 CG GLN A 54 -13.099 0.252 10.535 1.00 0.00 C ATOM 876 CD GLN A 54 -12.104 -0.870 10.555 1.00 0.00 C ATOM 877 OE1 GLN A 54 -11.432 -1.108 11.562 1.00 0.00 O ATOM 878 NE2 GLN A 54 -11.989 -1.566 9.476 1.00 0.00 N ATOM 0 H GLN A 54 -14.706 -0.970 8.610 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.278 1.773 9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.813 0.279 8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.817 1.868 9.139 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.774 1.022 11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.057 -0.122 10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.560 -1.342 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.327 -2.341 9.437 1.00 0.00 H new ATOM 887 N MET A 55 -15.605 0.961 6.483 1.00 0.00 N ATOM 888 CA MET A 55 -15.763 1.366 5.119 1.00 0.00 C ATOM 889 C MET A 55 -16.383 2.754 5.055 1.00 0.00 C ATOM 890 O MET A 55 -17.517 2.955 5.498 1.00 0.00 O ATOM 891 CB MET A 55 -16.647 0.379 4.375 1.00 0.00 C ATOM 892 CG MET A 55 -16.855 0.764 2.949 1.00 0.00 C ATOM 893 SD MET A 55 -18.089 -0.236 2.074 1.00 0.00 S ATOM 894 CE MET A 55 -17.367 -1.872 2.175 1.00 0.00 C ATOM 0 H MET A 55 -16.139 0.129 6.733 1.00 0.00 H new ATOM 0 HA MET A 55 -14.780 1.389 4.648 1.00 0.00 H new ATOM 0 HB2 MET A 55 -16.196 -0.613 4.419 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.613 0.312 4.875 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.158 1.810 2.909 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.904 0.687 2.422 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.074 -2.606 1.789 1.00 0.00 H new ATOM 0 HE2 MET A 55 -16.452 -1.903 1.583 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.135 -2.104 3.214 1.00 0.00 H new ATOM 904 N GLY A 56 -15.623 3.696 4.546 1.00 0.00 N ATOM 905 CA GLY A 56 -16.074 5.059 4.440 1.00 0.00 C ATOM 906 C GLY A 56 -16.043 5.768 5.778 1.00 0.00 C ATOM 907 O GLY A 56 -16.738 6.772 5.984 1.00 0.00 O ATOM 0 H GLY A 56 -14.678 3.537 4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.445 5.596 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.089 5.076 4.043 1.00 0.00 H new ATOM 911 N ASP A 57 -15.262 5.249 6.703 1.00 0.00 N ATOM 912 CA ASP A 57 -15.178 5.847 8.016 1.00 0.00 C ATOM 913 C ASP A 57 -14.048 6.838 8.024 1.00 0.00 C ATOM 914 O ASP A 57 -13.030 6.642 7.367 1.00 0.00 O ATOM 915 CB ASP A 57 -14.923 4.804 9.112 1.00 0.00 C ATOM 916 CG ASP A 57 -15.382 5.270 10.462 1.00 0.00 C ATOM 917 OD1 ASP A 57 -14.960 6.335 10.906 1.00 0.00 O ATOM 918 OD2 ASP A 57 -16.205 4.587 11.083 1.00 0.00 O ATOM 0 H ASP A 57 -14.681 4.421 6.570 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.133 6.329 8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.438 3.878 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.858 4.576 9.152 1.00 0.00 H new ATOM 923 N GLN A 58 -14.204 7.873 8.789 1.00 0.00 N ATOM 924 CA GLN A 58 -13.207 8.900 8.880 1.00 0.00 C ATOM 925 C GLN A 58 -12.151 8.472 9.868 1.00 0.00 C ATOM 926 O GLN A 58 -11.055 9.002 9.902 1.00 0.00 O ATOM 927 CB GLN A 58 -13.816 10.211 9.294 1.00 0.00 C ATOM 928 CG GLN A 58 -14.441 10.204 10.676 1.00 0.00 C ATOM 929 CD GLN A 58 -14.966 11.550 11.085 1.00 0.00 C ATOM 930 OE1 GLN A 58 -16.121 11.875 10.844 1.00 0.00 O ATOM 931 NE2 GLN A 58 -14.134 12.335 11.706 1.00 0.00 N ATOM 0 H GLN A 58 -15.027 8.032 9.370 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.754 9.045 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.046 10.982 9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.578 10.490 8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.255 9.480 10.698 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.700 9.872 11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.179 12.025 11.887 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.437 13.260 12.011 1.00 0.00 H new ATOM 940 N ASN A 59 -12.508 7.499 10.678 1.00 0.00 N ATOM 941 CA ASN A 59 -11.616 6.913 11.668 1.00 0.00 C ATOM 942 C ASN A 59 -10.437 6.265 11.023 1.00 0.00 C ATOM 943 O ASN A 59 -9.368 6.129 11.621 1.00 0.00 O ATOM 944 CB ASN A 59 -12.341 5.852 12.495 1.00 0.00 C ATOM 945 CG ASN A 59 -13.221 6.388 13.609 1.00 0.00 C ATOM 946 OD1 ASN A 59 -12.970 7.461 14.171 1.00 0.00 O ATOM 947 ND2 ASN A 59 -14.248 5.648 13.946 1.00 0.00 N ATOM 0 H ASN A 59 -13.439 7.083 10.671 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.282 7.729 12.310 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.956 5.251 11.826 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.598 5.184 12.931 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.872 5.951 14.694 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.424 4.769 13.460 1.00 0.00 H new ATOM 954 N VAL A 60 -10.626 5.874 9.804 1.00 0.00 N ATOM 955 CA VAL A 60 -9.651 5.098 9.111 1.00 0.00 C ATOM 956 C VAL A 60 -9.184 5.767 7.868 1.00 0.00 C ATOM 957 O VAL A 60 -8.458 5.162 7.087 1.00 0.00 O ATOM 958 CB VAL A 60 -10.235 3.736 8.745 1.00 0.00 C ATOM 959 CG1 VAL A 60 -10.660 3.079 9.961 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.447 3.907 7.963 1.00 0.00 C ATOM 0 H VAL A 60 -11.463 6.085 9.260 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.798 4.982 9.780 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.480 3.173 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.081 2.103 9.719 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.804 2.951 10.624 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.416 3.687 10.458 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.856 2.930 7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.180 4.466 8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.216 4.454 7.049 1.00 0.00 H new ATOM 970 N TYR A 61 -9.602 6.989 7.680 1.00 0.00 N ATOM 971 CA TYR A 61 -9.226 7.718 6.472 1.00 0.00 C ATOM 972 C TYR A 61 -7.702 7.919 6.399 1.00 0.00 C ATOM 973 O TYR A 61 -7.087 8.519 7.297 1.00 0.00 O ATOM 974 CB TYR A 61 -10.028 9.046 6.263 1.00 0.00 C ATOM 975 CG TYR A 61 -9.385 10.344 6.739 1.00 0.00 C ATOM 976 CD1 TYR A 61 -8.569 11.081 5.881 1.00 0.00 C ATOM 977 CD2 TYR A 61 -9.611 10.844 8.007 1.00 0.00 C ATOM 978 CE1 TYR A 61 -7.996 12.265 6.281 1.00 0.00 C ATOM 979 CE2 TYR A 61 -9.047 12.035 8.415 1.00 0.00 C ATOM 980 CZ TYR A 61 -8.238 12.742 7.546 1.00 0.00 C ATOM 981 OH TYR A 61 -7.679 13.935 7.938 1.00 0.00 O ATOM 0 H TYR A 61 -10.195 7.506 8.330 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.514 7.091 5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.239 9.147 5.198 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.988 8.942 6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.384 10.714 4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.240 10.293 8.690 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.360 12.816 5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.237 12.413 9.409 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.947 14.134 8.859 1.00 0.00 H new ATOM 991 N PRO A 62 -7.058 7.339 5.388 1.00 0.00 N ATOM 992 CA PRO A 62 -5.671 7.489 5.182 1.00 0.00 C ATOM 993 C PRO A 62 -5.370 8.678 4.306 1.00 0.00 C ATOM 994 O PRO A 62 -5.852 8.803 3.170 1.00 0.00 O ATOM 995 CB PRO A 62 -5.242 6.194 4.495 1.00 0.00 C ATOM 996 CG PRO A 62 -6.495 5.567 3.997 1.00 0.00 C ATOM 997 CD PRO A 62 -7.635 6.470 