USER MOD reduce.3.24.130724 H: found=0, std=0, add=979, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 981 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 38 ASN : amide:sc= -0.949 K(o=4.3,f=3.6) USER MOD Set 1.2: A 41 CYS SG : rot -121:sc= 1.98 USER MOD Set 1.3: A 66 CYS SG : rot -128:sc= 1.59 USER MOD Set 1.4: A 69 SER OG : rot 180:sc= 0.0103 USER MOD Set 1.5: A 128 CYS SG : rot -126:sc= 1.64 USER MOD Set 2.1: A 18 HIS : no HD1:sc= 1.2 K(o=2.9,f=-8.5!) USER MOD Set 2.2: A 24 ASN : amide:sc= 1.22 K(o=2.9,f=-0.33) USER MOD Set 2.3: A 74 SER OG : rot -87:sc= 0.472 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 16 MET CE :methyl 167:sc= -0.0531 (180deg=-0.378) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.14) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0165 F(o=-1.2,f=-0.016) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0.887) USER MOD Single : A 29 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.56) USER MOD Single : A 31 SER OG : rot 71:sc= -0.998 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.946 K(o=0.95,f=0.25) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.000319 USER MOD Single : A 48 THR OG1 : rot -80:sc= -0.528! USER MOD Single : A 49 MET CE :methyl -131:sc= -0.296 (180deg=-2.28!) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.02) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= 1.13 (180deg=0.823) USER MOD Single : A 67 SER OG : rot 148:sc= 0.856 USER MOD Single : A 70 MET CE :methyl -179:sc= -0.0162 (180deg=-0.0176) USER MOD Single : A 72 SER OG : rot -59:sc= 1.13 USER MOD Single : A 75 MET CE :methyl -110:sc= -0.364 (180deg=-1.18) USER MOD Single : A 76 MET CE :methyl -119:sc= -2.25 (180deg=-2.26) USER MOD Single : A 77 THR OG1 : rot 71:sc= 1.28 USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.13) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 154:sc= 0.95 USER MOD Single : A 90 SER OG : rot 82:sc= 0.967 USER MOD Single : A 91 MET CE :methyl -160:sc= -0.16 (180deg=-0.733) USER MOD Single : A 92 SER OG : rot -104:sc= -2.1! USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.59) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 117 GLN :FLIP amide:sc= -0.377 F(o=-2.7!,f=-0.38) USER MOD Single : A 120 SER OG : rot 52:sc= 1.21 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -164:sc= -0.0905 (180deg=-0.398) USER MOD Single : A 130 THR OG1 : rot -93:sc= 0.35 USER MOD Single : A 132 SER OG : rot 72:sc= -0.332 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -169:sc= -0.0134 (180deg=-0.201) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 7 -9.274 -9.709 12.105 1.00 0.00 N ATOM 90 CA LEU A 7 -8.952 -9.245 10.765 1.00 0.00 C ATOM 91 C LEU A 7 -10.123 -9.478 9.812 1.00 0.00 C ATOM 92 O LEU A 7 -10.442 -8.618 8.985 1.00 0.00 O ATOM 93 CB LEU A 7 -7.699 -9.987 10.275 1.00 0.00 C ATOM 94 CG LEU A 7 -6.811 -9.243 9.271 1.00 0.00 C ATOM 95 CD1 LEU A 7 -5.463 -9.937 9.161 1.00 0.00 C ATOM 96 CD2 LEU A 7 -7.465 -9.168 7.902 1.00 0.00 C ATOM 0 HA LEU A 7 -8.758 -8.173 10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.092 -10.242 11.144 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.015 -10.926 9.820 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.671 -8.225 9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.836 -9.404 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.976 -9.943 10.136 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.608 -10.963 8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.809 -8.634 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.641 -10.176 7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.415 -8.639 7.981 1.00 0.00 H new ATOM 108 N ASP A 8 -10.774 -10.631 9.964 1.00 0.00 N ATOM 109 CA ASP A 8 -11.833 -11.078 9.054 1.00 0.00 C ATOM 110 C ASP A 8 -12.913 -10.017 8.864 1.00 0.00 C ATOM 111 O ASP A 8 -13.239 -9.638 7.740 1.00 0.00 O ATOM 112 CB ASP A 8 -12.461 -12.371 9.586 1.00 0.00 C ATOM 113 CG ASP A 8 -13.664 -12.825 8.781 1.00 0.00 C ATOM 114 OD1 ASP A 8 -13.479 -13.346 7.662 1.00 0.00 O ATOM 115 OD2 ASP A 8 -14.801 -12.680 9.275 1.00 0.00 O ATOM 0 H ASP A 8 -10.583 -11.285 10.723 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.377 -11.259 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.710 -13.161 9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.761 -12.222 10.623 1.00 0.00 H new ATOM 120 N THR A 9 -13.444 -9.518 9.965 1.00 0.00 N ATOM 121 CA THR A 9 -14.538 -8.561 9.906 1.00 0.00 C ATOM 122 C THR A 9 -14.047 -7.168 9.508 1.00 0.00 C ATOM 123 O THR A 9 -14.790 -6.385 8.919 1.00 0.00 O ATOM 124 CB THR A 9 -15.285 -8.498 11.252 1.00 0.00 C ATOM 125 OG1 THR A 9 -15.670 -9.824 11.642 1.00 0.00 O ATOM 126 CG2 THR A 9 -16.527 -7.622 11.159 1.00 0.00 C ATOM 0 H THR A 9 -13.138 -9.757 10.908 1.00 0.00 H new ATOM 0 HA THR A 9 -15.229 -8.906 9.137 1.00 0.00 H new ATOM 0 HB THR A 9 -14.615 -8.062 11.993 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.144 -9.788 12.499 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.030 -7.600 12.126 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.238 -6.610 10.877 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.204 -8.029 10.407 1.00 0.00 H new ATOM 134 N LEU A 10 -12.786 -6.867 9.798 1.00 0.00 N ATOM 135 CA LEU A 10 -12.240 -5.551 9.493 1.00 0.00 C ATOM 136 C LEU A 10 -11.981 -5.383 8.000 1.00 0.00 C ATOM 137 O LEU A 10 -12.492 -4.453 7.385 1.00 0.00 O ATOM 138 CB LEU A 10 -10.952 -5.289 10.279 1.00 0.00 C ATOM 139 CG LEU A 10 -11.141 -5.037 11.776 1.00 0.00 C ATOM 140 CD1 LEU A 10 -9.820 -4.639 12.418 1.00 0.00 C ATOM 141 CD2 LEU A 10 -12.193 -3.961 12.008 1.00 0.00 C ATOM 0 H LEU A 10 -12.129 -7.510 10.240 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.989 -4.819 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.288 -6.144 10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.448 -4.426 9.843 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.487 -5.960 12.241 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.971 -4.463 13.483 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.093 -5.440 12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.448 -3.728 11.949 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.314 -3.795 13.079 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.876 -3.034 11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.143 -4.283 11.581 1.00 0.00 H new ATOM 153 N TYR A 11 -11.221 -6.301 7.410 1.00 0.00 N ATOM 154 CA TYR A 11 -10.826 -6.179 6.010 1.00 0.00 C ATOM 155 C TYR A 11 -12.041 -6.330 5.106 1.00 0.00 C ATOM 156 O TYR A 11 -12.089 -5.759 4.021 1.00 0.00 O ATOM 157 CB TYR A 11 -9.742 -7.210 5.634 1.00 0.00 C ATOM 158 CG TYR A 11 -10.275 -8.550 5.164 1.00 0.00 C ATOM 159 CD1 TYR A 11 -10.556 -8.772 3.821 1.00 0.00 C ATOM 160 CD2 TYR A 11 -10.498 -9.587 6.057 1.00 0.00 C ATOM 161 CE1 TYR A 11 -11.045 -9.986 3.386 1.00 0.00 C ATOM 162 CE2 TYR A 11 -10.986 -10.806 5.628 1.00 0.00 C ATOM 163 CZ TYR A 11 -11.258 -11.000 4.291 1.00 0.00 C ATOM 164 OH TYR A 11 -11.749 -12.212 3.861 1.00 0.00 O ATOM 0 H TYR A 11 -10.867 -7.135 7.878 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.399 -5.186 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.116 -6.788 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.100 -7.373 6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.389 -7.980 3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.287 -9.439 7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.260 -10.140 2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.154 -11.603 6.337 1.00 0.00 H new ATOM 0 HH TYR A 11 -11.840 -12.818 4.626 1.00 0.00 H new ATOM 174 N ARG A 12 -13.026 -7.099 5.563 1.00 0.00 N ATOM 175 CA ARG A 12 -14.255 -7.274 4.808 1.00 0.00 C ATOM 176 C ARG A 12 -15.003 -5.951 4.736 1.00 0.00 C ATOM 177 O ARG A 12 -15.633 -5.634 3.732 1.00 0.00 O ATOM 178 CB ARG A 12 -15.130 -8.361 5.437 1.00 0.00 C ATOM 179 CG ARG A 12 -16.404 -8.648 4.660 1.00 0.00 C ATOM 180 CD ARG A 12 -17.054 -9.939 5.122 1.00 0.00 C ATOM 181 NE ARG A 12 -18.311 -10.202 4.425 1.00 0.00 N ATOM 182 CZ ARG A 12 -18.424 -10.988 3.353 1.00 0.00 C ATOM 183 NH1 ARG A 12 -17.342 -11.525 2.803 1.00 0.00 N ATOM 184 NH2 ARG A 12 -19.620 -11.216 2.818 1.00 0.00 N ATOM 0 H ARG A 12 -12.994 -7.606 6.447 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.006 -7.594 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.550 -9.280 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.394 -8.061 6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -17.103 -7.821 4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.176 -8.714 3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.368 -10.769 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -17.239 -9.887 6.195 1.00 0.00 H new ATOM 0 HE ARG A 12 -19.156 -9.756 4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.421 -11.337 3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.431 -12.126 1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -20.451 -10.790 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.706 -11.817 1.998 1.00 0.00 H new ATOM 198 N GLN A 13 -14.902 -5.168 5.803 1.00 0.00 N ATOM 199 CA GLN A 13 -15.455 -3.826 5.806 1.00 0.00 C ATOM 200 C GLN A 13 -14.560 -2.889 5.006 1.00 0.00 C ATOM 201 O GLN A 13 -15.053 -2.021 4.292 1.00 0.00 O ATOM 202 CB GLN A 13 -15.626 -3.299 7.231 1.00 0.00 C ATOM 203 CG GLN A 13 -16.690 -4.029 8.033 1.00 0.00 C ATOM 204 CD GLN A 13 -16.792 -3.508 9.450 1.00 0.00 C ATOM 205 OE1 GLN A 13 -17.561 -2.590 9.735 1.00 0.00 O ATOM 206 NE2 GLN A 13 -16.012 -4.087 10.347 1.00 0.00 N ATOM 0 H GLN A 13 -14.444 -5.441 6.672 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.440 -3.867 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.673 -3.378 7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.880 -2.240 7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.655 -3.921 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.460 -5.094 8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.389 -4.845 10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.033 -3.776 11.318 1.00 0.00 H new ATOM 215 N VAL A 14 -13.241 -3.079 5.114 1.00 0.00 N ATOM 216 CA VAL A 14 -12.291 -2.250 4.372 1.00 0.00 C ATOM 217 C VAL A 14 -12.509 -2.384 2.864 1.00 0.00 C ATOM 218 O VAL A 14 -12.618 -1.385 2.150 1.00 0.00 O ATOM 219 CB VAL A 14 -10.824 -2.607 4.716 1.00 0.00 C ATOM 220 CG1 VAL A 14 -9.854 -1.836 3.833 1.00 0.00 C ATOM 221 CG2 VAL A 14 -10.534 -2.323 6.181 1.00 0.00 C ATOM 0 H VAL A 14 -12.812 -3.793 5.703 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.472 -1.218 4.671 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.687 -3.672 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.831 -2.105 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.038 -2.084 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.997 -0.766 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.498 -2.580 6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.697 -1.265 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.198 -2.920 6.806 1.00 0.00 H new ATOM 231 N ILE A 15 -12.602 -3.619 2.388 1.00 0.00 N ATOM 232 CA ILE A 15 -12.794 -3.864 0.968 1.00 0.00 C ATOM 233 C ILE A 15 -14.198 -3.448 0.524 1.00 0.00 C ATOM 234 O ILE A 15 -14.396 -3.054 -0.621 1.00 0.00 O ATOM 235 CB ILE A 15 -12.536 -5.346 0.592 1.00 0.00 C ATOM 236 CG1 ILE A 15 -12.553 -5.521 -0.931 1.00 0.00 C ATOM 237 CG2 ILE A 15 -13.561 -6.264 1.244 1.00 0.00 C ATOM 238 CD1 ILE A 15 -12.272 -6.937 -1.387 1.00 0.00 C ATOM 0 H ILE A 15 -12.548 -4.461 2.962 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.060 -3.253 0.442 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.550 -5.623 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.527 -5.213 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.813 -4.854 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.355 -7.297 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.501 -6.164 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.561 -5.989 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.301 -6.981 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.286 -7.243 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.026 -7.608 -0.976 1.00 0.00 H new ATOM 250 N MET A 16 -15.162 -3.508 1.441 1.00 0.00 N ATOM 251 CA MET A 16 -16.540 -3.150 1.120 1.00 0.00 C ATOM 252 C MET A 16 -16.717 -1.633 1.109 1.00 0.00 C ATOM 253 O MET A 16 -17.515 -1.097 0.342 1.00 0.00 O ATOM 254 CB MET A 16 -17.508 -3.799 2.113 1.00 0.00 C ATOM 255 CG MET A 16 -18.973 -3.594 1.764 1.00 0.00 C ATOM 256 SD MET A 16 -20.080 -4.564 2.812 1.00 0.00 S ATOM 257 CE MET A 16 -19.691 -3.904 4.433 1.00 0.00 C ATOM 0 H MET A 16 -15.014 -3.800 2.407 1.00 0.00 H new ATOM 0 HA MET A 16 -16.767 -3.525 0.122 1.00 0.00 H new ATOM 0 HB2 MET A 16 -17.302 -4.868 2.161 1.00 0.00 H new ATOM 0 HB3 MET A 16 -17.321 -3.393 3.107 1.00 0.00 H new ATOM 0 HG2 MET A 16 -19.221 -2.537 1.860 1.00 0.00 H new ATOM 0 HG3 MET A 16 -19.136 -3.866 0.721 1.00 0.00 H new ATOM 0 HE1 MET A 16 -20.445 -4.231 5.149 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.712 -4.265 4.747 1.00 0.00 H new ATOM 0 HE3 MET A 16 -19.680 -2.815 4.389 1.00 0.00 H new ATOM 267 N ASP A 17 -15.961 -0.945 1.952 1.00 0.00 N ATOM 268 CA ASP A 17 -15.966 0.515 1.975 1.00 0.00 C ATOM 269 C ASP A 17 -15.349 1.060 0.690 1.00 0.00 C ATOM 270 O ASP A 17 -15.755 2.096 0.172 1.00 0.00 O ATOM 271 CB ASP A 17 -15.194 