4.385 1.00 0.00 C ATOM 0 HA PRO A 62 -5.139 7.664 6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.553 6.396 3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.724 5.534 5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.457 5.440 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.626 4.575 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.006 7.036 3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.477 5.904 4.782 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.674 9.576 4.880 1.00 0.00 N ATOM 1006 CA GLY A 63 -4.127 10.695 4.148 1.00 0.00 C ATOM 1007 C GLY A 63 -2.943 10.261 3.270 1.00 0.00 C ATOM 1008 O GLY A 63 -2.858 9.083 2.882 1.00 0.00 O ATOM 0 H GLY A 63 -4.454 9.576 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.903 11.138 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.801 11.466 4.847 1.00 0.00 H new ATOM 1012 N PRO A 64 -2.009 11.173 2.960 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.851 10.870 2.100 1.00 0.00 C ATOM 1014 C PRO A 64 -0.027 9.692 2.616 1.00 0.00 C ATOM 1015 O PRO A 64 0.133 9.501 3.836 1.00 0.00 O ATOM 1016 CB PRO A 64 -0.033 12.159 2.133 1.00 0.00 C ATOM 1017 CG PRO A 64 -1.034 13.206 2.446 1.00 0.00 C ATOM 1018 CD PRO A 64 -1.991 12.570 3.410 1.00 0.00 C ATOM 0 HA PRO A 64 -1.159 10.574 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.751 12.116 2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.456 12.347 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.560 14.084 2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.548 13.539 1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.649 12.660 4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.980 13.026 3.361 1.00 0.00 H new ATOM 1026 N ILE A 65 0.466 8.908 1.689 1.00 0.00 N ATOM 1027 CA ILE A 65 1.216 7.703 1.980 1.00 0.00 C ATOM 1028 C ILE A 65 2.526 8.037 2.685 1.00 0.00 C ATOM 1029 O ILE A 65 3.406 8.686 2.105 1.00 0.00 O ATOM 1030 CB ILE A 65 1.546 6.929 0.688 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.282 6.730 -0.158 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.149 5.583 1.058 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.542 6.146 -1.526 1.00 0.00 C ATOM 0 H ILE A 65 0.357 9.090 0.691 1.00 0.00 H new ATOM 0 HA ILE A 65 0.592 7.087 2.627 1.00 0.00 H new ATOM 0 HB ILE A 65 2.261 7.501 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.403 6.076 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.220 7.691 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.386 5.028 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.060 5.739 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.434 5.016 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.402 6.037 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.201 6.810 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.014 5.169 -1.421 1.00 0.00 H new ATOM 1045 N ASP A 66 2.636 7.619 3.921 1.00 0.00 N ATOM 1046 CA ASP A 66 3.833 7.834 4.717 1.00 0.00 C ATOM 1047 C ASP A 66 4.495 6.520 5.002 1.00 0.00 C ATOM 1048 O ASP A 66 4.037 5.773 5.851 1.00 0.00 O ATOM 1049 CB ASP A 66 3.505 8.527 6.042 1.00 0.00 C ATOM 1050 CG ASP A 66 4.713 8.623 6.948 1.00 0.00 C ATOM 1051 OD1 ASP A 66 5.612 9.420 6.674 1.00 0.00 O ATOM 1052 OD2 ASP A 66 4.795 7.874 7.932 1.00 0.00 O ATOM 0 H ASP A 66 1.897 7.116 4.412 1.00 0.00 H new ATOM 0 HA ASP A 66 4.503 8.477 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.122 9.528 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.713 7.978 6.551 1.00 0.00 H new ATOM 1057 N ASN A 67 5.577 6.246 4.329 1.00 0.00 N ATOM 1058 CA ASN A 67 6.262 4.964 4.459 1.00 0.00 C ATOM 1059 C ASN A 67 7.332 5.017 5.543 1.00 0.00 C ATOM 1060 O ASN A 67 8.210 4.150 5.588 1.00 0.00 O ATOM 1061 CB ASN A 67 6.949 4.573 3.145 1.00 0.00 C ATOM 1062 CG ASN A 67 6.045 4.435 1.929 1.00 0.00 C ATOM 1063 OD1 ASN A 67 6.469 4.676 0.808 1.00 0.00 O ATOM 1064 ND2 ASN A 67 4.813 4.067 2.117 1.00 0.00 N ATOM 0 H ASN A 67 6.018 6.893 3.675 1.00 0.00 H new ATOM 0 HA ASN A 67 5.501 4.229 4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.712 5.319 2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.465 3.625 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.181 3.975 1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.478 3.870 3.060 1.00 0.00 H new ATOM 1071 N SER A 68 7.233 5.997 6.451 1.00 0.00 N ATOM 1072 CA SER A 68 8.245 6.208 7.492 1.00 0.00 C ATOM 1073 C SER A 68 8.507 4.942 8.334 1.00 0.00 C ATOM 1074 O SER A 68 9.638 4.710 8.752 1.00 0.00 O ATOM 1075 CB SER A 68 7.871 7.406 8.388 1.00 0.00 C ATOM 1076 OG SER A 68 8.879 7.696 9.366 1.00 0.00 O ATOM 0 H SER A 68 6.458 6.659 6.484 1.00 0.00 H new ATOM 0 HA SER A 68 9.180 6.438 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.710 8.286 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.928 7.197 8.894 1.00 0.00 H new ATOM 0 HG SER A 68 8.598 8.463 9.908 1.00 0.00 H new ATOM 1082 N GLY A 69 7.490 4.110 8.522 1.00 0.00 N ATOM 1083 CA GLY A 69 7.642 2.896 9.311 1.00 0.00 C ATOM 1084 C GLY A 69 8.583 1.874 8.678 1.00 0.00 C ATOM 1085 O GLY A 69 9.065 0.965 9.350 1.00 0.00 O ATOM 0 H GLY A 69 6.555 4.254 8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.016 3.159 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.663 2.438 9.452 1.00 0.00 H new ATOM 1089 N LEU A 70 8.840 2.012 7.389 1.00 0.00 N ATOM 1090 CA LEU A 70 9.728 1.096 6.694 1.00 0.00 C ATOM 1091 C LEU A 70 11.139 1.667 6.688 1.00 0.00 C ATOM 1092 O LEU A 70 12.136 0.933 6.542 1.00 0.00 O ATOM 1093 CB LEU A 70 9.280 0.939 5.243 1.00 0.00 C ATOM 1094 CG LEU A 70 7.801 0.655 4.993 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.558 0.520 3.509 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.322 -0.583 5.756 1.00 0.00 C ATOM 0 H LEU A 70 8.447 2.748 6.803 1.00 0.00 H new ATOM 0 HA LEU A 70 9.704 0.132 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.543 1.852 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.859 0.130 4.797 1.00 0.00 H new ATOM 0 HG LEU A 70 7.217 1.494 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.502 0.317 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.839 1.446 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.157 -0.301 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.265 -0.750 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.896 -1.453 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.464 -0.429 6.826 1.00 0.00 H new ATOM 1108 N LEU A 71 11.206 2.967 6.868 1.00 0.00 N ATOM 1109 CA LEU A 71 12.434 3.717 6.763 1.00 0.00 C ATOM 1110 C LEU A 71 13.259 3.584 8.041 1.00 0.00 C ATOM 1111 O LEU A 71 12.715 3.604 9.151 1.00 0.00 O ATOM 1112 CB LEU A 71 12.119 5.205 6.467 1.00 0.00 C ATOM 1113 CG LEU A 71 11.184 5.484 5.257 1.00 0.00 C ATOM 1114 CD1 LEU A 71 11.002 6.971 5.024 1.00 0.00 C ATOM 1115 CD2 LEU A 71 11.697 4.796 4.003 1.00 0.00 C ATOM 0 H LEU A 71 10.394 3.541 7.095 1.00 0.00 H new ATOM 0 HA LEU A 71 13.023 3.312 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.666 5.642 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.061 5.727 6.299 1.00 0.00 H new ATOM 0 HG LEU A 71 10.206 5.068 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.342 7.127 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.562 7.427 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.970 7.429 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.025 5.007 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.694 5.167 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.740 3.720 4.170 1.00 0.00 H new ATOM 1127 N LYS A 72 14.553 3.407 7.874 1.00 0.00 N ATOM 1128 CA LYS A 72 15.488 3.299 8.982 1.00 0.00 C ATOM 1129 C LYS A 72 15.809 4.656 9.557 1.00 0.00 C ATOM 1130 O LYS A 72 15.275 5.700 9.136 1.00 0.00 O ATOM 1131 CB LYS A 72 16.838 2.724 8.528 1.00 0.00 C ATOM 1132 CG LYS A 72 16.836 1.321 8.019 1.00 0.00 C ATOM 1133 CD LYS A 72 18.252 0.861 7.694 1.00 0.00 C ATOM 1134 CE LYS A 72 19.108 0.722 8.948 1.00 0.00 C ATOM 1135 NZ LYS A 72 20.483 0.283 8.644 1.00 0.00 N ATOM 0 H LYS A 72 14.993 3.333 6.957 1.00 0.00 H new ATOM 0 HA LYS A 72 15.003 2.651 9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.235 3.369 7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.530 2.779 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.396 0.659 8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.213 1.254 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.212 -0.096 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.718 1.574 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.142 1.679 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.642 0.006 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.025 0.203 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.455 -0.642 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.939 0.978 8.019 1.00 0.00 H new ATOM 1180 N ALA A 76 15.523 8.739 4.319 1.00 0.00 N ATOM 1181 CA ALA A 76 14.181 8.390 3.937 1.00 0.00 C ATOM 1182 C ALA A 76 14.219 7.416 2.775 1.00 0.00 C ATOM 1183 O ALA A 76 13.206 7.062 2.197 1.00 0.00 O ATOM 1184 CB ALA A 76 13.432 9.617 3.534 1.00 0.00 C ATOM 0 HA ALA A 76 13.679 7.925 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.416 9.345 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.397 10.314 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.934 10.089 2.690 1.00 0.00 H new ATOM 1190 N GLN A 77 15.411 7.066 2.393 1.00 0.00 N ATOM 1191 CA GLN A 77 15.655 6.128 1.326 1.00 0.00 C ATOM 1192 C GLN A 77 16.310 4.912 1.882 1.00 0.00 C ATOM 1193 O GLN A 77 16.690 4.001 1.147 1.00 0.00 O ATOM 1194 CB GLN A 77 16.574 6.781 0.349 1.00 0.00 C ATOM 1195 CG GLN A 77 16.022 8.072 -0.134 1.00 0.00 C ATOM 1196 CD GLN A 77 14.868 7.892 -1.117 1.00 0.00 C ATOM 1197 OE1 GLN A 77 15.075 7.805 -2.327 1.00 0.00 O ATOM 1198 NE2 GLN A 77 13.653 7.792 -0.610 1.00 0.00 N ATOM 0 H GLN A 77 16.263 7.430 2.821 1.00 0.00 H new ATOM 0 HA GLN A 77 14.721 5.842 0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.544 6.950 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.740 6.115 -0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.678 8.657 0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.816 8.644 -0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.513 7.868 0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.854 7.638 -1.226 1.00 0.00 H new ATOM 1207 N SER A 78 16.465 4.909 3.170 1.00 0.00 N ATOM 1208 CA SER A 78 17.092 3.785 3.816 1.00 0.00 C ATOM 1209 C SER A 78 16.055 2.827 4.393 1.00 0.00 C ATOM 1210 O SER A 78 15.299 3.187 5.290 1.00 0.00 O ATOM 1211 CB SER A 78 18.097 4.245 4.865 1.00 0.00 C ATOM 1212 OG SER A 78 17.495 4.966 5.935 1.00 0.00 O ATOM 0 H SER A 78 16.172 5.661 3.794 1.00 0.00 H new ATOM 0 HA SER A 78 17.649 3.230 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.617 3.376 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.849 4.874 4.388 1.00 0.00 H new ATOM 0 HG SER A 78 16.585 4.633 6.082 1.00 0.00 H new ATOM 1218 N LEU A 79 15.987 1.652 3.831 1.00 0.00 N ATOM 1219 CA LEU A 79 15.076 0.632 4.231 1.00 0.00 C ATOM 1220 C LEU A 79 15.702 -0.305 5.229 1.00 0.00 C ATOM 1221 O LEU A 79 16.893 -0.636 5.125 1.00 0.00 O ATOM 1222 CB LEU A 79 14.695 -0.176 3.013 1.00 0.00 C ATOM 1223 CG LEU A 79 13.853 0.499 1.950 1.00 0.00 C ATOM 1224 CD1 LEU A 79 12.532 0.969 2.507 1.00 0.00 C ATOM 1225 CD2 LEU A 79 14.571 1.622 1.213 1.00 0.00 C ATOM 0 H LEU A 79 16.588 1.375 3.055 1.00 0.00 H new ATOM 0 HA LEU A 79 14.209 1.109 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.614 -0.523 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.157 -1.061 3.353 1.00 0.00 H new ATOM 0 HG LEU A 79 13.660 -0.270 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.954 1.448 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.977 0.115 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.710 1.683 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.902 2.055 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.869 2.392 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.456 1.224 0.717 1.00 0.00 H new ATOM 1237 N LYS A 80 14.916 -0.729 6.197 1.00 0.00 N ATOM 1238 CA LYS A 80 15.371 -1.718 7.164 1.00 0.00 C ATOM 1239 C LYS A 80 15.725 -3.037 6.479 1.00 0.00 C ATOM 1240 O LYS A 80 15.046 -3.479 5.551 1.00 0.00 O ATOM 1241 CB LYS A 80 14.356 -1.915 8.300 1.00 0.00 C ATOM 1242 CG LYS A 80 14.301 -0.743 9.273 1.00 0.00 C ATOM 1243 CD LYS A 80 13.208 -0.896 10.318 1.00 0.00 C ATOM 1244 CE LYS A 80 11.829 -0.814 9.693 1.00 0.00 C ATOM 1245 NZ LYS A 80 10.755 -0.855 10.697 1.00 0.00 N ATOM 0 H LYS A 80 13.959 -0.407 6.339 1.00 0.00 H new ATOM 0 HA LYS A 80 16.282 -1.334 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.366 -2.067 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.608 -2.822 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.265 -0.646 9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.138 0.179 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.322 -1.853 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.313 -0.117 11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.749 0.108 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.700 -1.640 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.983 -0.222 10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.393 -1.827 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.128 -0.546 11.617 1.00 0.00 H new ATOM 1259 N GLU A 81 16.796 -3.623 6.930 1.00 0.00 N ATOM 1260 CA GLU A 81 17.373 -4.859 6.379 1.00 0.00 C ATOM 1261 C GLU A 81 16.358 -5.979 6.438 1.00 0.00 C ATOM 1262 O GLU A 81 16.082 -6.666 5.463 1.00 0.00 O ATOM 1263 CB GLU A 81 18.600 -5.343 7.218 1.00 0.00 C ATOM 1264 CG GLU A 81 19.251 -4.326 8.172 1.00 0.00 C ATOM 1265 CD GLU A 81 18.348 -3.940 9.329 1.00 0.00 C ATOM 1266 OE1 GLU A 81 18.069 -4.792 10.197 1.00 0.00 O ATOM 1267 OE2 GLU A 81 17.827 -2.809 9.323 1.00 0.00 O ATOM 0 H GLU A 81 17.326 -3.256 7.720 1.00 0.00 H new ATOM 0 HA GLU A 81 17.673 -4.633 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.286 -6.205 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.365 -5.692 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.177 -4.745 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.519 -3.430 7.612 1.00 0.00 H new ATOM 1274 N HIS A 82 15.771 -6.097 7.586 1.00 0.00 N ATOM 1275 CA HIS A 82 14.917 -7.206 7.932 1.00 0.00 C ATOM 1276 C HIS A 82 13.473 -7.042 7.479 1.00 0.00 C ATOM 1277 O HIS A 82 12.612 -7.821 7.885 1.00 0.00 O ATOM 1278 CB HIS A 82 15.028 -7.501 9.429 1.00 0.00 C ATOM 1279 CG HIS A 82 16.359 -8.099 9.815 