1.029 3.192 1.00 0.00 C ATOM 272 CG ASP A 17 -15.240 2.538 3.316 1.00 0.00 C ATOM 273 OD1 ASP A 17 -16.232 3.060 3.867 1.00 0.00 O ATOM 274 OD2 ASP A 17 -14.286 3.208 2.874 1.00 0.00 O ATOM 0 H ASP A 17 -15.333 -1.374 2.632 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.997 0.862 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.607 0.581 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.156 0.705 3.122 1.00 0.00 H new ATOM 279 N HIS A 18 -14.385 0.322 0.168 1.00 0.00 N ATOM 280 CA HIS A 18 -13.723 0.676 -1.073 1.00 0.00 C ATOM 281 C HIS A 18 -14.533 0.142 -2.246 1.00 0.00 C ATOM 282 O HIS A 18 -14.390 0.592 -3.377 1.00 0.00 O ATOM 283 CB HIS A 18 -12.299 0.108 -1.081 1.00 0.00 C ATOM 284 CG HIS A 18 -11.472 0.547 -2.249 1.00 0.00 C ATOM 285 ND1 HIS A 18 -11.072 1.853 -2.436 1.00 0.00 N ATOM 286 CD2 HIS A 18 -10.959 -0.155 -3.288 1.00 0.00 C ATOM 287 CE1 HIS A 18 -10.351 1.936 -3.538 1.00 0.00 C ATOM 288 NE2 HIS A 18 -10.264 0.733 -4.071 1.00 0.00 N ATOM 0 H HIS A 18 -14.040 -0.539 0.593 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.656 1.760 -1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.796 0.405 -0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.354 -0.981 -1.077 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.075 -1.214 -3.467 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.907 2.837 -3.936 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.761 0.500 -4.927 1.00 0.00 H new ATOM 297 N TYR A 19 -15.386 -0.829 -1.950 1.00 0.00 N ATOM 298 CA TYR A 19 -16.290 -1.410 -2.934 1.00 0.00 C ATOM 299 C TYR A 19 -17.366 -0.400 -3.301 1.00 0.00 C ATOM 300 O TYR A 19 -17.972 -0.478 -4.367 1.00 0.00 O ATOM 301 CB TYR A 19 -16.932 -2.663 -2.354 1.00 0.00 C ATOM 302 CG TYR A 19 -17.550 -3.596 -3.372 1.00 0.00 C ATOM 303 CD1 TYR A 19 -16.775 -4.544 -4.028 1.00 0.00 C ATOM 304 CD2 TYR A 19 -18.910 -3.549 -3.659 1.00 0.00 C ATOM 305 CE1 TYR A 19 -17.335 -5.419 -4.939 1.00 0.00 C ATOM 306 CE2 TYR A 19 -19.477 -4.419 -4.572 1.00 0.00 C ATOM 307 CZ TYR A 19 -18.686 -5.352 -5.208 1.00 0.00 C ATOM 308 OH TYR A 19 -19.247 -6.229 -6.111 1.00 0.00 O ATOM 0 H TYR A 19 -15.471 -1.237 -1.019 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.730 -1.674 -3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.177 -3.212 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -17.703 -2.363 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.716 -4.598 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.533 -2.821 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.718 -6.152 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.534 -4.368 -4.786 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.208 -6.051 -6.186 1.00 0.00 H new ATOM 318 N LYS A 20 -17.596 0.542 -2.391 1.00 0.00 N ATOM 319 CA LYS A 20 -18.495 1.654 -2.648 1.00 0.00 C ATOM 320 C LYS A 20 -17.990 2.440 -3.843 1.00 0.00 C ATOM 321 O LYS A 20 -18.772 2.989 -4.621 1.00 0.00 O ATOM 322 CB LYS A 20 -18.567 2.578 -1.431 1.00 0.00 C ATOM 323 CG LYS A 20 -19.001 1.891 -0.148 1.00 0.00 C ATOM 324 CD LYS A 20 -18.829 2.815 1.044 1.00 0.00 C ATOM 325 CE LYS A 20 -19.171 2.116 2.346 1.00 0.00 C ATOM 326 NZ LYS A 20 -18.865 2.965 3.527 1.00 0.00 N ATOM 0 H LYS A 20 -17.168 0.554 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 20 -19.491 1.261 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.587 3.029 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.261 3.390 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -20.044 1.585 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.414 0.985 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.800 3.173 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.467 3.690 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.229 1.855 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.612 1.183 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.967 2.402 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.890 3.319 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.524 3.769 3.557 1.00 0.00 H new ATOM 340 N ASN A 21 -16.672 2.465 -3.998 1.00 0.00 N ATOM 341 CA ASN A 21 -16.050 3.218 -5.081 1.00 0.00 C ATOM 342 C ASN A 21 -15.068 2.342 -5.852 1.00 0.00 C ATOM 343 O ASN A 21 -13.858 2.394 -5.620 1.00 0.00 O ATOM 344 CB ASN A 21 -15.333 4.471 -4.554 1.00 0.00 C ATOM 345 CG ASN A 21 -16.276 5.503 -3.947 1.00 0.00 C ATOM 346 OD1 ASN A 21 -17.506 5.560 -4.441 1.00 0.00 O flip ATOM 347 ND2 ASN A 21 -15.897 6.247 -3.041 1.00 0.00 N flip ATOM 0 H ASN A 21 -16.015 1.975 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 21 -16.845 3.538 -5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.602 4.172 -3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.779 4.933 -5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.943 6.174 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -16.537 6.936 -2.645 1.00 0.00 H new ATOM 354 N PRO A 22 -15.580 1.507 -6.770 1.00 0.00 N ATOM 355 CA PRO A 22 -14.754 0.609 -7.571 1.00 0.00 C ATOM 356 C PRO A 22 -14.000 1.358 -8.662 1.00 0.00 C ATOM 357 O PRO A 22 -14.570 1.720 -9.691 1.00 0.00 O ATOM 358 CB PRO A 22 -15.759 -0.374 -8.192 1.00 0.00 C ATOM 359 CG PRO A 22 -17.082 -0.058 -7.570 1.00 0.00 C ATOM 360 CD PRO A 22 -17.000 1.365 -7.101 1.00 0.00 C ATOM 0 HA PRO A 22 -13.990 0.117 -6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -15.799 -0.259 -9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.470 -1.406 -7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.890 -0.183 -8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -17.290 -0.730 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -17.308 2.066 -7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -17.639 1.545 -6.236 1.00 0.00 H new ATOM 368 N ARG A 23 -12.726 1.622 -8.415 1.00 0.00 N ATOM 369 CA ARG A 23 -11.887 2.324 -9.378 1.00 0.00 C ATOM 370 C ARG A 23 -10.564 1.588 -9.552 1.00 0.00 C ATOM 371 O ARG A 23 -9.568 2.163 -9.995 1.00 0.00 O ATOM 372 CB ARG A 23 -11.635 3.768 -8.923 1.00 0.00 C ATOM 373 CG ARG A 23 -12.910 4.566 -8.682 1.00 0.00 C ATOM 374 CD ARG A 23 -12.614 6.010 -8.308 1.00 0.00 C ATOM 375 NE ARG A 23 -12.035 6.764 -9.419 1.00 0.00 N ATOM 376 CZ ARG A 23 -11.647 8.037 -9.337 1.00 0.00 C ATOM 377 NH1 ARG A 23 -11.763 8.703 -8.190 1.00 0.00 N ATOM 378 NH2 ARG A 23 -11.145 8.643 -10.401 1.00 0.00 N ATOM 0 H ARG A 23 -12.248 1.360 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.406 2.351 -10.336 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.048 3.753 -8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.035 4.278 -9.677 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.528 4.543 -9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.487 4.096 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.535 6.495 -7.984 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.928 6.030 -7.461 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.921 6.286 -10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.150 8.240 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.464 9.677 -8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.056 8.136 -11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.848 9.617 -10.340 1.00 0.00 H new ATOM 392 N ASN A 24 -10.566 0.303 -9.220 1.00 0.00 N ATOM 393 CA ASN A 24 -9.349 -0.497 -9.275 1.00 0.00 C ATOM 394 C ASN A 24 -9.119 -1.059 -10.667 1.00 0.00 C ATOM 395 O ASN A 24 -9.385 -2.234 -10.931 1.00 0.00 O ATOM 396 CB ASN A 24 -9.390 -1.641 -8.259 1.00 0.00 C ATOM 397 CG ASN A 24 -9.096 -1.185 -6.846 1.00 0.00 C ATOM 398 OD1 ASN A 24 -9.430 -0.066 -6.453 1.00 0.00 O ATOM 399 ND2 ASN A 24 -8.458 -2.047 -6.073 1.00 0.00 N ATOM 0 H ASN A 24 -11.394 -0.206 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.521 0.166 -9.024 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.374 -2.110 -8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.666 -2.403 -8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.225 -1.795 -5.113 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.199 -2.964 -6.437 1.00 0.00 H new ATOM 406 N LYS A 25 -8.653 -0.203 -11.563 1.00 0.00 N ATOM 407 CA LYS A 25 -8.276 -0.622 -12.902 1.00 0.00 C ATOM 408 C LYS A 25 -7.436 0.450 -13.579 1.00 0.00 C ATOM 409 O LYS A 25 -7.942 1.509 -13.959 1.00 0.00 O ATOM 410 CB LYS A 25 -9.508 -0.936 -13.757 1.00 0.00 C ATOM 411 CG LYS A 25 -9.150 -1.436 -15.146 1.00 0.00 C ATOM 412 CD LYS A 25 -10.378 -1.816 -15.953 1.00 0.00 C ATOM 413 CE LYS A 25 -9.983 -2.338 -17.324 1.00 0.00 C ATOM 414 NZ LYS A 25 -9.146 -3.566 -17.234 1.00 0.00 N ATOM 0 H LYS A 25 -8.527 0.793 -11.384 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.685 -1.533 -12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.114 -1.687 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.121 -0.039 -13.846 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.594 -0.663 -15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.492 -2.301 -15.061 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.948 -2.577 -15.420 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.029 -0.949 -16.063 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.881 -2.553 -17.902 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.435 -1.565 -17.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.040 -3.984 -18.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.208 -3.320 -16.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.604 -4.253 -16.601 1.00 0.00 H new ATOM 428 N GLY A 26 -6.147 0.184 -13.700 1.00 0.00 N ATOM 429 CA GLY A 26 -5.270 1.088 -14.403 1.00 0.00 C ATOM 430 C GLY A 26 -3.863 0.548 -14.514 1.00 0.00 C ATOM 431 O GLY A 26 -3.351 -0.057 -13.574 1.00 0.00 O ATOM 0 H GLY A 26 -5.692 -0.647 -13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.666 1.273 -15.402 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.249 2.047 -13.886 1.00 0.00 H new ATOM 435 N VAL A 27 -3.245 0.756 -15.665 1.00 0.00 N ATOM 436 CA VAL A 27 -1.861 0.367 -15.878 1.00 0.00 C ATOM 437 C VAL A 27 -1.137 1.455 -16.675 1.00 0.00 C ATOM 438 O VAL A 27 -1.216 1.520 -17.904 1.00 0.00 O ATOM 439 CB VAL A 27 -1.748 -1.016 -16.572 1.00 0.00 C ATOM 440 CG1 VAL A 27 -2.605 -1.086 -17.828 1.00 0.00 C ATOM 441 CG2 VAL A 27 -0.297 -1.347 -16.890 1.00 0.00 C ATOM 0 H VAL A 27 -3.685 1.196 -16.473 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.380 0.264 -14.905 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.126 -1.763 -15.874 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.500 -2.069 -18.286 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.650 -0.918 -17.566 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.280 -0.321 -18.533 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.244 -2.321 -17.376 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.112 -0.587 -17.555 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.282 -1.370 -15.967 1.00 0.00 H new ATOM 451 N LEU A 28 -0.470 2.336 -15.954 1.00 0.00 N ATOM 452 CA LEU A 28 0.156 3.506 -16.549 1.00 0.00 C ATOM 453 C LEU A 28 1.657 3.307 -16.729 1.00 0.00 C ATOM 454 O LEU A 28 2.347 2.864 -15.821 1.00 0.00 O ATOM 455 CB LEU A 28 -0.096 4.724 -15.657 1.00 0.00 C ATOM 456 CG LEU A 28 0.507 6.038 -16.152 1.00 0.00 C ATOM 457 CD1 LEU A 28 -0.207 6.514 -17.408 1.00 0.00 C ATOM 458 CD2 LEU A 28 0.445 7.091 -15.057 1.00 0.00 C ATOM 0 H LEU A 28 -0.346 2.264 -14.944 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.283 3.663 -17.534 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.172 4.857 -15.548 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.301 4.514 -14.664 1.00 0.00 H new ATOM 0 HG LEU A 28 1.554 5.870 -16.405 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.236 7.451 -17.746 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.106 5.762 -18.191 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.263 6.671 -17.