1.00 0.00 C ATOM 1280 ND1 HIS A 82 17.443 -7.357 10.254 1.00 0.00 N ATOM 1281 CD2 HIS A 82 16.770 -9.387 9.826 1.00 0.00 C ATOM 1282 CE1 HIS A 82 18.446 -8.166 10.514 1.00 0.00 C ATOM 1283 NE2 HIS A 82 18.065 -9.401 10.265 1.00 0.00 N ATOM 0 H HIS A 82 15.870 -5.410 8.334 1.00 0.00 H new ATOM 0 HA HIS A 82 15.276 -8.071 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.875 -6.578 9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 82 14.231 -8.185 9.719 1.00 0.00 H new ATOM 0 HD1 HIS A 82 17.460 -6.343 10.359 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.183 -10.247 9.540 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.420 -7.867 10.872 1.00 0.00 H new ATOM 1292 N LEU A 83 13.218 -6.057 6.628 1.00 0.00 N ATOM 1293 CA LEU A 83 11.877 -5.818 6.091 1.00 0.00 C ATOM 1294 C LEU A 83 11.354 -7.019 5.304 1.00 0.00 C ATOM 1295 O LEU A 83 11.964 -7.444 4.311 1.00 0.00 O ATOM 1296 CB LEU A 83 11.841 -4.604 5.160 1.00 0.00 C ATOM 1297 CG LEU A 83 12.016 -3.216 5.762 1.00 0.00 C ATOM 1298 CD1 LEU A 83 11.987 -2.179 4.658 1.00 0.00 C ATOM 1299 CD2 LEU A 83 10.925 -2.919 6.763 1.00 0.00 C ATOM 0 H LEU A 83 13.925 -5.404 6.290 1.00 0.00 H new ATOM 0 HA LEU A 83 11.245 -5.639 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.620 -4.740 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.886 -4.619 4.634 1.00 0.00 H new ATOM 0 HG LEU A 83 12.975 -3.182 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.112 -1.186 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.796 -2.374 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.032 -2.230 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.073 -1.922 7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 83 9.955 -2.965 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.958 -3.655 7.566 1.00 0.00 H new ATOM 1311 N ILE A 84 10.258 -7.552 5.765 1.00 0.00 N ATOM 1312 CA ILE A 84 9.534 -8.602 5.092 1.00 0.00 C ATOM 1313 C ILE A 84 8.386 -7.938 4.349 1.00 0.00 C ATOM 1314 O ILE A 84 8.184 -6.750 4.509 1.00 0.00 O ATOM 1315 CB ILE A 84 9.040 -9.655 6.137 1.00 0.00 C ATOM 1316 CG1 ILE A 84 10.239 -10.216 6.883 1.00 0.00 C ATOM 1317 CG2 ILE A 84 8.250 -10.795 5.494 1.00 0.00 C ATOM 1318 CD1 ILE A 84 9.892 -11.286 7.873 1.00 0.00 C ATOM 0 H ILE A 84 9.829 -7.262 6.644 1.00 0.00 H new ATOM 0 HA ILE A 84 10.160 -9.142 4.382 1.00 0.00 H new ATOM 0 HB ILE A 84 8.364 -9.147 6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.948 -10.620 6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.744 -9.402 7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 84 7.931 -11.497 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.374 -10.390 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.881 -11.312 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.800 -11.636 8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.208 -10.883 8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.415 -12.119 7.356 1.00 0.00 H new ATOM 1330 N ASP A 85 7.683 -8.691 3.524 1.00 0.00 N ATOM 1331 CA ASP A 85 6.560 -8.216 2.681 1.00 0.00 C ATOM 1332 C ASP A 85 5.360 -7.684 3.561 1.00 0.00 C ATOM 1333 O ASP A 85 5.631 -7.023 4.507 1.00 0.00 O ATOM 1334 CB ASP A 85 6.196 -9.349 1.741 1.00 0.00 C ATOM 1335 CG ASP A 85 5.143 -9.010 0.711 1.00 0.00 C ATOM 1336 OD1 ASP A 85 5.491 -8.429 -0.334 1.00 0.00 O ATOM 1337 OD2 ASP A 85 3.954 -9.334 0.939 1.00 0.00 O ATOM 0 H ASP A 85 7.871 -9.687 3.406 1.00 0.00 H new ATOM 0 HA ASP A 85 6.846 -7.351 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.098 -9.675 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.845 -10.194 2.333 1.00 0.00 H new ATOM 1342 N GLU A 86 4.048 -7.956 3.240 1.00 0.00 N ATOM 1343 CA GLU A 86 2.831 -7.354 3.956 1.00 0.00 C ATOM 1344 C GLU A 86 2.911 -7.232 5.493 1.00 0.00 C ATOM 1345 O GLU A 86 2.153 -6.482 6.123 1.00 0.00 O ATOM 1346 CB GLU A 86 1.503 -7.951 3.471 1.00 0.00 C ATOM 1347 CG GLU A 86 1.182 -9.375 3.892 1.00 0.00 C ATOM 1348 CD GLU A 86 0.641 -9.456 5.300 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -0.361 -8.793 5.609 1.00 0.00 O ATOM 1350 OE2 GLU A 86 1.227 -10.155 6.128 1.00 0.00 O ATOM 0 H GLU A 86 3.791 -8.592 2.485 1.00 0.00 H new ATOM 0 HA GLU A 86 2.862 -6.311 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.696 -7.306 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.494 -7.911 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.453 -9.799 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.083 -9.984 3.817 1.00 0.00 H new ATOM 1357 N LEU A 87 3.773 -7.995 6.055 1.00 0.00 N ATOM 1358 CA LEU A 87 4.139 -7.914 7.447 1.00 0.00 C ATOM 1359 C LEU A 87 4.731 -6.534 7.744 1.00 0.00 C ATOM 1360 O LEU A 87 4.216 -5.772 8.570 1.00 0.00 O ATOM 1361 CB LEU A 87 5.207 -8.953 7.714 1.00 0.00 C ATOM 1362 CG LEU A 87 4.821 -10.372 7.447 1.00 0.00 C ATOM 1363 CD1 LEU A 87 5.935 -11.261 7.861 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.556 -10.726 8.170 1.00 0.00 C ATOM 0 H LEU A 87 4.272 -8.728 5.550 1.00 0.00 H new ATOM 0 HA LEU A 87 3.261 -8.081 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.079 -8.714 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.514 -8.871 8.757 1.00 0.00 H new ATOM 0 HG LEU A 87 4.634 -10.502 6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.662 -12.299 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.831 -11.011 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.131 -11.127 8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.295 -11.763 7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.702 -10.598 9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.750 -10.074 7.833 1.00 0.00 H new ATOM 1376 N ASP A 88 5.782 -6.207 7.033 1.00 0.00 N ATOM 1377 CA ASP A 88 6.481 -4.951 7.207 1.00 0.00 C ATOM 1378 C ASP A 88 6.043 -3.949 6.193 1.00 0.00 C ATOM 1379 O ASP A 88 5.659 -2.851 6.546 1.00 0.00 O ATOM 1380 CB ASP A 88 7.999 -5.098 7.122 1.00 0.00 C ATOM 1381 CG ASP A 88 8.631 -5.702 8.333 1.00 0.00 C ATOM 1382 OD1 ASP A 88 8.819 -4.975 9.330 1.00 0.00 O ATOM 1383 OD2 ASP A 88 9.003 -6.892 8.302 1.00 0.00 O ATOM 0 H ASP A 88 6.182 -6.807 6.311 1.00 0.00 H new ATOM 0 HA ASP A 88 6.226 -4.609 8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.244 -5.712 6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.438 -4.115 6.951 1.00 0.00 H new ATOM 1388 N TYR A 89 6.024 -4.338 4.956 1.00 0.00 N ATOM 1389 CA TYR A 89 5.710 -3.415 3.842 1.00 0.00 C ATOM 1390 C TYR A 89 4.768 -4.104 2.925 1.00 0.00 C ATOM 1391 O TYR A 89 4.176 -5.019 3.323 1.00 0.00 O ATOM 1392 CB TYR A 89 6.996 -2.993 3.080 1.00 0.00 C ATOM 1393 CG TYR A 89 7.818 -4.112 2.449 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.327 -4.855 1.399 1.00 0.00 C ATOM 1395 CD2 TYR A 89 9.087 -4.378 2.884 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.057 -5.833 0.800 1.00 0.00 C ATOM 1397 CE2 TYR A 89 9.854 -5.377 2.289 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.324 -6.098 1.240 1.00 0.00 C ATOM 1399 OH TYR A 89 10.066 -7.085 0.625 1.00 0.00 O ATOM 0 H TYR A 89 6.221 -5.295 4.662 1.00 0.00 H new ATOM 0 HA TYR A 89 5.258 -2.506 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.711 -2.295 2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.638 -2.448 3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.329 -4.654 1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.501 -3.805 3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.638 -6.398 -0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.852 -5.584 2.645 1.00 0.00 H new ATOM 0 HH TYR A 89 10.945 -7.149 1.054 1.00 0.00 H new ATOM 1409 N ILE A 90 4.565 -3.604 1.736 1.00 0.00 N ATOM 1410 CA ILE A 90 3.855 -4.320 0.718 1.00 0.00 C ATOM 1411 C ILE A 90 4.454 -3.937 -0.596 1.00 0.00 C ATOM 1412 O ILE A 90 4.951 -2.824 -0.745 1.00 0.00 O ATOM 1413 CB ILE A 90 2.354 -3.982 0.671 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.704 -4.067 2.029 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.632 -4.876 -0.287 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.245 -3.999 1.967 1.00 0.00 C ATOM 0 H ILE A 90 4.891 -2.682 1.447 1.00 0.00 H new ATOM 0 HA ILE A 90 3.941 -5.385 0.936 1.00 0.00 H new ATOM 0 HB ILE A 90 2.281 -2.950 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.999 -5.000 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.074 -3.255 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.574 -4.616 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.049 -4.751 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.746 -5.914 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.165 -4.065 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.056 -3.055 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.133 -4.826 1.366 1.00 0.00 H new ATOM 1428 N LEU A 91 4.410 -4.849 -1.515 1.00 0.00 N ATOM 1429 CA LEU A 91 4.899 -4.658 -2.826 1.00 0.00 C ATOM 1430 C LEU A 91 3.837 -4.793 -3.851 1.00 0.00 C ATOM 1431 O LEU A 91 3.143 -5.816 -3.928 1.00 0.00 O ATOM 1432 CB LEU A 91 6.077 -5.529 -3.093 1.00 0.00 C ATOM 1433 CG LEU A 91 7.312 -4.961 -2.467 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.432 -5.851 -2.595 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.662 -3.697 -3.113 1.00 0.00 C ATOM 0 H LEU A 91 4.017 -5.777 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 91 5.244 -3.627 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.892 -6.529 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.223 -5.631 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 91 7.096 -4.811 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.309 -5.402 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.203 -6.797 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.635 -6.031 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.562 -3.290 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.844 -3.869 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.842 -2.989 -2.995 1.00 0.00 H new ATOM 1447 N LEU A 92 3.681 -3.745 -4.605 1.00 0.00 N ATOM 1448 CA LEU A 92 2.687 -3.659 -5.631 1.00 0.00 C ATOM 1449 C LEU A 92 3.383 -3.200 -6.877 1.00 0.00 C ATOM 1450 O LEU A 92 4.460 -2.606 -6.782 1.00 0.00 O ATOM 1451 CB LEU A 92 1.588 -2.621 -5.284 1.00 0.00 C ATOM 1452 CG LEU A 92 0.954 -2.686 -3.898 1.00 0.00 C ATOM 1453 CD1 LEU A 92 1.877 -2.092 -2.870 1.00 0.00 C ATOM 1454 CD2 LEU A 92 -0.379 -1.990 -3.884 1.00 0.00 C ATOM 0 H LEU A 92 4.256 -2.907 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 92 2.209 -4.631 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.016 -1.627 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.791 -2.720 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 92 0.788 -3.734 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.410 -2.146 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.814 -2.649 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.077 -1.050 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.810 -2.050 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.246 -0.944 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.048 -2.471 -4.598 1.00 0.00 H new ATOM 1466 N PRO A 93 2.814 -3.466 -8.057 1.00 0.00 N ATOM 1467 CA PRO A 93 3.367 -2.995 -9.310 1.00 0.00 C ATOM 1468 C PRO A 93 3.343 -1.496 -9.357 1.00 0.00 C ATOM 1469 O PRO A 93 2.719 -0.853 -8.484 1.00 0.00 O ATOM 1470 CB PRO A 93 2.386 -3.471 -10.370 1.00 0.00 C ATOM 1471 CG PRO A 93 1.575 -4.517 -9.748 1.00 0.00 C ATOM 1472 CD PRO A 93 1.581 -4.243 -8.264 1.00 0.00 C ATOM 0 HA PRO A 93 4.389 -3.349 -9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.759 -2.649 -10.715 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.914 -3.857 -11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.558 -4.503 -10.140 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.986 -5.504 -9.961 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.698 -3.682 -7.957 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.589 -5.167 -7.686 1.00 0.00 H new ATOM 1480 N THR A 94 4.016 -0.949 -10.355 1.00 0.00 N ATOM 1481 CA THR A 94 3.952 0.459 -10.692 1.00 0.00 C ATOM 1482 C THR A 94 2.541 1.001 -10.483 1.00 0.00 C ATOM 1483 O THR A 94 2.327 1.874 -9.661 1.00 0.00 O ATOM 1484 CB THR A 94 4.318 0.618 -12.183 1.00 0.00 C ATOM 1485 OG1 THR A 94 5.713 0.364 -12.395 1.00 0.00 O ATOM 1486 CG2 THR A 94 3.886 1.974 -12.742 1.00 0.00 C ATOM 0 H THR A 94 4.634 -1.484 -10.965 1.00 0.00 H new ATOM 0 HA THR A 94 4.642 1.009 -10.052 1.00 0.00 H new ATOM 0 HB THR A 94 3.758 -0.132 -12.742 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.924 0.468 -13.346 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.165 2.039 -13.794 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.805 2.080 -12.646 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.380 2.771 -12.186 1.00 0.00 H new ATOM 1494 N GLU A 95 1.601 0.359 -11.152 1.00 0.00 N ATOM 1495 CA GLU A 95 0.212 0.752 -11.205 1.00 0.00 C ATOM 1496 C GLU A 95 -0.416 0.793 -9.860 1.00 0.00 C ATOM 1497 O GLU A 95 -1.225 1.642 -9.610 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.525 -0.221 -12.058 1.00 0.00 C ATOM 1499 CG GLU A 95 0.126 -0.407 -13.398 1.00 0.00 C ATOM 1500 CD GLU A 95 0.146 0.867 -14.233 1.00 0.00 C ATOM 1501 OE1 GLU A 95 0.854 1.829 -13.896 1.00 0.00 O ATOM 1502 OE2 GLU A 95 -0.585 0.928 -15.241 1.00 0.00 O ATOM 0 H GLU A 95 1.796 -0.483 -11.693 1.00 0.00 H new ATOM 0 HA GLU A 95 0.163 1.759 -11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.580 -1.182 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.549 0.124 -12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.148 -0.756 -13.254 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.402 -1.186 -13.947 1.00 0.00 H new ATOM 1509 N GLY A 96 -0.038 -0.135 -9.005 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.572 -0.172 -7.687 1.00 0.00 C ATOM 1511 C GLY A 96 -0.279 1.115 -6.966 1.00 0.00 C ATOM 1512 O GLY A 96 -1.185 1.882 -6.673 1.00 0.00 O ATOM 0 H GLY A 96 0.639 -0.869 -9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.649 -0.336 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.143 -1.010 -7.137 1.00 0.00 H new ATOM 1516 N TRP A 97 0.998 1.373 -6.784 1.00 0.00 N ATOM 1517 CA TRP A 97 1.520 2.581 -6.155 1.00 0.00 C ATOM 1518 C TRP A 97 0.943 3.827 -6.828 1.00 0.00 C ATOM 1519 O TRP A 97 0.433 4.728 -6.175 1.00 0.00 O ATOM 1520 CB TRP A 97 3.015 2.541 -6.369 1.00 0.00 C ATOM 1521 CG TRP A 97 3.733 3.750 -5.937 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.224 4.712 -6.745 1.00 0.00 C ATOM 1523 CD2 TRP A 97 4.036 4.128 -4.608 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.824 5.682 -6.004 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.726 5.343 -4.674 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.788 3.552 -3.368 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.175 5.998 -3.538 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.227 4.197 -2.243 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.919 5.411 -2.328 1.00 0.00 C ATOM 0 H TRP A 97 1.732 0.729 -7.078 1.00 0.00 H new ATOM 0 HA TRP A 97 1.255 2.623 -5.099 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.422 1.683 -5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.212 2.378 -7.429 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.151 4.712 -7.823 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.272 6.521 -6.373 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.259 2.613 -3.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.707 6.936 -3.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 4.036 3.762 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.257 5.893 -1.423 1.00 0.00 H new ATOM 1540 N ASN A 98 1.032 3.826 -8.128 1.00 0.00 N ATOM 1541 CA ASN A 98 0.555 4.827 -9.013 1.00 0.00 C ATOM 1542 C ASN A 98 -0.927 5.139 -8.780 1.00 0.00 C ATOM 1543 O ASN A 98 -1.331 6.277 -8.934 1.00 0.00 O ATOM 1544 CB ASN A 98 0.869 4.285 -10.389 1.00 0.00 C ATOM 1545 CG ASN A 98 0.458 5.039 -11.586 1.00 0.00 C ATOM 1546 OD1 ASN A 98 0.209 6.248 -11.568 1.00 0.00 O ATOM 1547 ND2 ASN A 98 0.482 4.330 -12.677 1.00 0.00 N ATOM 0 H ASN A 98 1.479 3.057 -8.628 1.00 0.00 H new ATOM 0 HA ASN A 98 1.031 5.796 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.949 4.149 -10.446 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.419 3.295 -10.459 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.289 4.771 -13.576 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.694 3.333 -12.633 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.721 4.148 -8.353 1.00 0.00 N ATOM 1555 CA LYS A 99 -3.089 4.374 -8.002 1.00 0.00 C ATOM 1556 C LYS A 99 -3.184 4.995 -6.635 1.00 0.00 C ATOM 1557 O LYS A 99 -3.816 6.018 -6.482 1.00 0.00 O ATOM 1558 CB LYS A 99 -3.841 3.075 -8.055 1.00 0.00 C ATOM 1559 CG LYS A 99 -4.074 2.603 -9.458 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.511 1.173 -9.489 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.439 0.641 -10.897 1.00 0.00 C ATOM 1562 NZ LYS A 99 -5.468 1.238 -11.770 1.00 0.00 N ATOM 0 H LYS A 99 -1.415 3.180 -8.249 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.535 5.067 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.285 2.314 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.800 3.193 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.832 3.227 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.159 2.718 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.877 0.576 -8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.530 1.087 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.451 0.844 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.561 -0.442 -10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.426 0.795 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.409 1.081 -11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.296 2.260 -11.861 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.498 4.415 -5.652 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.536 4.940 -4.282 1.00 0.00 C ATOM 1578 C LEU A 100 -2.082 6.404 -4.232 1.00 0.00 C ATOM 1579 O LEU A 100 -2.719 7.258 -3.598 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.717 4.065 -3.293 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.273 2.668 -2.942 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -3.770 2.640 -3.013 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -1.684 1.589 -3.791 1.00 0.00 C ATOM 0 H LEU A 100 -1.913 3.588 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.576 4.899 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.718 3.934 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.604 4.624 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.975 2.468 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.128 1.642 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.181 3.362 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.091 2.895 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.109 0.627 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.910 1.787 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.603 1.565 -3.651 1.00 0.00 H new ATOM 1595 N VAL A 101 -1.036 6.692 -4.959 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.491 8.001 -5.077 1.00 0.00 C ATOM 1597 C VAL A 101 -1.417 8.918 -5.923 1.00 0.00 C ATOM 1598 O VAL A 101 -1.481 10.126 -5.704 1.00 0.00 O ATOM 1599 CB VAL A 101 0.932 7.895 -5.674 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.452 9.217 -6.079 1.00 0.00 C ATOM 1601 CG2 VAL A 101 1.871 7.286 -4.660 1.00 0.00 C ATOM 0 H VAL A 101 -0.529 5.992 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.422 8.464 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 101 0.871 7.262 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.454 9.103 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.795 9.651 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.492 9.874 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.871 7.214 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.901 7.913 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.519 6.290 -4.391 1.00 0.00 H new ATOM 1611 N SER A 102 -2.170 8.332 -6.831 1.00 0.00 N ATOM 1612 CA SER A 102 -3.092 9.079 -7.658 1.00 0.00 C ATOM 1613 C SER A 102 -4.259 9.544 -6.795 1.00 0.00 C ATOM 1614 O SER A 102 -4.808 10.617 -6.998 1.00 0.00 O ATOM 1615 CB SER A 102 -3.616 8.176 -8.800 1.00 0.00 C ATOM 1616 OG SER A 102 -4.417 8.872 -9.748 1.00 0.00 O ATOM 0 H SER A 102 -2.160 7.329 -7.015 1.00 0.00 H new ATOM 0 HA SER A 102 -2.586 9.941 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.768 7.724 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.199 7.361 -8.371 1.00 0.00 H new ATOM 0 HG SER A 102 -4.716 8.250 -10.443 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.611 8.717 -5.833 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.730 8.951 -4.986 1.00 0.00 C ATOM 1624 C TRP A 103 -5.387 9.866 -3.817 1.00 0.00 C ATOM 1625 O TRP A 103 -6.034 10.900 -3.631 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.281 7.608 -4.482 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.665 6.654 -5.589 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -6.991 6.972 -6.877 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.731 5.229 -5.510 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.304 5.843 -7.579 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -7.135 4.759 -6.773 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.498 4.309 -4.498 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.307 3.409 -7.049 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.662 2.970 -4.775 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -7.062 2.533 -6.041 1.00 0.00 C ATOM 0 H TRP A 103 -4.110 7.853 -5.625 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.494 9.463 -5.571 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.532 7.133 -3.849 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.154 7.795 -3.857 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -7.000 7.973 -7.282 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.614 5.816 -8.550 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.195 4.636 -3.