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.878 8.022 -15.423 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.594 7.260 -14.774 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.006 6.746 -14.189 1.00 0.00 H new ATOM 470 N ASN A 29 2.161 3.639 -17.901 1.00 0.00 N ATOM 471 CA ASN A 29 3.596 3.629 -18.129 1.00 0.00 C ATOM 472 C ASN A 29 4.058 5.044 -18.451 1.00 0.00 C ATOM 473 O ASN A 29 3.875 5.542 -19.561 1.00 0.00 O ATOM 474 CB ASN A 29 3.987 2.628 -19.233 1.00 0.00 C ATOM 475 CG ASN A 29 3.252 2.846 -20.546 1.00 0.00 C ATOM 476 OD1 ASN A 29 3.735 3.548 -21.432 1.00 0.00 O ATOM 477 ND2 ASN A 29 2.084 2.239 -20.683 1.00 0.00 N ATOM 0 H ASN A 29 1.603 3.918 -18.708 1.00 0.00 H new ATOM 0 HA ASN A 29 4.101 3.293 -17.224 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.060 2.699 -19.412 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.789 1.616 -18.880 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.552 2.346 -21.547 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.716 1.664 -19.925 1.00 0.00 H new ATOM 484 N ASP A 30 4.619 5.707 -17.450 1.00 0.00 N ATOM 485 CA ASP A 30 4.971 7.117 -17.577 1.00 0.00 C ATOM 486 C ASP A 30 5.927 7.550 -16.475 1.00 0.00 C ATOM 487 O ASP A 30 7.027 8.027 -16.749 1.00 0.00 O ATOM 488 CB ASP A 30 3.703 7.980 -17.538 1.00 0.00 C ATOM 489 CG ASP A 30 3.998 9.465 -17.574 1.00 0.00 C ATOM 490 OD1 ASP A 30 4.241 10.003 -18.675 1.00 0.00 O ATOM 491 OD2 ASP A 30 3.974 10.104 -16.505 1.00 0.00 O ATOM 0 H ASP A 30 4.840 5.295 -16.544 1.00 0.00 H new ATOM 0 HA ASP A 30 5.474 7.254 -18.534 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.067 7.721 -18.385 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.140 7.749 -16.634 1.00 0.00 H new ATOM 496 N SER A 31 5.509 7.379 -15.230 1.00 0.00 N ATOM 497 CA SER A 31 6.311 7.813 -14.099 1.00 0.00 C ATOM 498 C SER A 31 6.747 6.613 -13.258 1.00 0.00 C ATOM 499 O SER A 31 7.890 6.162 -13.348 1.00 0.00 O ATOM 500 CB SER A 31 5.514 8.823 -13.264 1.00 0.00 C ATOM 501 OG SER A 31 6.259 9.310 -12.164 1.00 0.00 O ATOM 0 H SER A 31 4.621 6.944 -14.979 1.00 0.00 H new ATOM 0 HA SER A 31 7.215 8.302 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.214 9.659 -13.896 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.600 8.352 -12.902 1.00 0.00 H new ATOM 0 HG SER A 31 6.971 9.901 -12.487 1.00 0.00 H new ATOM 507 N ILE A 32 5.831 6.086 -12.459 1.00 0.00 N ATOM 508 CA ILE A 32 6.124 4.931 -11.623 1.00 0.00 C ATOM 509 C ILE A 32 5.362 3.710 -12.116 1.00 0.00 C ATOM 510 O ILE A 32 4.155 3.770 -12.340 1.00 0.00 O ATOM 511 CB ILE A 32 5.766 5.191 -10.143 1.00 0.00 C ATOM 512 CG1 ILE A 32 6.558 6.381 -9.603 1.00 0.00 C ATOM 513 CG2 ILE A 32 6.029 3.950 -9.300 1.00 0.00 C ATOM 514 CD1 ILE A 32 6.255 6.702 -8.156 1.00 0.00 C ATOM 0 H ILE A 32 4.878 6.440 -12.372 1.00 0.00 H new ATOM 0 HA ILE A 32 7.196 4.748 -11.692 1.00 0.00 H new ATOM 0 HB ILE A 32 4.703 5.426 -10.084 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.623 6.175 -9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.343 7.258 -10.214 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.770 4.154 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.422 3.124 -9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.084 3.682 -9.365 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.853 7.557 -7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.197 6.940 -8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.497 5.840 -7.534 1.00 0.00 H new ATOM 526 N VAL A 33 6.075 2.612 -12.293 1.00 0.00 N ATOM 527 CA VAL A 33 5.471 1.366 -12.741 1.00 0.00 C ATOM 528 C VAL A 33 5.918 0.220 -11.842 1.00 0.00 C ATOM 529 O VAL A 33 7.022 -0.303 -11.997 1.00 0.00 O ATOM 530 CB VAL A 33 5.849 1.032 -14.207 1.00 0.00 C ATOM 531 CG1 VAL A 33 5.114 -0.211 -14.688 1.00 0.00 C ATOM 532 CG2 VAL A 33 5.563 2.208 -15.131 1.00 0.00 C ATOM 0 H VAL A 33 7.081 2.556 -12.132 1.00 0.00 H new ATOM 0 HA VAL A 33 4.390 1.493 -12.687 1.00 0.00 H new ATOM 0 HB VAL A 33 6.920 0.832 -14.234 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.396 -0.424 -15.719 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.380 -1.058 -14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.039 -0.042 -14.634 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.838 1.944 -16.152 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.501 2.451 -15.093 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.145 3.072 -14.811 1.00 0.00 H new ATOM 542 N VAL A 34 5.082 -0.147 -10.884 1.00 0.00 N ATOM 543 CA VAL A 34 5.412 -1.234 -9.972 1.00 0.00 C ATOM 544 C VAL A 34 4.358 -2.333 -10.034 1.00 0.00 C ATOM 545 O VAL A 34 3.170 -2.082 -9.828 1.00 0.00 O ATOM 546 CB VAL A 34 5.545 -0.735 -8.514 1.00 0.00 C ATOM 547 CG1 VAL A 34 5.899 -1.881 -7.574 1.00 0.00 C ATOM 548 CG2 VAL A 34 6.586 0.370 -8.417 1.00 0.00 C ATOM 0 H VAL A 34 4.175 0.288 -10.717 1.00 0.00 H new ATOM 0 HA VAL A 34 6.374 -1.636 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 34 4.580 -0.330 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.986 -1.502 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.117 -2.639 -7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.848 -2.323 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.664 0.707 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.552 -0.010 -8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.289 1.206 -9.050 1.00 0.00 H new ATOM 558 N ASP A 35 4.795 -3.545 -10.341 1.00 0.00 N ATOM 559 CA ASP A 35 3.908 -4.698 -10.342 1.00 0.00 C ATOM 560 C ASP A 35 4.449 -5.758 -9.391 1.00 0.00 C ATOM 561 O ASP A 35 5.662 -5.870 -9.199 1.00 0.00 O ATOM 562 CB ASP A 35 3.752 -5.274 -11.760 1.00 0.00 C ATOM 563 CG ASP A 35 4.957 -6.070 -12.232 1.00 0.00 C ATOM 564 OD1 ASP A 35 6.046 -5.481 -12.401 1.00 0.00 O ATOM 565 OD2 ASP A 35 4.813 -7.290 -12.465 1.00 0.00 O ATOM 0 H ASP A 35 5.761 -3.756 -10.593 1.00 0.00 H new ATOM 0 HA ASP A 35 2.922 -4.381 -10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.871 -5.915 -11.787 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.572 -4.456 -12.457 1.00 0.00 H new ATOM 570 N MET A 36 3.554 -6.515 -8.781 1.00 0.00 N ATOM 571 CA MET A 36 3.937 -7.554 -7.853 1.00 0.00 C ATOM 572 C MET A 36 3.058 -8.760 -8.116 1.00 0.00 C ATOM 573 O MET A 36 1.830 -8.659 -8.146 1.00 0.00 O ATOM 574 CB MET A 36 3.804 -7.068 -6.403 1.00 0.00 C ATOM 575 CG MET A 36 4.610 -7.877 -5.394 1.00 0.00 C ATOM 576 SD MET A 36 4.020 -9.570 -5.189 1.00 0.00 S ATOM 577 CE MET A 36 5.147 -10.178 -3.939 1.00 0.00 C ATOM 0 H MET A 36 2.547 -6.424 -8.917 1.00 0.00 H new ATOM 0 HA MET A 36 4.983 -7.823 -7.998 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.120 -6.026 -6.351 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.752 -7.097 -6.117 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.653 -7.900 -5.710 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.580 -7.371 -4.429 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.907 -11.216 -3.706 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.170 -10.117 -4.310 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.051 -9.573 -3.038 1.00 0.00 H new ATOM 587 N ASN A 37 3.704 -9.873 -8.365 1.00 0.00 N ATOM 588 CA ASN A 37 3.024 -11.091 -8.767 1.00 0.00 C ATOM 589 C ASN A 37 3.147 -12.167 -7.699 1.00 0.00 C ATOM 590 O ASN A 37 4.250 -12.611 -7.379 1.00 0.00 O ATOM 591 CB ASN A 37 3.630 -11.610 -10.077 1.00 0.00 C ATOM 592 CG ASN A 37 3.693 -10.544 -11.158 1.00 0.00 C ATOM 593 OD1 ASN A 37 2.812 -10.445 -12.015 1.00 0.00 O ATOM 594 ND2 ASN A 37 4.735 -9.733 -11.119 1.00 0.00 N ATOM 0 H ASN A 37 4.717 -9.965 -8.296 1.00 0.00 H new ATOM 0 HA ASN A 37 1.968 -10.860 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.635 -11.985 -9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.039 -12.452 -10.437 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.831 -8.993 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.443 -9.847 -10.394 1.00 0.00 H new ATOM 601 N ASN A 38 2.017 -12.583 -7.148 1.00 0.00 N ATOM 602 CA ASN A 38 1.989 -13.732 -6.253 1.00 0.00 C ATOM 603 C ASN A 38 1.119 -14.797 -6.897 1.00 0.00 C ATOM 604 O ASN A 38 -0.081 -14.859 -6.649 1.00 0.00 O ATOM 605 CB ASN A 38 1.483 -13.358 -4.846 1.00 0.00 C ATOM 606 CG ASN A 38 1.586 -14.513 -3.852 1.00 0.00 C ATOM 607 OD1 ASN A 38 2.360 -15.449 -4.050 1.00 0.00 O ATOM 608 ND2 ASN A 38 0.841 -14.437 -2.747 1.00 0.00 N ATOM 0 H ASN A 38 1.109 -12.144 -7.303 1.00 0.00 H new ATOM 0 HA ASN A 38 3.001 -14.111 -6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.058 -12.511 -4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.444 -13.034 -4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.904 -15.168 -2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.209 -13.648 -2.612 1.00 0.00 H new ATOM 615 N PRO A 39 1.738 -15.624 -7.758 1.00 0.00 N ATOM 616 CA PRO A 39 1.049 -16.539 -8.677 1.00 0.00 C ATOM 617 C PRO A 39 -0.250 -17.135 -8.140 1.00 0.00 C ATOM 618 O PRO A 39 -0.273 -17.749 -7.068 1.00 0.00 O ATOM 619 CB PRO A 39 2.095 -17.626 -8.886 1.00 0.00 C ATOM 620 CG PRO A 39 3.392 -16.896 -8.852 1.00 0.00 C ATOM 621 CD PRO A 39 3.207 -15.749 -7.890 1.00 0.00 C ATOM 0 HA PRO A 39 0.721 -16.023 -9.579 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.044 -18.384 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.952 -18.139 -9.837 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.199 -17.552 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.660 -16.532 -9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.678 -15.955 -6.929 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.653 -14.831 -8.273 1.00 0.00 H new ATOM 629 N THR A 40 -1.333 -16.905 -8.888 1.00 0.00 N ATOM 630 CA THR A 40 -2.625 -17.537 -8.638 1.00 0.00 C ATOM 631 C THR A 40 -3.376 -16.891 -7.458 1.00 0.00 C ATOM 632 O THR A 40 -4.554 -17.183 -7.224 1.00 0.00 O ATOM 633 CB THR A 40 -2.447 -19.057 -8.409 1.00 0.00 C ATOM 634 OG1 THR A 40 -1.568 -19.589 -9.412 1.00 0.00 O ATOM 635 CG2 THR A 40 -3.776 -19.791 -8.473 1.00 0.00 C ATOM 0 H THR A 40 -1.335 -16.271 -9.687 1.00 0.00 H new ATOM 0 HA THR A 40 -3.238 -17.381 -9.526 1.00 0.00 H new ATOM 0 HB THR A 40 -2.025 -19.201 -7.415 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.452 -20.551 -9.268 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.612 -20.856 -8.308 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.443 -19.403 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.227 -19.641 -9.454 1.00 0.00 H new ATOM 643 N CYS A 41 -2.722 -15.984 -6.738 1.00 0.00 N ATOM 644 CA CYS A 41 -3.328 -15.397 -5.548 1.00 0.00 C ATOM 645 C CYS A 41 -3.226 -13.868 -5.551 1.00 0.00 C ATOM 646 O CYS A 41 -4.189 -13.170 -5.242 1.00 0.00 O ATOM 647 CB CYS A 41 -2.658 -15.964 -4.301 1.00 0.00 C ATOM 648 SG CYS A 41 -3.553 -15.618 -2.775 1.00 0.00 S ATOM 0 H CYS A 41 -1.785 -15.643 -6.954 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.387 -15.654 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.554 -17.043 -4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.651 -15.554 -4.222 1.00 0.00 H new ATOM 0 HG CYS A 41 -2.783 -14.960 -1.960 1.00 0.00 H new ATOM 654 N GLY A 42 -2.044 -13.365 -5.858 1.00 0.00 N ATOM 655 CA GLY A 42 -1.838 -11.941 -6.030 1.00 0.00 C ATOM 656 C GLY A 42 -1.218 -11.690 -7.380 1.00 0.00 C ATOM 657 O GLY A 42 -0.140 -11.121 -7.495 1.00 0.00 O ATOM 0 H GLY A 42 -1.205 -13.929 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.787 -11.412 -5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.190 -11.557 -5.242 1.00 0.00 H new ATOM 661 N ASP A 43 -1.936 -12.125 -8.389 1.00 0.00 N ATOM 662 CA ASP A 43 -1.401 -12.313 -9.737 1.00 0.00 C ATOM 663 C ASP A 43 -0.698 -11.083 -10.292 1.00 0.00 C ATOM 664 O ASP A 43 0.485 -11.157 -10.608 1.00 0.00 O ATOM 665 CB ASP A 43 -2.497 -12.774 -10.694 1.00 0.00 C ATOM 666 CG ASP A 43 -2.935 -14.196 -10.408 1.00 0.00 C ATOM 667 OD1 ASP A 43 -2.206 -15.132 -10.797 1.00 0.00 O ATOM 668 OD2 ASP A 43 -3.999 -14.388 -9.783 1.00 0.00 O ATOM 0 H ASP A 43 -2.924 -12.365 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.641 -13.089 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.355 -12.106 -10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.136 -12.705 -11.720 1.00 0.00 H new ATOM 673 N ARG A 44 -1.398 -9.963 -10.441 1.00 0.00 N ATOM 674 CA ARG A 44 -0.754 -8.771 -10.977 1.00 0.00 C ATOM 675 C ARG A 44 -1.265 -7.529 -10.290 1.00 0.00 C ATOM 676 O ARG A 44 -2.321 -7.029 -10.653 1.00 0.00 O ATOM 677 CB ARG A 44 -1.019 -8.614 -12.476 1.00 0.00 C ATOM 678 CG ARG A 44 -0.612 -9.799 -13.331 1.00 0.00 C ATOM 679 CD ARG A 44 -0.920 -9.538 -14.795 1.00 0.00 C ATOM 680 NE ARG A 44 -2.265 -8.990 -14.974 1.00 0.00 N ATOM 681 CZ ARG A 44 -3.301 -9.684 -15.436 1.00 0.00 C ATOM 682 NH1 ARG A 44 -3.153 -10.958 -15.780 1.00 0.00 N ATOM 683 NH2 ARG A 44 -4.483 -9.096 -15.544 1.00 0.00 N ATOM 0 H ARG A 44 -2.385 -9.856 -10.205 1.00 0.00 H new ATOM 0 HA ARG A 44 0.315 -8.892 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.083 -8.428 -12.623 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.489 -7.730 -12.832 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.453 -9.993 -13.208 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.140 -10.692 -12.997 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.186 -8.843 -15.203 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.827 -10.467 -15.358 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.418 -8.012 -14.728 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.242 -11.408 -15.690 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.950 -11.487 -16.134 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.593 -8.119 -15.274 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.283 -9.621 -15.897 1.00 0.00 H new ATOM 697 N ILE A 45 -0.546 -7.033 -9.302 1.00 0.00 N ATOM 698 CA ILE A 45 -0.895 -5.746 -8.735 1.00 0.00 C ATOM 699 C ILE A 45 -0.057 -4.662 -9.398 1.00 0.00 C ATOM 700 O ILE A 45 1.083 -4.401 -9.016 1.00 0.00 O ATOM 701 CB ILE A 45 -0.753 -5.698 -7.193 1.00 0.00 C ATOM 702 CG1 ILE A 45 -1.092 -4.296 -6.672 1.00 0.00 C ATOM 703 CG2 ILE A 45 0.639 -6.120 -6.746 1.00 0.00 C ATOM 704 CD1 ILE A 45 -0.992 -4.160 -5.167 1.00 0.00 C ATOM 0 H ILE A 45 0.265 -7.489 -8.883 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.952 -5.572 -8.937 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.460 -6.410 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.421 -3.574 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.104 -4.038 -6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.702 -6.074 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.834 -7.140 -7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.380 -5.449 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.246 -3.141 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.683 -4.856 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.026 -4.385 -4.848 1.00 0.00 H new ATOM 716 N ARG A 46 -0.604 -4.076 -10.443 1.00 0.00 N ATOM 717 CA ARG A 46 0.101 -3.047 -11.171 1.00 0.00 C ATOM 718 