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.622 3.070 -8.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.478 2.243 -3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.179 1.475 -6.221 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.362 9.526 -3.050 1.00 0.00 N ATOM 1647 CA TYR A 104 -4.076 10.284 -1.834 1.00 0.00 C ATOM 1648 C TYR A 104 -2.660 10.774 -1.728 1.00 0.00 C ATOM 1649 O TYR A 104 -2.270 11.325 -0.699 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.504 9.514 -0.584 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.999 9.464 -0.451 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.686 10.582 -0.029 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.727 8.328 -0.777 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -8.046 10.584 0.076 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -8.103 8.320 -0.670 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.756 9.458 -0.243 1.00 0.00 C ATOM 1657 OH TYR A 104 -10.130 9.474 -0.137 1.00 0.00 O ATOM 0 H TYR A 104 -3.727 8.751 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.682 11.187 -1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.108 8.499 -0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.075 9.986 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.135 11.476 0.224 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.212 7.442 -1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.562 11.472 0.410 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.664 7.431 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.460 10.382 -0.300 1.00 0.00 H new ATOM 1667 N THR A 105 -1.918 10.661 -2.814 1.00 0.00 N ATOM 1668 CA THR A 105 -0.579 11.091 -2.932 1.00 0.00 C ATOM 1669 C THR A 105 0.419 10.518 -1.927 1.00 0.00 C ATOM 1670 O THR A 105 0.076 9.803 -0.979 1.00 0.00 O ATOM 1671 CB THR A 105 -0.452 12.610 -3.074 1.00 0.00 C ATOM 1672 OG1 THR A 105 -1.196 13.327 -2.062 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.840 13.057 -4.457 1.00 0.00 C ATOM 0 H THR A 105 -2.274 10.240 -3.672 1.00 0.00 H new ATOM 0 HA THR A 105 -0.270 10.637 -3.874 1.00 0.00 H new ATOM 0 HB THR A 105 0.599 12.855 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.314 12.754 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.741 14.140 -4.531 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.187 12.582 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.874 12.773 -4.654 1.00 0.00 H new ATOM 1681 N LEU A 106 1.642 10.812 -2.176 1.00 0.00 N ATOM 1682 CA LEU A 106 2.729 10.383 -1.373 1.00 0.00 C ATOM 1683 C LEU A 106 3.008 11.535 -0.395 1.00 0.00 C ATOM 1684 O LEU A 106 2.668 12.685 -0.699 1.00 0.00 O ATOM 1685 CB LEU A 106 3.916 10.220 -2.327 1.00 0.00 C ATOM 1686 CG LEU A 106 5.021 9.181 -2.016 1.00 0.00 C ATOM 1687 CD1 LEU A 106 6.279 9.511 -2.769 1.00 0.00 C ATOM 1688 CD2 LEU A 106 5.316 9.003 -0.541 1.00 0.00 C ATOM 0 H LEU A 106 1.925 11.380 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 106 2.543 9.456 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.511 9.979 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.400 11.193 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 106 4.627 8.222 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.045 8.771 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.075 9.502 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.630 10.500 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.101 8.258 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.645 9.952 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.414 8.671 -0.027 1.00 0.00 H new ATOM 1700 N MET A 107 3.562 11.246 0.768 1.00 0.00 N ATOM 1701 CA MET A 107 3.983 12.304 1.681 1.00 0.00 C ATOM 1702 C MET A 107 5.086 13.106 1.073 1.00 0.00 C ATOM 1703 O MET A 107 5.831 12.624 0.206 1.00 0.00 O ATOM 1704 CB MET A 107 4.467 11.756 3.006 1.00 0.00 C ATOM 1705 CG MET A 107 3.374 11.245 3.884 1.00 0.00 C ATOM 1706 SD MET A 107 2.461 12.528 4.747 1.00 0.00 S ATOM 1707 CE MET A 107 3.597 12.796 6.101 1.00 0.00 C ATOM 0 H MET A 107 3.732 10.298 1.105 1.00 0.00 H new ATOM 0 HA MET A 107 3.108 12.929 1.860 1.00 0.00 H new ATOM 0 HB2 MET A 107 5.175 10.949 2.818 1.00 0.00 H new ATOM 0 HB3 MET A 107 5.009 12.539 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 107 2.678 10.665 3.278 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.802 10.563 4.619 1.00 0.00 H new ATOM 0 HE1 MET A 107 3.147 13.477 6.824 1.00 0.00 H new ATOM 0 HE2 MET A 107 3.816 11.845 6.586 1.00 0.00 H new ATOM 0 HE3 MET A 107 4.521 13.230 5.720 1.00 0.00 H new ATOM 1717 N GLU A 108 5.208 14.300 1.531 1.00 0.00 N ATOM 1718 CA GLU A 108 6.184 15.196 1.058 1.00 0.00 C ATOM 1719 C GLU A 108 7.531 14.816 1.591 1.00 0.00 C ATOM 1720 O GLU A 108 7.647 14.201 2.658 1.00 0.00 O ATOM 1721 CB GLU A 108 5.799 16.583 1.450 1.00 0.00 C ATOM 1722 CG GLU A 108 5.820 16.857 2.932 1.00 0.00 C ATOM 1723 CD GLU A 108 5.374 18.242 3.227 1.00 0.00 C ATOM 1724 OE1 GLU A 108 6.081 19.202 2.840 1.00 0.00 O ATOM 1725 OE2 GLU A 108 4.302 18.411 3.849 1.00 0.00 O ATOM 0 H GLU A 108 4.613 14.685 2.265 1.00 0.00 H new ATOM 0 HA GLU A 108 6.244 15.152 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.473 17.284 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.797 16.786 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.172 16.146 3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.828 16.706 3.318 1.00 0.00 H new ATOM 1732 N GLY A 109 8.526 15.096 0.821 1.00 0.00 N ATOM 1733 CA GLY A 109 9.865 14.764 1.171 1.00 0.00 C ATOM 1734 C GLY A 109 10.210 13.326 0.815 1.00 0.00 C ATOM 1735 O GLY A 109 11.349 13.021 0.437 1.00 0.00 O ATOM 0 H GLY A 109 8.432 15.567 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.551 15.438 0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.008 14.916 2.241 1.00 0.00 H new ATOM 1739 N GLN A 110 9.234 12.450 0.934 1.00 0.00 N ATOM 1740 CA GLN A 110 9.388 11.080 0.633 1.00 0.00 C ATOM 1741 C GLN A 110 9.326 10.843 -0.837 1.00 0.00 C ATOM 1742 O GLN A 110 8.677 11.589 -1.582 1.00 0.00 O ATOM 1743 CB GLN A 110 8.345 10.250 1.362 1.00 0.00 C ATOM 1744 CG GLN A 110 8.900 9.561 2.573 1.00 0.00 C ATOM 1745 CD GLN A 110 7.865 8.773 3.340 1.00 0.00 C ATOM 1746 OE1 GLN A 110 7.585 7.641 3.028 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.388 9.329 4.405 1.00 0.00 N ATOM 0 H GLN A 110 8.297 12.698 1.252 1.00 0.00 H new ATOM 0 HA GLN A 110 10.374 10.767 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.518 10.894 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 110 7.937 9.505 0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 110 9.702 8.890 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 110 9.343 10.305 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 110 7.646 10.288 4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 110 6.754 8.809 5.012 1.00 0.00 H new ATOM 1756 N GLU A 111 10.010 9.826 -1.247 1.00 0.00 N ATOM 1757 CA GLU A 111 10.081 9.429 -2.594 1.00 0.00 C ATOM 1758 C GLU A 111 9.856 7.948 -2.627 1.00 0.00 C ATOM 1759 O GLU A 111 10.252 7.260 -1.676 1.00 0.00 O ATOM 1760 CB GLU A 111 11.424 9.805 -3.204 1.00 0.00 C ATOM 1761 CG GLU A 111 11.624 11.297 -3.300 1.00 0.00 C ATOM 1762 CD GLU A 111 12.864 11.655 -4.019 1.00 0.00 C ATOM 1763 OE1 GLU A 111 12.891 11.523 -5.256 1.00 0.00 O ATOM 1764 OE2 GLU A 111 13.818 12.124 -3.376 1.00 0.00 O ATOM 0 H GLU A 111 10.552 9.233 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 111 9.323 9.939 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.225 9.373 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.501 9.368 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.770 11.743 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.654 11.722 -2.297 1.00 0.00 H new ATOM 1771 N PRO A 112 9.214 7.451 -3.692 1.00 0.00 N ATOM 1772 CA PRO A 112 8.810 6.054 -3.826 1.00 0.00 C ATOM 1773 C PRO A 112 9.866 5.082 -3.520 1.00 0.00 C ATOM 1774 O PRO A 112 11.001 5.137 -4.035 1.00 0.00 O ATOM 1775 CB PRO A 112 8.380 5.911 -5.272 1.00 0.00 C ATOM 1776 CG PRO A 112 8.040 7.284 -5.715 1.00 0.00 C ATOM 1777 CD PRO A 112 8.853 8.229 -4.885 1.00 0.00 C ATOM 0 HA PRO A 112 8.024 5.833 -3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.179 5.488 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.523 5.244 -5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.262 7.413 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.975 7.477 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.739 8.567 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.281 9.119 -4.621 1.00 0.00 H new ATOM 1785 N ILE A 113 9.505 4.193 -2.676 1.00 0.00 N ATOM 1786 CA ILE A 113 10.348 3.162 -2.349 1.00 0.00 C ATOM 1787 C ILE A 113 10.149 2.089 -3.386 1.00 0.00 C ATOM 1788 O ILE A 113 9.104 1.449 -3.437 1.00 0.00 O ATOM 1789 CB ILE A 113 10.028 2.596 -0.998 1.00 0.00 C ATOM 1790 CG1 ILE A 113 9.951 3.700 0.054 1.00 0.00 C ATOM 1791 CG2 ILE A 113 11.127 1.664 -0.663 1.00 0.00 C ATOM 1792 CD1 ILE A 113 9.537 3.200 1.411 1.00 0.00 C ATOM 0 H ILE A 113 8.603 4.179 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 113 11.376 3.524 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 113 9.061 2.094 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.924 4.185 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.243 4.460 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.943 1.222 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.177 0.876 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.072 2.207 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.502 4.035 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.551 2.741 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.258 2.462 1.762 1.00 0.00 H new ATOM 1804 N ALA A 114 11.096 1.943 -4.227 1.00 0.00 N ATOM 1805 CA ALA A 114 11.022 0.992 -5.272 1.00 0.00 C ATOM 1806 C ALA A 114 11.880 -0.216 -4.962 1.00 0.00 C ATOM 1807 O ALA A 114 12.999 -0.098 -4.450 1.00 0.00 O ATOM 1808 CB ALA A 114 11.407 1.631 -6.578 1.00 0.00 C ATOM 0 H ALA A 114 11.959 2.487 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 114 9.994 0.641 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.347 0.891 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.727 2.455 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.427 2.011 -6.511 1.00 0.00 H new ATOM 1814 N ARG A 115 11.324 -1.352 -5.207 1.00 0.00 N ATOM 1815 CA ARG A 115 11.941 -2.625 -5.012 1.00 0.00 C ATOM 1816 C ARG A 115 11.626 -3.423 -6.187 1.00 0.00 C ATOM 1817 O ARG A 115 10.489 -3.519 -6.579 1.00 0.00 O ATOM 1818 CB ARG A 115 11.382 -3.254 -3.746 1.00 0.00 C ATOM 1819 CG ARG A 115 11.688 -4.712 -3.476 1.00 0.00 C ATOM 1820 CD ARG A 115 13.140 -4.963 -3.349 1.00 0.00 C ATOM 1821 NE ARG A 115 13.405 -6.339 -2.952 1.00 0.00 N ATOM 1822 CZ ARG A 115 14.233 -7.162 -3.589 1.00 0.00 C ATOM 1823 NH1 ARG A 115 14.899 -6.743 -4.643 1.00 0.00 N ATOM 1824 NH2 ARG A 115 14.408 -8.407 -3.163 1.00 0.00 N ATOM 0 H ARG A 115 10.373 -1.425 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 115 13.022 -2.550 -4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 115 11.746 -2.675 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 115 10.298 -3.140 -3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 115 11.186 -5.024 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 115 11.285 -5.322 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 115 13.632 -4.755 -4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.566 -4.281 -2.613 1.00 0.00 H new ATOM 0 HE ARG A 115 12.922 -6.696 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 115 14.781 -5.785 -4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 115 15.534 -7.376 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 115 13.905 -8.740 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 115 15.045 -9.031 -3.658 1.00 0.00 H new ATOM 1838 N LYS A 116 12.600 -3.945 -6.777 1.00 0.00 N ATOM 1839 CA LYS A 116 12.386 -4.741 -7.904 1.00 0.00 C ATOM 1840 C LYS A 116 11.884 -6.101 -7.545 1.00 0.00 C ATOM 1841 O LYS A 116 11.601 -6.438 -6.390 1.00 0.00 O ATOM 1842 CB LYS A 116 13.650 -4.889 -8.704 1.00 0.00 C ATOM 1843 CG LYS A 116 14.791 -5.467 -7.911 1.00 0.00 C ATOM 1844 CD LYS A 116 16.091 -5.608 -8.707 1.00 0.00 C ATOM 1845 CE LYS A 116 16.908 -4.303 -8.814 1.00 0.00 C ATOM 1846 NZ LYS A 116 16.202 -3.201 -9.506 1.00 0.00 N ATOM 0 H LYS A 116 13.575 -3.838 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 116 11.626 -4.234 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.454 -5.528 -9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.943 -3.913 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.975 -4.834 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.499 -6.447 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.710 -6.374 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.854 -5.959 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.178 -3.973 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.838 -4.512 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.898 -2.552 -9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.597 -3.593 -10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.614 -2.682 -8.823 1.00 0.00 H new ATOM 1860 N VAL A 117 11.769 -6.827 -8.563 1.00 0.00 N ATOM 1861 CA VAL A 117 11.472 -8.165 -8.602 1.00 0.00 C ATOM 1862 C VAL A 117 12.588 -9.009 -8.001 1.00 0.00 C ATOM 1863 O VAL A 117 13.568 -8.499 -7.445 1.00 0.00 O ATOM 1864 CB VAL A 117 11.377 -8.506 -10.061 1.00 0.00 C ATOM 1865 CG1 VAL A 117 10.127 -7.953 -10.668 1.00 0.00 C ATOM 1866 CG2 VAL A 117 12.621 -8.009 -10.806 1.00 0.00 C ATOM 0 H VAL A 117 11.898 -6.443 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 117 10.561 -8.365 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 117 11.331 -9.591 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 117 10.088 -8.217 -11.725 1.00 0.00 H new ATOM 0 HG12 VAL A 117 9.259 -8.370 -10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 117 10.122 -6.868 -10.565 1.00 0.00 H new ATOM 0 HG21 VAL A 117 12.538 -8.263 -11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 117 12.702 -6.927 -10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 117 13.509 -8.482 -10.387 1.00 0.00 H new