C ARG A 46 -0.282 -1.675 -10.646 1.00 0.00 C ATOM 719 O ARG A 46 -1.325 -1.128 -10.996 1.00 0.00 O ATOM 720 CB ARG A 46 -0.166 -3.178 -12.672 1.00 0.00 C ATOM 721 CG ARG A 46 0.458 -4.430 -13.268 1.00 0.00 C ATOM 722 CD ARG A 46 0.155 -4.578 -14.748 1.00 0.00 C ATOM 723 NE ARG A 46 0.894 -5.699 -15.336 1.00 0.00 N ATOM 724 CZ ARG A 46 0.407 -6.513 -16.269 1.00 0.00 C ATOM 725 NH1 ARG A 46 -0.823 -6.343 -16.735 1.00 0.00 N ATOM 726 NH2 ARG A 46 1.157 -7.502 -16.740 1.00 0.00 N ATOM 0 H ARG A 46 -1.532 -4.295 -10.805 1.00 0.00 H new ATOM 0 HA ARG A 46 1.173 -3.171 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.242 -3.194 -12.846 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.227 -2.300 -13.185 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.538 -4.400 -13.122 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.089 -5.306 -12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.915 -4.732 -14.888 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.415 -3.656 -15.268 1.00 0.00 H new ATOM 0 HE ARG A 46 1.845 -5.866 -15.008 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.403 -5.584 -16.378 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.189 -6.971 -17.450 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.104 -7.637 -16.387 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.786 -8.127 -17.455 1.00 0.00 H new ATOM 740 N LEU A 47 0.567 -1.156 -9.773 1.00 0.00 N ATOM 741 CA LEU A 47 0.390 0.150 -9.179 1.00 0.00 C ATOM 742 C LEU A 47 1.276 1.132 -9.916 1.00 0.00 C ATOM 743 O LEU A 47 2.494 1.170 -9.719 1.00 0.00 O ATOM 744 CB LEU A 47 0.744 0.113 -7.688 1.00 0.00 C ATOM 745 CG LEU A 47 0.650 1.456 -6.957 1.00 0.00 C ATOM 746 CD1 LEU A 47 -0.771 1.998 -7.009 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.121 1.312 -5.516 1.00 0.00 C ATOM 0 H LEU A 47 1.407 -1.640 -9.456 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.652 0.460 -9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.083 -0.598 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.760 -0.269 -7.582 1.00 0.00 H new ATOM 0 HG LEU A 47 1.303 2.169 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.816 2.952 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.068 2.141 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.448 1.289 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.048 2.275 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.496 0.583 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.157 0.974 -5.504 1.00 0.00 H new ATOM 759 N THR A 48 0.673 1.884 -10.803 1.00 0.00 N ATOM 760 CA THR A 48 1.411 2.770 -11.656 1.00 0.00 C ATOM 761 C THR A 48 1.044 4.215 -11.362 1.00 0.00 C ATOM 762 O THR A 48 -0.105 4.621 -11.511 1.00 0.00 O ATOM 763 CB THR A 48 1.142 2.403 -13.120 1.00 0.00 C ATOM 764 OG1 THR A 48 -0.273 2.281 -13.341 1.00 0.00 O ATOM 765 CG2 THR A 48 1.819 1.083 -13.467 1.00 0.00 C ATOM 0 H THR A 48 -0.336 1.897 -10.950 1.00 0.00 H new ATOM 0 HA THR A 48 2.479 2.662 -11.465 1.00 0.00 H new ATOM 0 HB THR A 48 1.546 3.191 -13.755 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.579 1.405 -13.025 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.620 0.835 -14.509 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.894 1.175 -13.315 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.428 0.294 -12.825 1.00 0.00 H new ATOM 773 N MET A 49 2.018 4.984 -10.915 1.00 0.00 N ATOM 774 CA MET A 49 1.754 6.324 -10.431 1.00 0.00 C ATOM 775 C MET A 49 2.399 7.364 -11.328 1.00 0.00 C ATOM 776 O MET A 49 3.294 7.050 -12.111 1.00 0.00 O ATOM 777 CB MET A 49 2.247 6.475 -8.990 1.00 0.00 C ATOM 778 CG MET A 49 1.517 5.574 -8.005 1.00 0.00 C ATOM 779 SD MET A 49 2.581 4.314 -7.275 1.00 0.00 S ATOM 780 CE MET A 49 3.613 5.309 -6.203 1.00 0.00 C ATOM 0 H MET A 49 2.998 4.704 -10.877 1.00 0.00 H new ATOM 0 HA MET A 49 0.676 6.487 -10.450 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.313 6.252 -8.953 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.127 7.513 -8.680 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.090 6.186 -7.210 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.685 5.088 -8.514 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.660 5.052 -6.365 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.460 6.365 -6.428 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.349 5.117 -5.163 1.00 0.00 H new ATOM 790 N LYS A 50 1.937 8.600 -11.214 1.00 0.00 N ATOM 791 CA LYS A 50 2.444 9.673 -12.035 1.00 0.00 C ATOM 792 C LYS A 50 2.812 10.846 -11.146 1.00 0.00 C ATOM 793 O LYS A 50 1.944 11.585 -10.676 1.00 0.00 O ATOM 794 CB LYS A 50 1.390 10.073 -13.075 1.00 0.00 C ATOM 795 CG LYS A 50 1.922 10.848 -14.278 1.00 0.00 C ATOM 796 CD LYS A 50 2.250 12.296 -13.945 1.00 0.00 C ATOM 797 CE LYS A 50 2.539 13.103 -15.202 1.00 0.00 C ATOM 798 NZ LYS A 50 3.754 12.625 -15.916 1.00 0.00 N ATOM 0 H LYS A 50 1.209 8.879 -10.556 1.00 0.00 H new ATOM 0 HA LYS A 50 3.336 9.347 -12.570 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.897 9.170 -13.435 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.628 10.677 -12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.817 10.355 -14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.182 10.822 -15.078 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.416 12.745 -13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.114 12.332 -13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.681 13.046 -15.872 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.667 14.152 -14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.938 13.237 -16.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.570 12.655 -15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.605 11.648 -16.240 1.00 0.00 H new ATOM 812 N LEU A 51 4.094 10.983 -10.876 1.00 0.00 N ATOM 813 CA LEU A 51 4.581 12.093 -10.094 1.00 0.00 C ATOM 814 C LEU A 51 5.158 13.146 -11.022 1.00 0.00 C ATOM 815 O LEU A 51 6.048 12.865 -11.826 1.00 0.00 O ATOM 816 CB LEU A 51 5.617 11.623 -9.048 1.00 0.00 C ATOM 817 CG LEU A 51 6.950 11.076 -9.573 1.00 0.00 C ATOM 818 CD1 LEU A 51 7.990 12.184 -9.676 1.00 0.00 C ATOM 819 CD2 LEU A 51 7.455 9.965 -8.670 1.00 0.00 C ATOM 0 H LEU A 51 4.817 10.335 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 51 3.752 12.534 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.834 12.463 -8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.152 10.849 -8.437 1.00 0.00 H new ATOM 0 HG LEU A 51 6.782 10.672 -10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.926 11.770 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.634 12.955 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.155 12.621 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.402 9.586 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.602 10.354 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.724 9.157 -8.644 1.00 0.00 H new ATOM 831 N ASP A 52 4.612 14.342 -10.962 1.00 0.00 N ATOM 832 CA ASP A 52 5.175 15.436 -11.738 1.00 0.00 C ATOM 833 C ASP A 52 5.719 16.494 -10.799 1.00 0.00 C ATOM 834 O ASP A 52 5.198 17.603 -10.704 1.00 0.00 O ATOM 835 CB ASP A 52 4.149 16.034 -12.701 1.00 0.00 C ATOM 836 CG ASP A 52 4.802 16.943 -13.724 1.00 0.00 C ATOM 837 OD1 ASP A 52 5.720 16.476 -14.435 1.00 0.00 O ATOM 838 OD2 ASP A 52 4.413 18.125 -13.812 1.00 0.00 O ATOM 0 H ASP A 52 3.797 14.583 -10.398 1.00 0.00 H new ATOM 0 HA ASP A 52 5.989 15.043 -12.347 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.620 15.231 -13.213 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.405 16.597 -12.137 1.00 0.00 H new ATOM 843 N GLY A 53 6.758 16.110 -10.079 1.00 0.00 N ATOM 844 CA GLY A 53 7.355 16.978 -9.095 1.00 0.00 C ATOM 845 C GLY A 53 7.845 16.180 -7.914 1.00 0.00 C ATOM 846 O GLY A 53 8.787 15.399 -8.028 1.00 0.00 O ATOM 0 H GLY A 53 7.204 15.196 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.185 17.526 -9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.626 17.718 -8.764 1.00 0.00 H new ATOM 850 N ASP A 54 7.160 16.335 -6.798 1.00 0.00 N ATOM 851 CA ASP A 54 7.462 15.582 -5.587 1.00 0.00 C ATOM 852 C ASP A 54 6.150 15.082 -5.011 1.00 0.00 C ATOM 853 O ASP A 54 5.988 14.924 -3.809 1.00 0.00 O ATOM 854 CB ASP A 54 8.197 16.459 -4.562 1.00 0.00 C ATOM 855 CG ASP A 54 9.002 15.646 -3.558 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.437 15.192 -2.542 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.222 15.472 -3.784 1.00 0.00 O ATOM 0 H ASP A 54 6.379 16.984 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 54 8.118 14.744 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.864 17.142 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.471 17.071 -4.028 1.00 0.00 H new ATOM 862 N ILE A 55 5.221 14.805 -5.909 1.00 0.00 N ATOM 863 CA ILE A 55 3.870 14.465 -5.548 1.00 0.00 C ATOM 864 C ILE A 55 3.433 13.226 -6.298 1.00 0.00 C ATOM 865 O ILE A 55 3.606 13.122 -7.506 1.00 0.00 O ATOM 866 CB ILE A 55 2.883 15.632 -5.833 1.00 0.00 C ATOM 867 CG1 ILE A 55 3.207 16.366 -7.152 1.00 0.00 C ATOM 868 CG2 ILE A 55 2.886 16.615 -4.675 1.00 0.00 C ATOM 869 CD1 ILE A 55 2.773 15.647 -8.416 1.00 0.00 C ATOM 0 H ILE A 55 5.392 14.812 -6.915 1.00 0.00 H new ATOM 0 HA ILE A 55 3.853 14.271 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 55 1.890 15.196 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.731 17.347 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.283 16.535 -7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.191 17.428 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.580 16.103 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.889 17.020 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.046 16.244 -9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.268 14.678 -8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.693 15.502 -8.400 1.00 0.00 H new ATOM 881 N VAL A 56 2.920 12.267 -5.578 1.00 0.00 N ATOM 882 CA VAL A 56 2.300 11.122 -6.214 1.00 0.00 C ATOM 883 C VAL A 56 0.888 11.506 -6.618 1.00 0.00 C ATOM 884 O VAL A 56 -0.063 11.288 -5.875 1.00 0.00 O ATOM 885 CB VAL A 56 2.259 9.881 -5.301 1.00 0.00 C ATOM 886 CG1 VAL A 56 1.766 8.672 -6.079 1.00 0.00 C ATOM 887 CG2 VAL A 56 3.629 9.610 -4.699 1.00 0.00 C ATOM 0 H VAL A 56 2.915 12.248 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 56 2.900 10.852 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 56 1.564 10.075 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.742 7.802 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.763 8.868 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.439 8.478 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.577 8.730 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.349 9.435 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.944 10.471 -4.109 1.00 0.00 H new ATOM 897 N GLU A 57 0.765 12.123 -7.782 1.00 0.00 N ATOM 898 CA GLU A 57 -0.502 12.687 -8.195 1.00 0.00 C ATOM 899 C GLU A 57 -1.398 11.592 -8.740 1.00 0.00 C ATOM 900 O GLU A 57 -2.442 11.293 -8.163 1.00 0.00 O ATOM 901 CB GLU A 57 -0.296 13.781 -9.247 1.00 0.00 C ATOM 902 CG GLU A 57 -1.405 14.826 -9.278 1.00 0.00 C ATOM 903 CD GLU A 57 -2.785 14.223 -9.468 1.00 0.00 C ATOM 904 OE1 GLU A 57 -3.098 13.785 -10.592 1.00 0.00 O ATOM 905 OE2 GLU A 57 -3.558 14.181 -8.487 1.00 0.00 O ATOM 0 H GLU A 57 1.525 12.244 -8.452 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.980 13.141 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.654 14.280 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.221 13.316 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.388 15.393 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.209 15.532 -10.085 1.00 0.00 H new ATOM 912 N ASP A 58 -0.991 10.981 -9.837 1.00 0.00 N ATOM 913 CA ASP A 58 -1.831 9.964 -10.451 1.00 0.00 C ATOM 914 C ASP A 58 -1.432 8.586 -9.957 1.00 0.00 C ATOM 915 O ASP A 58 -0.268 8.345 -9.649 1.00 0.00 O ATOM 916 CB ASP A 58 -1.767 10.025 -11.977 1.00 0.00 C ATOM 917 CG ASP A 58 -2.766 9.085 -12.625 1.00 0.00 C ATOM 918 OD1 ASP A 58 -3.977 9.211 -12.337 1.00 0.00 O ATOM 919 OD2 ASP A 58 -2.353 8.216 -13.420 1.00 0.00 O ATOM 0 H ASP A 58 -0.107 11.163 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.862 10.162 -10.158 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.962 11.045 -12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.761 9.769 -12.308 1.00 0.00 H new ATOM 924 N ALA A 59 -2.410 7.702 -9.851 1.00 0.00 N ATOM 925 CA ALA A 59 -2.182 6.341 -9.403 1.00 0.00 C ATOM 926 C ALA A 59 -3.160 5.399 -10.086 1.00 0.00 C ATOM 927 O ALA A 59 -4.376 5.577 -9.992 1.00 0.00 O ATOM 928 CB ALA A 59 -2.324 6.252 -7.893 1.00 0.00 C ATOM 0 H ALA A 59 -3.384 7.909 -10.073 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.167 6.046 -9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.150 5.225 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.594 6.909 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.329 6.558 -7.603 1.00 0.00 H new ATOM 934 N LYS A 60 -2.628 4.412 -10.785 1.00 0.00 N ATOM 935 CA LYS A 60 -3.442 3.462 -11.512 1.00 0.00 C ATOM 936 C LYS A 60 -3.116 2.067 -11.023 1.00 0.00 C ATOM 937 O LYS A 60 -2.018 1.565 -11.252 1.00 0.00 O ATOM 938 CB LYS A 60 -3.178 3.589 -13.014 1.00 0.00 C ATOM 939 CG LYS A 60 -3.509 4.966 -13.564 1.00 0.00 C ATOM 940 CD LYS A 60 -5.011 5.195 -13.630 1.00 0.00 C ATOM 941 CE LYS A 60 -5.351 6.672 -13.772 1.00 0.00 C ATOM 942 NZ LYS A 60 -4.481 7.357 -14.764 1.00 0.00 N ATOM 0 H LYS A 60 -1.624 4.249 -10.863 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.499 3.664 -11.339 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.129 3.368 -13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.767 2.841 -13.545 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.051 5.730 -12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.080 5.074 -14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.426 4.644 -14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.479 4.799 -12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.393 6.776 -14.073 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.249 7.161 -12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.872 8.297 -14.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.523 7.462 -14.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.438 6.793 -15.637 1.00 0.00 H new ATOM 956 N PHE A 61 -4.056 1.459 -10.327 1.00 0.00 N ATOM 957 CA PHE A 61 -3.807 0.188 -9.679 1.00 0.00 C ATOM 958 C PHE A 61 -4.772 -0.888 -10.153 1.00 0.00 C ATOM 959 O PHE A 61 -5.884 -1.016 -9.648 1.00 0.00 O ATOM 960 CB PHE A 61 -3.865 0.338 -8.150 1.00 0.00 C ATOM 961 CG PHE A 61 -4.836 1.387 -7.668 1.00 0.00 C ATOM 962 CD1 PHE A 61 -6.191 1.114 -7.568 1.00 0.00 C ATOM 963 CD2 PHE A 61 -4.385 2.650 -7.315 1.00 0.00 C ATOM 964 CE1 PHE A 61 -7.077 2.080 -7.127 1.00 0.00 C ATOM 965 CE2 PHE A 61 -5.266 3.618 -6.874 1.00 0.00 C ATOM 966 CZ PHE A 61 -6.614 3.332 -6.780 1.00 0.00 C ATOM 0 H PHE A 61 -4.999 1.825 -10.196 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.803 -0.131 -9.959 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.138 -0.622 -7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.869 0.585 -7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.559 0.135 -7.838 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.332 2.879 -7.386 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.131 1.854 -7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.901 4.598 -6.603 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.304 4.088 -6.435 1.00 0.00 H new ATOM 976 N GLU A 62 -4.352 -1.635 -11.158 1.00 0.00 N ATOM 977 CA GLU A 62 -5.073 -2.824 -11.557 1.00 0.00 C ATOM 978 C GLU A 62 -4.385 -4.030 -10.944 1.00 0.00 C ATOM 979 O GLU A 62 -3.362 -4.498 -11.446 1.00 0.00 O ATOM 980 CB GLU A 62 -5.143 -2.965 -13.078 1.00 0.00 C ATOM 981 CG GLU A 62 -6.045 -4.103 -13.529 1.00 0.00 C ATOM 982 CD GLU A 62 -6.061 -4.283 -15.028 1.00 0.00 C ATOM 983 OE1 GLU A 62 -5.171 -4.980 -15.554 1.00 0.00 O ATOM 984 OE2 GLU A 62 -6.972 -3.740 -15.688 1.00 0.00 O ATOM 0 H GLU A 62 -3.517 -1.438 -11.710 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.100 -2.750 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.504 -2.031 -13.508 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.139 -3.128 -13.469 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.714 -5.030 -13.061 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.060 -3.915 -13.180 1.00 0.00 H new ATOM 991 N GLY A 63 -4.930 -4.503 -9.838 1.00 0.00 N ATOM 992 CA GLY A 63 -4.315 -5.589 -9.114 1.00 0.00 C ATOM 993 C GLY A 63 -5.188 -6.815 -9.099 1.00 0.00 C ATOM 994 O GLY A 63 -6.160 -6.874 -8.348 1.00 0.00 O ATOM 0 H GLY A 63 -5.794 -4.151 -9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.355 -5.832 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.112 -5.275 -8.090 1.00 0.00 H new ATOM 998 N GLU A 64 -4.845 -7.803 -9.909 1.00 0.00 N ATOM 999 CA GLU A 64 -5.671 -8.983 -10.014 1.00 0.00 C ATOM 1000 C GLU A 64 -5.197 -9.987 -8.984 1.00 0.00 C ATOM 1001 O GLU A 64 -4.223 -10.701 -9.198 1.00 0.00 O ATOM 1002 CB GLU A 64 -5.625 -9.560 -11.433 1.00 0.00 C ATOM 1003 CG GLU A 64 -6.729 -10.565 -11.709 1.00 0.00 C ATOM 1004 CD GLU A 64 -6.885 -10.876 -13.183 1.00 0.00 C ATOM 1005 OE1 GLU A 64 -7.518 -10.073 -13.899 1.00 0.00 O ATOM 1006 OE2 GLU A 64 -6.395 -11.932 -13.631 1.00 0.00 O ATOM 0 H GLU A 64 -4.010 -7.808 -10.495 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.713 -8.730 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.698 -8.744 -12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.659 -10.039 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.518 -11.487 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.672 -10.178 -11.322 1.00 0.00 H new ATOM 1013 N GLY A 65 -5.858 -9.984 -7.844 1.00 0.00 N ATOM 1014 CA GLY A 65 -5.409 -10.773 -6.724 1.00 0.00 C ATOM 1015 C GLY A 65 -6.526 -11.075 -5.758 1.00 0.00 C ATOM 1016 O GLY A 65 -7.612 -11.494 -6.160 1.00 0.00 O ATOM 0 H GLY A 65 -6.706 -9.444 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.982 -11.708 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.613 -10.241 -6.202 1.00 0.00 H new ATOM 1020 N CYS A 66 -6.272 -10.846 -4.483 1.00 0.00 N ATOM 1021 CA CYS A 66 -7.244 -11.184 -3.462 1.00 0.00 C ATOM 1022 C CYS A 66 -7.683 -9.950 -2.688 1.00 0.00 C ATOM 1023 O CYS A 66 -7.186 -8.846 -2.930 1.00 0.00 O ATOM 1024 CB CYS A 66 -6.720 -12.284 -2.525 1.00 0.00 C ATOM 1025 SG CYS A 66 -4.919 -12.345 -2.311 1.00 0.00 S ATOM 0 H CYS A 66 -5.409 -10.431 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.124 -11.584 -3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -7.179 -12.150 -1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -7.055 -13.249 -2.905 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.496 -13.554 -2.535 1.00 0.00 H new ATOM 1031 N SER A 67 -8.614 -10.158 -1.760 1.00 0.00 N ATOM 1032 CA SER A 67 -9.298 -9.080 -1.055 1.00 0.00 C ATOM 1033 C SER A 67 -8.354 -7.997 -0.531 1.00 0.00 C ATOM 1034 O SER A 67 -8.524 -6.829 -0.860 1.00 0.00 O ATOM 1035 CB SER A 67 -10.126 -9.666 0.089 1.00 0.00 C ATOM 1036 OG SER A 67 -9.398 -10.660 0.796 1.00 0.00 O ATOM 0 H SER A 67 -8.917 -11.089 -1.474 1.00 0.00 H new ATOM 0 HA SER A 67 -9.947 -8.587 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.418 -8.870 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.044 -10.098 -0.308 1.00 0.00 H new ATOM 0 HG SER A 67 -9.664 -10.651 1.739 1.00 0.00 H new ATOM 1042 N ILE A 68 -7.350 -8.381 0.252 1.00 0.00 N ATOM 1043 CA ILE A 68 -6.512 -7.388 0.924 1.00 0.00 C ATOM 1044 C ILE A 68 -5.619 -6.655 -0.074 1.00 0.00 C ATOM 1045 O ILE A 68 -5.226 -5.523 0.156 1.00 0.00 O ATOM 1046 CB ILE A 68 -5.644 -7.994 2.067 1.00 0.00 C ATOM 1047 CG1 ILE A 68 -4.332 -8.603 1.542 1.00 0.00 C ATOM 1048 CG2 ILE A 68 -6.439 -9.032 2.847 1.00 0.00 C ATOM 1049 CD1 ILE A 68 -4.513 -9.725 0.548 1.00 0.00 C ATOM 0 H ILE A 68 -7.098 -9.352 0.436 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.200 -6.678 1.383 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.375 -7.176 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.742 -7.814 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.755 -8.975 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.817 -9.445 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.321 -8.563 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.749 -9.833 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.537 -10.093 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.074 -10.536 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.060 -9.357 -0.320 1.00 0.00 H new ATOM 1061 N SER A 69 -5.336 -7.289 -1.204 1.00 0.00 N ATOM 1062 CA SER A 69 -4.489 -6.680 -2.218 1.00 0.00 C ATOM 1063 C SER A 69 -5.221 -5.498 -2.819 1.00 0.00 C ATOM 1064 O SER A 69 -4.690 -4.391 -2.917 1.00 0.00 O ATOM 1065 CB SER A 69 -4.162 -7.710 -3.296 1.00 0.00 C ATOM 1066 OG SER A 69 -3.945 -8.974 -2.701 1.00 0.00 O ATOM 0 H SER A 69 -5.679 -8.220 -1.440 1.00 0.00 H new ATOM 0 HA SER A 69 -3.555 -6.337 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.980 -7.771 -4.013 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.275 -7.401 -3.850 1.00 0.00 H new ATOM 0 HG SER A 69 -3.737 -9.632 -3.397 1.00 0.00 H new ATOM 1072 N MET A 70 -6.471 -5.746 -3.166 1.00 0.00 N ATOM 1073 CA MET A 70 -7.335 -4.710 -3.720 1.00 0.00 C ATOM 1074 C MET A 70 -7.769 -3.731 -2.635 1.00 0.00 C ATOM 1075 O MET A 70 -8.159 -2.600 -2.924 1.00 0.00 O ATOM 1076 CB MET A 70 -8.577 -5.321 -4.374 1.00 0.00 C ATOM 1077 CG MET A 70 -8.307 -6.006 -5.703 1.00 0.00 C ATOM 1078 SD MET A 70 -9.808 -6.679 -6.445 1.00 0.00 S ATOM 1079 CE MET A 70 -9.180 -7.261 -8.022 1.00 0.00 C ATOM 0 H MET A 70 -6.916 -6.659 -3.075 1.00 0.00 H new ATOM 0 HA MET A 70 -6.761 -4.177 -4.478 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.017 -6.045 -3.688 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.317 -4.536 -4.526 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.853 -5.293 -6.391 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.586 -6.810 -5.555 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.997 -7.688 -8.604 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.742 -6.426 -8.570 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.419 -8.022 -7.852 1.00 0.00 H new ATOM 1089 N ALA A 71 -7.708 -4.181 -1.387 1.00 0.00 N ATOM 1090 CA ALA A 71 -8.164 -3.372 -0.266 1.00 0.00 C ATOM 1091 C ALA A 71 -7.062 -2.458 0.242 1.00 0.00 C ATOM 1092 O ALA A 71 -7.186 -1.232 0.192 1.00 0.00 O ATOM 1093 CB ALA A 71 -8.672 -4.258 0.862 1.00 0.00 C ATOM 0 H ALA A 71 -7.348 -5.099 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.984 -2.748 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.008 -3.635 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.504 -4.864 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.868 -4.911 1.202 1.00 0.00 H new ATOM 1099 N SER A 72 -5.971 -3.063 0.687 1.00 0.00 N ATOM 1100 CA SER A 72 -4.939 -2.328 1.413 1.00 0.00 C ATOM 1101 C SER A 72 -4.104 -1.456 0.482 1.00 0.00 C ATOM 1102 O SER A 72 -3.741 -0.329 0.830 1.00 0.00 O ATOM 1103 CB SER A 72 -4.048 -3.305 2.180 1.00 0.00 C ATOM 1104 OG SER A 72 -4.809 -4.031 3.129 1.00 0.00 O ATOM 0 H SER A 72 -5.775 -4.056 0.560 1.00 0.00 H new ATOM 0 HA SER A 72 -5.434 -1.662 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.571 -3.995 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.251 -2.760 2.685 1.00 0.00 H new ATOM 0 HG SER A 72 -5.231 -3.407 3.756 1.00 0.00 H new ATOM 1110 N ALA A 73 -3.818 -1.959 -0.713 1.00 0.00 N ATOM 1111 CA ALA A 73 -3.001 -1.221 -1.661 1.00 0.00 C ATOM 1112 C ALA A 73 -3.697 0.067 -2.076 1.00 0.00 C ATOM 1113 O ALA A 73 -3.114 1.146 -1.998 1.00 0.00 O ATOM 1114 CB ALA A 73 -2.681 -2.071 -2.878 1.00 0.00 C ATOM 0 H ALA A 73 -4.138 -2.869 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.062 -0.964 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.069 -1.496 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.137 -2.962 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.608 -2.366 -3.370 1.00 0.00 H new ATOM 1120 N SER A 74 -4.955 -0.043 -2.487 1.00 0.00 N ATOM 1121 CA SER A 74 -5.724 1.114 -2.912 1.00 0.00 C ATOM 1122 C SER A 74 -5.993 2.059 -1.741 1.00 0.00 C ATOM 1123 O SER A 74 -6.216 3.253 -1.936 1.00 0.00 O ATOM 1124 CB SER A 74 -7.040 0.652 -3.525 1.00 0.00 C ATOM 1125 OG SER A 74 -6.813 -0.351 -4.499 1.00 0.00 O ATOM 0 H SER A 74 -5.463 -0.926 -2.534 1.00 0.00 H new ATOM 0 HA SER A 74 -5.145 1.660 -3.657 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.695 0.266 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.552 1.499 -3.981 1.00 0.00 H new ATOM 0 HG SER A 74 -6.638 0.069 -5.367 1.00 0.00 H new ATOM 1131 N MET A 75 -5.969 1.519 -0.528 1.00 0.00 N ATOM 1132 CA MET A 75 -6.176 2.327 0.665 1.00 0.00 C ATOM 1133 C MET A 75 -4.944 3.184 0.923 1.00 0.00 C ATOM 1134 O MET A 75 -5.032 4.409 1.028 1.00 0.00 O ATOM 1135 CB MET A 75 -6.464 1.436 1.877 1.00 0.00 C ATOM 1136 CG MET A 75 -6.789 2.213 3.143 1.00 0.00 C ATOM 1137 SD MET A 75 -8.303 3.187 2.996 1.00 0.00 S ATOM 1138 CE MET A 75 -9.519 1.893 2.755 1.00 0.00 C ATOM 0 H MET A 75 -5.809 0.528 -0.346 1.00 0.00 H new ATOM 0 HA MET A 75 -7.038 2.975 0.506 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.299 0.776 1.642 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.598 0.800 2.063 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.890 1.517 3.976 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.957 2.876 3.381 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.891 1.929 1.731 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.059 0.922 2.940 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.348 2.039 3.447 1.00 0.00 H new ATOM 1148 N MET A 76 -3.788 2.536 0.978 1.00 0.00 N ATOM 1149 CA MET A 76 -2.542 3.244 1.234 1.00 0.00 C ATOM 1150 C MET A 76 -2.191 4.167 0.073 1.00 0.00 C ATOM 1151 O MET A 76 -1.650 5.252 0.273 1.00 0.00 O ATOM 1152 CB MET A 76 -1.406 2.259 1.506 1.00 0.00 C ATOM 1153 CG MET A 76 -1.553 1.537 2.832 1.00 0.00 C ATOM 1154 SD MET A 76 -1.602 2.677 4.228 1.00 0.00 S ATOM 1155 CE MET A 76 -1.980 1.542 5.560 1.00 0.00 C ATOM 0 H MET A 76 -3.687 1.529 0.850 1.00 0.00 H new ATOM 0 HA MET A 76 -2.680 3.859 2.123 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.368 1.525 0.701 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.457 2.795 1.493 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.466 0.941 2.820 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.722 0.844 2.960 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.930 1.821 6.017 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.051 0.528 5.165 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.190 1.585 6.310 1.00 0.00 H new ATOM 1165 N THR A 77 -2.535 3.753 -1.137 1.00 0.00 N ATOM 1166 CA THR A 77 -2.276 4.561 -2.317 1.00 0.00 C ATOM 1167 C THR A 77 -3.214 5.773 -2.370 1.00 0.00 C ATOM 1168 O THR A 77 -2.931 6.757 -3.043 1.00 0.00 O ATOM 1169 CB THR A 77 -2.409 3.726 -3.607 1.00 0.00 C ATOM 1170 OG1 THR A 77 -1.565 2.572 -3.520 1.00 0.00 O ATOM 1171 CG2 THR A 77 -2.020 4.534 -4.834 1.00 0.00 C ATOM 0 H THR A 77 -2.994 2.862 -1.327 1.00 0.00 H new ATOM 0 HA THR A 77 -1.249 4.921 -2.248 1.00 0.00 H new ATOM 0 HB THR A 77 -3.452 3.427 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.933 1.946 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.125 3.915 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.670 5.405 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.985 4.862 -4.740 1.00 0.00 H new ATOM 1179 N GLN A 78 -4.322 5.709 -1.638 1.00 0.00 N ATOM 1180 CA GLN A 78 -5.247 6.836 -1.572 1.00 0.00 C ATOM 1181 C GLN A 78 -4.582 7.971 -0.808 1.00 0.00 C ATOM 1182 O GLN A 78 -4.640 9.136 -1.211 1.00 0.00 O ATOM 1183 CB GLN A 78 -6.552 6.439 -0.879 1.00 0.00 C ATOM 1184 CG GLN A 78 -7.613 7.528 -0.921 1.00 0.00 C ATOM 1185 CD GLN A 78 -8.782 7.261 0.009 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -9.057 5.993 0.278 1.00 0.00 O flip ATOM 1187 NE2 GLN A 78 -9.423 8.190 0.494 1.00 0.00 N flip ATOM 0 H GLN A 78 -4.600 4.897 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.490 7.154 -2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.946 5.539 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.341 6.187 0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.156 8.481 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.984 7.626 -1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.180 9.153 0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.198 7.998 1.129 1.00 0.00 H new ATOM 1196 N ALA A 79 -3.928 7.607 0.287 1.00 0.00 N ATOM 1197 CA ALA A 79 -3.167 8.561 1.077 1.00 0.00 C ATOM 1198 C ALA A 79 -1.900 8.948 0.329 1.00 0.00 C ATOM 1199 O ALA A 79 -1.416 10.072 0.437 1.00 0.00 O ATOM 1200 CB ALA A 79 -2.824 7.972 2.438 1.00 0.00 C ATOM 0 H ALA A 79 -3.910 6.653 0.648 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.772 9.454 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.254 8.699 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.743 7.725 2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.229 7.069 2.304 1.00 0.00 H new ATOM 1206 N ILE A 80 -1.386 8.003 -0.444 1.00 0.00 N ATOM 1207 CA ILE A 80 -0.206 8.231 -1.266 1.00 0.00 C ATOM 1208 C ILE A 80 -0.500 9.223 -2.389 1.00 0.00 C ATOM 1209 O ILE A 80 0.328 10.082 -2.704 1.00 0.00 O ATOM 1210 CB ILE A 80 0.334 6.893 -1.825 1.00 0.00 C ATOM 1211 CG1 ILE A 80 1.295 6.281 -0.813 1.00 0.00 C ATOM 1212 CG2 ILE A 80 1.018 7.066 -3.176 1.00 0.00 C ATOM 1213 CD1 ILE A 80 2.503 7.149 -0.552 1.00 0.00 C ATOM 0 H ILE A 80 -1.772 7.062 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 80 0.568 8.671 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.512 6.225 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.767 6.110 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.625 5.307 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.380 6.100 -3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.306 7.470 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.858 7.753 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.151 6.661 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.051 7.299 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.180 8.114 -0.162 1.00 0.00 H new ATOM 1225 N LYS A 81 -1.697 9.122 -2.956 1.00 0.00 N ATOM 1226 CA LYS A 81 -2.152 10.046 -3.995 1.00 0.00 C ATOM 1227 C LYS A 81 -2.190 11.477 -3.455 1.00 0.00 C ATOM 1228 O LYS A 81 -2.197 12.450 -4.210 1.00 0.00 O ATOM 1229 CB LYS A 81 -3.537 9.624 -4.511 1.00 0.00 C ATOM 1230 CG LYS A 81 -4.030 10.441 -5.696 1.00 0.00 C ATOM 1231 CD LYS A 81 -5.373 9.942 -6.208 1.00 0.00 C ATOM 1232 CE LYS A 81 -5.887 10.786 -7.368 1.00 0.00 C ATOM 1233 NZ LYS A 81 -5.012 10.700 -8.568 1.00 0.00 N ATOM 0 H LYS A 81 -2.378 8.403 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 81 -1.449 10.013 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.502 8.573 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.258 9.710 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.119 11.487 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.295 10.395 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.277 8.905 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.100 9.959 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.893 10.460 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.962 11.826 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.414 11.278 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.062 11.052 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.947 9.710 -8.880 1.00 0.00 H new ATOM 1247 N GLY A 82 -2.194 11.592 -2.135 1.00 0.00 N ATOM 1248 CA GLY A 82 -2.261 12.890 -1.505 1.00 0.00 C ATOM 1249 C GLY A 82 -1.038 13.173 -0.662 1.00 0.00 C ATOM 1250 O GLY A 82 -1.100 13.947 0.293 1.00 0.00 O ATOM 0 H GLY A 82 -2.152 10.804 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.360 13.660 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.153 12.945 -0.880 1.00 0.00 H new ATOM 1254 N LYS A 83 0.082 12.550 -1.009 1.00 0.00 N ATOM 1255 CA LYS A 83 1.307 12.725 -0.249 1.00 0.00 C ATOM 1256 C LYS A 83 2.455 13.091 -1.182 1.00 0.00 C ATOM 1257 O LYS A 83 2.251 13.256 -2.390 1.00 0.00 O ATOM 1258 CB LYS A 83 1.631 11.452 0.540 1.00 0.00 C ATOM 1259 CG LYS A 83 2.010 11.714 1.993 1.00 0.00 C ATOM 1260 CD LYS A 83 0.862 12.362 2.756 1.00 0.00 C ATOM 1261 CE LYS A 83 1.245 12.669 4.198 1.00 0.00 C ATOM 1262 NZ LYS A 83 0.137 13.331 4.938 1.00 0.00 N ATOM 0 H LYS A 83 0.164 11.922 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 83 1.168 13.539 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.767 10.788 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.451 10.929 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.285 10.776 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.886 12.361 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.566 13.283 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.003 11.699 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.519 11.744 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.125 13.312 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.438 13.523 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.108 14.226 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.695 12.707 4.948 1.00 0.00 H new ATOM 1276 N ASP A 84 3.655 13.209 -0.632 1.00 0.00 N ATOM 1277 CA ASP A 84 4.794 13.649 -1.380 1.00 0.00 C ATOM 1278 C ASP A 84 5.809 12.531 -1.422 1.00 0.00 C ATOM 1279 O ASP A 84 5.595 11.453 -0.868 1.00 0.00 O ATOM 1280 CB ASP A 84 5.427 14.881 -0.728 1.00 0.00 C ATOM 1281 CG ASP A 84 4.405 15.870 -0.208 1.00 0.00 C ATOM 1282 OD1 ASP A 84 3.818 16.620 -1.013 1.00 0.00 O ATOM 1283 OD2 ASP A 84 4.189 15.902 1.024 1.00 0.00 O ATOM 0 H ASP A 84 3.853 12.999 0.346 1.00 0.00 H new ATOM 0 HA ASP A 84 4.476 13.915 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.066 14.561 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.069 15.379 -1.454 1.00 0.00 H new ATOM 1288 N ILE A 85 6.916 12.818 -2.041 1.00 0.00 N ATOM 1289 CA ILE A 85 7.993 11.853 -2.196 1.00 0.00 C ATOM 1290 C ILE A 85 8.896 11.873 -0.970 1.00 0.00 C ATOM 1291 O ILE A 85 9.173 10.829 -0.384 1.00 0.00 O ATOM 1292 CB ILE A 85 8.799 12.092 -3.501 1.00 0.00 C ATOM 1293 CG1 ILE A 85 8.171 11.317 -4.670 1.00 0.00 C ATOM 1294 CG2 ILE A 85 10.260 11.683 -3.337 1.00 0.00 C ATOM 1295 CD1 ILE A 85 6.682 11.536 -4.842 1.00 0.00 C ATOM 0 H ILE A 85 7.110 13.728 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 85 7.549 10.861 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 85 8.765 13.160 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.676 11.604 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.354 10.253 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.795 11.864 -4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.714 12.269 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.315 10.624 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.324 10.951 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.161 11.221 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.488 12.593 -5.023 1.00 0.00 H new ATOM 1307 N GLU A 86 9.319 13.064 -0.553 1.00 0.00 N ATOM 1308 CA GLU A 86 10.109 13.195 0.672 1.00 0.00 C ATOM 1309 C GLU A 86 9.321 12.657 1.863 1.00 0.00 C ATOM 1310 O GLU A 86 9.883 12.097 2.807 1.00 0.00 O ATOM 1311 CB GLU A 86 10.501 14.653 0.923 1.00 0.00 C ATOM 1312 CG GLU A 86 11.453 15.223 -0.114 1.00 0.00 C ATOM 1313 CD GLU A 86 11.868 16.646 0.206 1.00 0.00 C ATOM 1314 OE1 GLU A 86 11.063 17.568 -0.032 1.00 0.00 O ATOM 1315 OE2 GLU A 86 12.995 16.847 0.704 1.00 0.00 O ATOM 0 H GLU A 86 9.132 13.942 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 86 11.022 12.612 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.598 15.263 0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.963 14.730 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.340 14.593 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.977 15.198 -1.094 1.00 0.00 H new ATOM 1322 N THR A 87 8.008 12.818 1.795 1.00 0.00 N ATOM 1323 CA THR A 87 7.121 12.339 2.837 1.00 0.00 C ATOM 1324 C THR A 87 6.927 10.822 2.738 1.00 0.00 C ATOM 1325 O THR A 87 6.631 10.162 3.728 1.00 0.00 O ATOM 1326 CB THR A 87 5.759 13.051 2.742 1.00 0.00 C ATOM 1327 OG1 THR A 87 5.972 14.448 2.494 1.00 0.00 O ATOM 1328 CG2 THR A 87 4.962 12.884 4.028 1.00 0.00 C ATOM 0 H THR A 87 7.533 13.281 1.021 1.00 0.00 H new ATOM 0 HA THR A 87 7.577 12.564 3.801 1.00 0.00 H new ATOM 0 HB THR A 87 5.192 12.604 1.925 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.191 14.822 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.005 13.397 3.932 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.789 11.824 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.521 13.311 4.861 1.00 0.00 H new ATOM 1336 N ALA A 88 7.122 10.272 1.540 1.00 0.00 N ATOM 1337 CA ALA A 88 6.969 8.839 1.320 1.00 0.00 C ATOM 1338 C ALA A 88 8.149 8.072 1.907 1.00 0.00 C ATOM 1339 O ALA A 88 7.976 7.022 2.519 1.00 0.00 O ATOM 1340 CB ALA A 88 6.827 8.538 -0.163 1.00 0.00 C ATOM 0 H ALA A 88 7.386 10.800 0.708 1.00 0.00 H new ATOM 0 HA ALA A 88 6.061 8.513 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.714 7.463 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.949 9.051 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.716 8.883 -0.691 1.00 0.00 H new ATOM 1346 N LEU A 89 9.348 8.611 1.727 1.00 0.00 N ATOM 1347 CA LEU A 89 10.544 8.013 2.311 1.00 0.00 C ATOM 1348 C LEU A 89 10.433 8.024 3.835 1.00 0.00 C ATOM 1349 O LEU A 89 10.733 7.039 4.511 1.00 0.00 O ATOM 1350 CB LEU A 89 11.806 8.766 1.862 1.00 0.00 C ATOM 1351 CG LEU A 89 12.349 8.408 0.467 1.00 0.00 C ATOM 1352 CD1 LEU A 89 12.655 6.925 0.375 1.00 0.00 C ATOM 1353 CD2 LEU A 89 11.379 8.811 -0.631 1.00 0.00 C ATOM 0 H LEU A 89 9.519 9.457 1.184 1.00 0.00 H new ATOM 0 HA LEU A 89 10.625 6.983 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.593 9.835 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.593 8.583 2.594 1.00 0.00 H new ATOM 0 HG LEU A 89 13.272 8.969 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.038 6.693 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.403 6.661 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.744 6.354 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.796 8.543 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.431 8.292 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.213 9.888 -0.593 1.00 0.00 H new ATOM 1365 N SER A 90 9.950 9.137 4.358 1.00 0.00 N ATOM 1366 CA SER A 90 9.753 9.304 5.786 1.00 0.00 C ATOM 1367 C SER A 90 8.622 8.400 6.270 1.00 0.00 C ATOM 1368 O SER A 90 8.584 8.005 7.431 1.00 0.00 O ATOM 1369 CB SER A 90 9.447 10.772 6.103 1.00 0.00 C ATOM 1370 OG SER A 90 10.438 11.627 5.547 1.00 0.00 O ATOM 0 H SER A 90 9.683 9.951 3.804 1.00 0.00 H new ATOM 0 HA SER A 90 10.666 9.020 6.308 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.467 11.038 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.403 10.914 7.183 1.00 0.00 H new ATOM 0 HG SER A 90 10.241 11.784 4.600 1.00 0.00 H new ATOM 1376 N MET A 91 7.719 8.055 5.354 1.00 0.00 N ATOM 1377 CA MET A 91 6.624 7.145 5.658 1.00 0.00 C ATOM 1378 C MET A 91 7.166 5.753 5.951 1.00 0.00 C ATOM 1379 O MET A 91 6.575 5.002 6.716 1.00 0.00 O ATOM 1380 CB MET A 91 5.626 7.098 4.496 1.00 0.00 C ATOM 1381 CG MET A 91 4.447 6.163 4.729 1.00 0.00 C ATOM 1382 SD MET A 91 3.271 6.171 3.359 1.00 0.00 S ATOM 1383 CE MET A 91 2.717 7.874 3.396 1.00 0.00 C ATOM 0 H MET A 91 7.727 8.395 4.392 1.00 0.00 H new ATOM 0 HA MET A 91 6.102 7.510 6.542 1.00 0.00 H new ATOM 0 HB2 MET A 91 5.248 8.104 4.314 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.150 6.787 3.593 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.817 5.149 4.879 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.933 6.454 5.645 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.763 7.958 2.875 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.594 8.194 4.431 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.456 8.508 2.905 1.00 0.00 H new ATOM 1393 N SER A 92 8.306 5.426 5.356 1.00 0.00 N ATOM 1394 CA SER A 92 8.976 4.172 5.630 1.00 0.00 C ATOM 1395 C SER A 92 9.791 4.304 6.892 1.00 0.00 C ATOM 1396 O SER A 92 9.840 3.380 7.705 1.00 0.00 O ATOM 1397 CB SER A 92 9.894 3.799 4.486 1.00 0.00 C ATOM 1398 OG SER A 92 9.222 3.882 3.255 1.00 0.00 O ATOM 0 H SER A 92 8.784 6.019 4.678 1.00 0.00 H new ATOM 0 HA SER A 92 8.223 3.393 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.759 4.462 4.478 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.270 2.786 4.632 1.00 0.00 H new ATOM 0 HG SER A 92 8.999 2.980 2.943 1.00 0.00 H new ATOM 1404 N LYS A 93 10.435 5.462 7.055 1.00 0.00 N ATOM 1405 CA LYS A 93 11.171 5.729 8.283 1.00 0.00 C ATOM 1406 C LYS A 93 10.239 5.562 9.475 1.00 0.00 C ATOM 1407 O LYS A 93 10.604 4.956 10.479 1.00 0.00 O ATOM 1408 CB LYS A 93 11.799 7.134 8.272 1.00 0.00 C ATOM 1409 CG LYS A 93 12.657 7.447 9.503 1.00 0.00 C ATOM 1410 CD LYS A 93 11.834 8.013 10.656 1.00 0.00 C ATOM 1411 CE LYS A 93 12.684 8.243 11.903 1.00 0.00 C ATOM 1412 NZ LYS A 93 12.955 6.984 12.656 1.00 0.00 N ATOM 0 H LYS A 93 10.460 6.213 6.365 1.00 0.00 H new ATOM 0 HA LYS A 93 11.990 5.014 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.414 7.238 7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.003 7.875 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.161 6.538 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.434 8.161 9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.378 8.954 10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.021 7.327 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.631 8.699 11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.176 8.951 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.873 7.059 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.204 6.832 13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.977 6.182 11.995 1.00 0.00 H new ATOM 1426 N ILE A 94 9.021 6.070 9.341 1.00 0.00 N ATOM 1427 CA ILE A 94 8.039 5.959 10.409 1.00 0.00 C ATOM 1428 C ILE A 94 7.338 4.600 10.360 1.00 0.00 C ATOM 1429 O ILE A 94 6.862 4.115 11.380 1.00 0.00 O ATOM 1430 CB ILE A 94 6.992 7.105 10.379 1.00 0.00 C ATOM 1431 CG1 ILE A 94 6.149 7.087 11.660 1.00 0.00 C ATOM 1432 CG2 ILE A 94 6.096 7.001 9.155 1.00 0.00 C ATOM 1433 CD1 ILE A 94 5.103 8.182 11.725 1.00 0.00 C ATOM 0 H ILE A 94 8.692 6.560 8.509 1.00 0.00 H new ATOM 0 HA ILE A 94 8.586 6.047 11.348 1.00 0.00 H new ATOM 0 HB ILE A 94 7.529 8.052 10.322 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.653 6.120 11.743 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.812 7.180 12.520 1.00 0.00 H new ATOM 0 HG21 ILE A 94 5.374 7.817 9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.704 7.063 8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.567 6.048 9.171 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.549 8.101 12.660 1.00 0.00 H new ATOM 0 HD12 ILE A 94 5.591 9.155 11.675 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.415 8.078 10.886 1.00 0.00 H new ATOM 1445 N PHE A 95 7.292 3.972 9.180 1.00 0.00 N ATOM 1446 CA PHE A 95 6.666 2.653 9.058 1.00 0.00 C ATOM 1447 C PHE A 95 7.342 1.652 9.993 1.00 0.00 C ATOM 1448 O PHE A 95 6.676 0.909 10.717 1.00 0.00 O ATOM 1449 CB PHE A 95 6.730 2.140 7.615 1.00 0.00 C ATOM 1450 CG PHE A 95 5.918 0.896 7.380 1.00 0.00 C ATOM 1451 CD1 PHE A 95 4.569 0.987 7.079 1.00 0.00 C ATOM 1452 CD2 PHE A 95 6.499 -0.361 7.458 1.00 0.00 C ATOM 1453 CE1 PHE A 95 3.813 -0.149 6.862 1.00 0.00 C ATOM 1454 CE2 PHE A 95 5.749 -1.502 7.242 1.00 0.00 C ATOM 1455 CZ PHE A 95 4.404 -1.396 6.944 1.00 0.00 C ATOM 0 H PHE A 95 7.673 4.348 8.312 1.00 0.00 H new ATOM 0 HA PHE A 95 5.618 2.756 9.341 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.380 2.924 6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.770 1.939 7.356 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.102 1.959 7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.550 -0.449 7.690 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.762 -0.063 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.214 -2.475 7.306 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.815 -2.286 6.775 1.00 0.00 H new ATOM 1465 N SER A 96 8.666 1.647 9.983 1.00 0.00 N ATOM 1466 CA SER A 96 9.424 0.769 10.855 1.00 0.00 C ATOM 1467 C SER A 96 9.477 1.342 12.268 1.00 0.00 C ATOM 1468 O SER A 96 9.387 0.610 13.252 1.00 0.00 O ATOM 1469 CB SER A 96 10.834 0.576 10.300 1.00 0.00 C ATOM 1470 OG SER A 96 11.422 1.824 9.971 1.00 0.00 O ATOM 0 H SER A 96 9.236 2.241 9.381 1.00 0.00 H new ATOM 0 HA SER A 96 8.929 -0.201 10.898 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.452 0.061 11.036 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.797 -0.058 9.414 1.00 0.00 H new ATOM 0 HG SER A 96 12.325 1.678 9.619 1.00 0.00 H new ATOM 1476 N ASP A 97 9.592 2.663 12.346 1.00 0.00 N ATOM 1477 CA ASP A 97 9.671 3.372 13.622 1.00 0.00 C ATOM 1478 C ASP A 97 8.448 3.075 14.487 1.00 0.00 C ATOM 1479 O ASP A 97 8.572 2.667 15.641 1.00 0.00 O ATOM 1480 CB ASP A 97 9.770 4.875 13.361 1.00 0.00 C ATOM 1481 CG ASP A 97 10.145 5.672 14.588 1.00 0.00 C ATOM 1482 OD1 ASP A 97 9.262 5.951 15.414 1.00 0.00 O ATOM 1483 OD2 ASP A 97 11.329 6.059 14.704 1.00 0.00 O ATOM 0 H ASP A 97 9.633 3.273 11.530 1.00 0.00 H new ATOM 0 HA ASP A 97 10.557 3.031 14.157 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.510 5.053 12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.814 5.234 12.981 1.00 0.00 H new ATOM 1670 N LEU A 110 -4.228 3.855 11.465 1.00 0.00 N ATOM 1671 CA LEU A 110 -3.713 2.561 11.868 1.00 0.00 C ATOM 1672 C LEU A 110 -4.764 1.479 11.665 1.00 0.00 C ATOM 1673 O LEU A 110 -4.614 0.352 12.139 1.00 0.00 O ATOM 1674 CB LEU A 110 -3.267 2.636 13.328 1.00 0.00 C ATOM 1675 CG LEU A 110 -2.178 3.683 13.598 1.00 0.00 C ATOM 1676 CD1 LEU A 110 -2.051 3.976 15.082 1.00 0.00 C ATOM 1677 CD2 LEU A 110 -0.845 3.215 13.035 1.00 0.00 C ATOM 0 HA LEU A 110 -2.855 2.298 11.249 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.133 2.860 13.950 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.899 1.657 13.635 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.468 4.607 13.098 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.272 4.721 15.240 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.000 4.357 15.460 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.791 3.060 15.613 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.082 3.967 13.234 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.560 2.275 13.508 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.936 3.066 11.959 1.00 0.00 H new ATOM 1689 N GLY A 111 -5.817 1.829 10.932 1.00 0.00 N ATOM 1690 CA GLY A 111 -6.883 0.886 10.662 1.00 0.00 C ATOM 1691 C GLY A 111 -6.448 -0.206 9.708 1.00 0.00 C ATOM 1692 O GLY A 111 -6.415 -1.380 10.074 1.00 0.00 O ATOM 0 H GLY A 111 -5.949 2.753 10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.216 0.438 11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.737 1.416 10.241 1.00 0.00 H new ATOM 1696 N ASP A 112 -6.094 0.185 8.487 1.00 0.00 N ATOM 1697 CA ASP A 112 -5.642 -0.766 7.474 1.00 0.00 C ATOM 1698 C ASP A 112 -4.319 -1.407 7.882 1.00 0.00 C ATOM 1699 O ASP A 112 -4.086 -2.585 7.624 1.00 0.00 O ATOM 1700 CB ASP A 112 -5.496 -0.077 6.114 1.00 0.00 C ATOM 1701 CG ASP A 112 -5.008 -1.021 5.030 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -5.779 -1.919 4.629 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -3.861 -0.856 4.570 1.00 0.00 O ATOM 0 H ASP A 112 -6.111 1.156 8.174 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.394 -1.550 7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.457 0.343 5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.799 0.756 6.206 1.00 0.00 H new ATOM 1708 N ILE A 113 -3.471 -0.632 8.556 1.00 0.00 N ATOM 1709 CA ILE A 113 -2.184 -1.137 9.027 1.00 0.00 C ATOM 1710 C ILE A 113 -2.388 -2.338 9.944 1.00 0.00 C ATOM 1711 O ILE A 113 -1.667 -3.332 9.850 1.00 0.00 O ATOM 1712 CB ILE A 113 -1.380 -0.046 9.773 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -1.070 1.124 8.833 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.088 -0.624 10.343 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.257 2.228 9.477 1.00 0.00 C ATOM 0 H ILE A 113 -3.652 0.345 8.787 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.613 -1.441 8.150 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.987 0.321 10.601 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.529 0.747 7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.008 1.542 8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.463 0.160 10.864 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.325 -1.426 11.042 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.523 -1.019 9.531 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.078 3.020 8.750 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.804 2.634 10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.697 1.826 9.818 1.00 0.00 H new ATOM 1727 N GLU A 114 -3.396 -2.251 10.806 1.00 0.00 N ATOM 1728 CA GLU A 114 -3.710 -3.331 11.734 1.00 0.00 C ATOM 1729 C GLU A 114 -4.008 -4.618 10.966 1.00 0.00 C ATOM 1730 O GLU A 114 -3.560 -5.701 11.344 1.00 0.00 O ATOM 1731 CB GLU A 114 -4.909 -2.945 12.603 1.00 0.00 C ATOM 1732 CG GLU A 114 -5.151 -3.883 13.776 1.00 0.00 C ATOM 1733 CD GLU A 114 -4.022 -3.847 14.788 1.00 0.00 C ATOM 1734 OE1 GLU A 114 -4.056 -2.990 15.695 1.00 0.00 O ATOM 1735 OE2 GLU A 114 -3.090 -4.674 14.685 1.00 0.00 O ATOM 0 H GLU A 114 -4.011 -1.441 10.881 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.848 -3.501 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -4.758 -1.935 12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.803 -2.921 11.980 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.085 -3.612 14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.270 -4.901 13.405 1.00 0.00 H new ATOM 1742 N ALA A 115 -4.742 -4.484 9.871 1.00 0.00 N ATOM 1743 CA ALA A 115 -5.090 -5.626 9.038 1.00 0.00 C ATOM 1744 C ALA A 115 -3.874 -6.135 8.272 1.00 0.00 C ATOM 1745 O ALA A 115 -3.588 -7.335 8.270 1.00 0.00 O ATOM 1746 CB ALA A 115 -6.208 -5.255 8.076 1.00 0.00 C ATOM 0 H ALA A 115 -5.109 -3.593 9.538 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.438 -6.429 9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.458 -6.118 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.087 -4.946 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.881 -4.435 7.437 1.00 0.00 H new ATOM 1752 N LEU A 116 -3.149 -5.208 7.651 1.00 0.00 N ATOM 1753 CA LEU A 116 -1.986 -5.546 6.833 1.00 0.00 C ATOM 1754 C LEU A 116 -0.953 -6.326 7.645 1.00 0.00 C ATOM 1755 O LEU A 116 -0.401 -7.315 7.167 1.00 0.00 O ATOM 1756 CB LEU A 116 -1.358 -4.267 6.253 1.00 0.00 C ATOM 1757 CG LEU A 116 -0.192 -4.481 5.274 1.00 0.00 C ATOM 1758 CD1 LEU A 116 -0.666 -5.180 4.008 1.00 0.00 C ATOM 1759 CD2 LEU A 116 0.472 -3.153 4.927 1.00 0.00 C ATOM 0 H LEU A 116 -3.348 -4.209 7.699 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.318 -6.181 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.137 -3.701 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.005 -3.650 7.080 1.00 0.00 H new ATOM 0 HG LEU A 116 0.543 -5.119 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.177 -5.320 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.089 -6.151 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.426 -4.571 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.294 -3.328 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.259 -2.491 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.856 -2.690 5.836 1.00 0.00 H new ATOM 1771 N GLN A 117 -0.721 -5.892 8.883 1.00 0.00 N ATOM 1772 CA GLN A 117 0.255 -6.532 9.769 1.00 0.00 C ATOM 1773 C GLN A 117 -0.050 -8.012 9.976 1.00 0.00 C ATOM 1774 O GLN A 117 0.850 -8.848 9.918 1.00 0.00 O ATOM 1775 CB GLN A 117 0.280 -5.829 11.122 1.00 0.00 C ATOM 1776 CG GLN A 117 0.876 -4.435 11.084 1.00 0.00 C ATOM 1777 CD GLN A 117 0.618 -3.670 12.365 1.00 0.00 C ATOM 1778 OE1 GLN A 117 -0.513 -3.947 12.995 1.00 0.00 O flip ATOM 1779 NE2 GLN A 117 1.419 -2.835 12.779 1.00 0.00 N flip ATOM 0 H GLN A 117 -1.199 -5.093 9.299 1.00 0.00 H new ATOM 0 HA GLN A 117 1.230 -6.449 9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -0.738 -5.767 11.506 1.00 0.00 H new ATOM 0 HB3 GLN A 117 0.849 -6.437 11.825 1.00 0.00 H new ATOM 0 HG2 GLN A 117 1.950 -4.505 10.914 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.456 -3.884 10.242 1.00 0.00 H new ATOM 0 HE21 GLN A 117 2.279 -2.653 12.262 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.224 -2.324 13.640 1.00 0.00 H new ATOM 1788 N GLY A 118 -1.317 -8.328 10.219 1.00 0.00 N ATOM 1789 CA GLY A 118 -1.706 -9.709 10.443 1.00 0.00 C ATOM 1790 C GLY A 118 -1.461 -10.568 9.221 1.00 0.00 C ATOM 1791 O GLY A 118 -0.925 -11.672 9.318 1.00 0.00 O ATOM 0 H GLY A 118 -2.081 -7.654 10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -1.147 -10.111 11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -2.762 -9.750 10.710 1.00 0.00 H new ATOM 1795 N VAL A 119 -1.841 -10.041 8.068 1.00 0.00 N ATOM 1796 CA VAL A 119 -1.653 -10.726 6.796 1.00 0.00 C ATOM 1797 C VAL A 119 -0.160 -10.953 6.524 1.00 0.00 C ATOM 1798 O VAL A 119 0.238 -11.988 5.998 1.00 0.00 O ATOM 1799 CB VAL A 119 -2.280 -9.896 5.647 1.00 0.00 C ATOM 1800 CG1 VAL A 119 -2.206 -10.624 4.316 1.00 0.00 C ATOM 1801 CG2 VAL A 119 -3.724 -9.546 5.968 1.00 0.00 C ATOM 0 H VAL A 119 -2.288 -9.128 7.986 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.149 -11.695 6.847 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.699 -8.978 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.656 -10.007 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.163 -10.819 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.745 -11.569 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.148 -8.963 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.300 -10.462 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.761 -8.961 6.887 1.00 0.00 H new ATOM 1811 N SER A 120 0.650 -9.997 6.955 1.00 0.00 N ATOM 1812 CA SER A 120 2.083 -9.946 6.657 1.00 0.00 C ATOM 1813 C SER A 120 2.884 -11.143 7.176 1.00 0.00 C ATOM 1814 O SER A 120 4.027 -11.333 6.768 1.00 0.00 O ATOM 1815 CB SER A 120 2.689 -8.655 7.209 1.00 0.00 C ATOM 1816 OG SER A 120 2.134 -7.514 6.575 1.00 0.00 O ATOM 0 H SER A 120 0.329 -9.219 7.532 1.00 0.00 H new ATOM 0 HA SER A 120 2.154 -9.979 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.513 -8.598 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.769 -8.666 7.063 1.00 0.00 H new ATOM 0 HG SER A 120 1.156 -7.564 6.610 1.00 0.00 H new ATOM 1822 N LYS A 121 2.321 -11.949 8.063 1.00 0.00 N ATOM 1823 CA LYS A 121 3.162 -12.833 8.857 1.00 0.00 C ATOM 1824 C LYS A 121 2.734 -14.284 8.742 1.00 0.00 C ATOM 1825 O LYS A 121 3.554 -15.188 8.901 1.00 0.00 O ATOM 1826 CB LYS A 121 3.200 -12.387 10.323 1.00 0.00 C ATOM 1827 CG LYS A 121 1.848 -12.349 11.013 1.00 0.00 C ATOM 1828 CD LYS A 121 1.988 -11.922 12.467 1.00 0.00 C ATOM 1829 CE LYS A 121 2.879 -12.878 13.245 1.00 0.00 C ATOM 1830 NZ LYS A 121 3.114 -12.419 14.638 1.00 0.00 N ATOM 0 H LYS A 121 1.320 -12.011 8.248 1.00 0.00 H new ATOM 0 HA LYS A 121 4.171 -12.763 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.855 -13.060 10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.646 -11.394 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.188 -11.657 10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 121 1.383 -13.333 10.963 1.00 0.00 H new ATOM 0 HD2 LYS A 121 2.404 -10.916 12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 121 1.003 -11.881 12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.420 -13.866 13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.835 -12.980 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.726 -13.101 15.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.576 -11.487 14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.205 -12.347 15.138 1.00 0.00 H new ATOM 1844 N PHE A 122 1.460 -14.516 8.473 1.00 0.00 N ATOM 1845 CA PHE A 122 0.998 -15.863 8.192 1.00 0.00 C ATOM 1846 C PHE A 122 1.626 -16.342 6.896 1.00 0.00 C ATOM 1847 O PHE A 122 1.518 -15.662 5.880 1.00 0.00 O ATOM 1848 CB PHE A 122 -0.523 -15.912 8.065 1.00 0.00 C ATOM 1849 CG PHE A 122 -1.248 -15.589 9.332 1.00 0.00 C ATOM 1850 CD1 PHE A 122 -1.159 -16.428 10.429 1.00 0.00 C ATOM 1851 CD2 PHE A 122 -2.021 -14.448 9.423 1.00 0.00 C ATOM 1852 CE1 PHE A 122 -1.831 -16.134 11.596 1.00 0.00 C ATOM 1853 CE2 PHE A 122 -2.697 -14.147 10.587 1.00 0.00 C ATOM 1854 CZ PHE A 122 -2.603 -14.990 11.678 1.00 0.00 C ATOM 0 H PHE A 122 0.736 -13.798 8.443 1.00 0.00 H new ATOM 0 HA PHE A 122 1.292 -16.509 9.019 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.836 -15.212 7.290 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -0.818 -16.907 7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.557 -17.323 10.370 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.097 -13.785 8.574 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.755 -16.797 12.445 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -3.300 -13.253 10.646 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.130 -14.756 12.591 1.00 0.00 H new ATOM 1864 N PRO A 123 2.282 -17.513 6.903 1.00 0.00 N ATOM 1865 CA PRO A 123 2.935 -18.061 5.705 1.00 0.00 C ATOM 1866 C PRO A 123 1.971 -18.189 4.527 1.00 0.00 C ATOM 1867 O PRO A 123 2.389 -18.312 3.376 1.00 0.00 O ATOM 1868 CB PRO A 123 3.416 -19.442 6.157 1.00 0.00 C ATOM 1869 CG PRO A 123 3.532 -19.338 7.638 1.00 0.00 C ATOM 1870 CD PRO A 123 2.447 -18.394 8.072 1.00 0.00 C ATOM 0 HA PRO A 123 3.737 -17.415 5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 123 2.710 -20.221 5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.373 -19.696 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.412 -20.314 8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.514 -18.964 7.927 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.525 -18.923 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.733 -17.833 8.962 1.00 0.00 H new ATOM 1878 N ALA A 124 0.681 -18.132 4.824 1.00 0.00 N ATOM 1879 CA ALA A 124 -0.344 -18.252 3.807 1.00 0.00 C ATOM 1880 C ALA A 124 -0.790 -16.890 3.266 1.00 0.00 C ATOM 1881 O ALA A 124 -1.380 -16.819 2.186 1.00 0.00 O ATOM 1882 CB ALA A 124 -1.538 -19.015 4.357 1.00 0.00 C ATOM 0 H ALA A 124 0.321 -18.002 5.770 1.00 0.00 H new ATOM 0 HA ALA A 124 0.089 -18.804 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.303 -19.100 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.222 -20.011 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.947 -18.482 5.215 1.00 0.00 H new ATOM 1888 N ARG A 125 -0.510 -15.795 3.981 1.00 0.00 N ATOM 1889 CA ARG A 125 -0.985 -14.498 3.537 1.00 0.00 C ATOM 1890 C ARG A 125 0.167 -13.514 3.455 1.00 0.00 C ATOM 1891 O ARG A 125 -0.016 -12.350 3.116 1.00 0.00 O ATOM 1892 CB ARG A 125 -2.079 -13.960 4.470 1.00 0.00 C ATOM 1893 CG ARG A 125 -3.445 -14.601 4.259 1.00 0.00 C ATOM 1894 CD ARG A 125 -3.620 -15.881 5.065 1.00 0.00 C ATOM 1895 NE ARG A 125 -3.823 -15.612 6.490 1.00 0.00 N ATOM 1896 CZ ARG A 125 -4.840 -16.107 7.203 1.00 0.00 C ATOM 1897 NH1 ARG A 125 -5.740 -16.895 6.631 1.00 0.00 N ATOM 1898 NH2 ARG A 125 -4.948 -15.822 8.494 1.00 0.00 N ATOM 0 H ARG A 125 0.030 -15.787 4.847 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.417 -14.619 2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.771 -14.118 5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -2.168 -12.883 4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.223 -13.891 4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.580 -14.821 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.472 -16.439 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.741 -16.512 4.937 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.149 -15.012 6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -5.659 -17.127 5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.513 -17.269 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.255 -15.224 8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.724 -16.200 9.037 1.00 0.00 H new ATOM 1912 N ILE A 126 1.368 -14.020 3.685 1.00 0.00 N ATOM 1913 CA ILE A 126 2.542 -13.170 3.839 1.00 0.00 C ATOM 1914 C ILE A 126 2.929 -12.605 2.494 1.00 0.00 C ATOM 1915 O ILE A 126 3.429 -11.488 2.377 1.00 0.00 O ATOM 1916 CB ILE A 126 3.739 -13.948 4.450 1.00 0.00 C ATOM 1917 CG1 ILE A 126 4.990 -13.066 4.491 1.00 0.00 C ATOM 1918 CG2 ILE A 126 4.012 -15.229 3.670 1.00 0.00 C ATOM 1919 CD1 ILE A 126 6.176 -13.718 5.164 1.00 0.00 C ATOM 0 H ILE A 126 1.558 -15.019 3.770 1.00 0.00 H new ATOM 0 HA ILE A 126 2.290 -12.362 4.526 1.00 0.00 H new ATOM 0 HB ILE A 126 3.477 -14.223 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 126 5.266 -12.796 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 126 4.752 -12.139 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.855 -15.755 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.129 -15.867 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.248 -14.982 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 126 7.023 -13.032 5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 126 5.920 -13.963 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.442 -14.630 4.629 1.00 0.00 H new ATOM 1931 N LYS A 127 2.633 -13.378 1.475 1.00 0.00 N ATOM 1932 CA LYS A 127 2.987 -13.021 0.117 1.00 0.00 C ATOM 1933 C LYS A 127 1.912 -12.122 -0.481 1.00 0.00 C ATOM 1934 O LYS A 127 2.141 -11.418 -1.455 1.00 0.00 O ATOM 1935 CB LYS A 127 3.208 -14.285 -0.711 1.00 0.00 C ATOM 1936 CG LYS A 127 4.295 -15.174 -0.131 1.00 0.00 C ATOM 1937 CD LYS A 127 4.510 -16.430 -0.955 1.00 0.00 C ATOM 1938 CE LYS A 127 5.625 -17.284 -0.369 1.00 0.00 C ATOM 1939 NZ LYS A 127 6.914 -16.545 -0.302 1.00 0.00 N ATOM 0 H LYS A 127 2.142 -14.268 1.561 1.00 0.00 H new ATOM 0 HA LYS A 127 3.921 -12.459 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 127 2.275 -14.846 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 127 3.476 -14.006 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.228 -14.614 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.029 -15.452 0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 127 3.586 -17.007 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 127 4.757 -16.158 -1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 127 5.343 -17.613 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 127 5.752 -18.181 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.693 -17.219 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.063 -16.025 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.888 -15.873 0.492 1.00 0.00 H new ATOM 1953 N CYS A 128 0.739 -12.148 0.135 1.00 0.00 N ATOM 1954 CA CYS A 128 -0.339 -11.248 -0.242 1.00 0.00 C ATOM 1955 C CYS A 128 -0.117 -9.893 0.414 1.00 0.00 C ATOM 1956 O CYS A 128 -0.449 -8.846 -0.146 1.00 0.00 O ATOM 1957 CB CYS A 128 -1.688 -11.815 0.202 1.00 0.00 C ATOM 1958 SG CYS A 128 -2.072 -13.452 -0.463 1.00 0.00 S ATOM 0 H CYS A 128 0.510 -12.784 0.899 1.00 0.00 H new ATOM 0 HA CYS A 128 -0.345 -11.138 -1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -1.705 -11.866 1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -2.475 -11.122 -0.097 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.225 -13.417 -1.063 1.00 0.00 H new ATOM 1964 N ALA A 129 0.458 -9.928 1.607 1.00 0.00 N ATOM 1965 CA ALA A 129 0.730 -8.715 2.354 1.00 0.00 C ATOM 1966 C ALA A 129 1.957 -8.011 1.811 1.00 0.00 C ATOM 1967 O ALA A 129 1.920 -6.812 1.557 1.00 0.00 O ATOM 1968 CB ALA A 129 0.914 -9.024 3.820 1.00 0.00 C ATOM 0 H ALA A 129 0.745 -10.787 2.077 1.00 0.00 H new ATOM 0 HA ALA A 129 -0.127 -8.051 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.117 -8.101 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.007 -9.484 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 129 1.751 -9.711 3.945 1.00 0.00 H new ATOM 1974 N THR A 130 3.041 -8.760 1.617 1.00 0.00 N ATOM 1975 CA THR A 130 4.264 -8.191 1.064 1.00 0.00 C ATOM 1976 C THR A 130 4.009 -7.653 -0.340 1.00 0.00 C ATOM 1977 O THR A 130 4.660 -6.709 -0.781 1.00 0.00 O ATOM 1978 CB THR A 130 5.415 -9.217 1.030 1.00 0.00 C ATOM 1979 OG1 THR A 130 4.958 -10.452 0.469 1.00 0.00 O ATOM 1980 CG2 THR A 130 5.966 -9.462 2.428 1.00 0.00 C ATOM 0 H THR A 130 3.096 -9.755 1.833 1.00 0.00 H new ATOM 0 HA THR A 130 4.566 -7.374 1.719 1.00 0.00 H new ATOM 0 HB THR A 130 6.213 -8.811 0.408 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.660 -11.047 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.776 -10.189 2.377 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.343 -8.526 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.173 -9.847 3.069 1.00 0.00 H new ATOM 1988 N LEU A 131 3.046 -8.266 -1.019 1.00 0.00 N ATOM 1989 CA LEU A 131 2.559 -7.780 -2.302 1.00 0.00 C ATOM 1990 C LEU A 131 2.110 -6.325 -2.186 1.00 0.00 C ATOM 1991 O LEU A 131 2.573 -5.459 -2.929 1.00 0.00 O ATOM 1992 CB LEU A 131 1.408 -8.685 -2.766 1.00 0.00 C ATOM 1993 CG LEU A 131 0.648 -8.244 -4.015 1.00 0.00 C ATOM 1994 CD1 LEU A 131 0.174 -9.459 -4.786 1.00 0.00 C ATOM 1995 CD2 LEU A 131 -0.551 -7.384 -3.640 1.00 0.00 C ATOM 0 H LEU A 131 2.582 -9.114 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 131 3.359 -7.814 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 131 1.811 -9.681 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.694 -8.774 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 131 1.323 -7.655 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.367 -9.137 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.034 -10.060 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.486 -10.055 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.078 -7.081 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.224 -7.957 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.210 -6.498 -3.104 1.00 0.00 H new ATOM 2007 N SER A 132 1.228 -6.059 -1.231 1.00 0.00 N ATOM 2008 CA SER A 132 0.700 -4.716 -1.029 1.00 0.00 C ATOM 2009 C SER A 132 1.737 -3.823 -0.346 1.00 0.00 C ATOM 2010 O SER A 132 1.871 -2.635 -0.665 1.00 0.00 O ATOM 2011 CB SER A 132 -0.580 -4.784 -0.191 1.00 0.00 C ATOM 2012 OG SER A 132 -1.504 -5.702 -0.754 1.00 0.00 O ATOM 0 H SER A 132 0.863 -6.757 -0.583 1.00 0.00 H new ATOM 0 HA SER A 132 0.467 -4.281 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 132 -0.337 -5.085 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.034 -3.795 -0.132 1.00 0.00 H new ATOM 0 HG SER A 132 -1.185 -6.617 -0.610 1.00 0.00 H new ATOM 2018 N TRP A 133 2.488 -4.412 0.574 1.00 0.00 N ATOM 2019 CA TRP A 133 3.496 -3.689 1.326 1.00 0.00 C ATOM 2020 C TRP A 133 4.562 -3.150 0.390 1.00 0.00 C ATOM 2021 O TRP A 133 4.841 -1.955 0.388 1.00 0.00 O ATOM 2022 CB TRP A 133 4.118 -4.596 2.395 1.00 0.00 C ATOM 2023 CG TRP A 133 5.338 -4.017 3.048 1.00 0.00 C ATOM 2024 CD1 TRP A 133 5.449 -2.800 3.657 1.00 0.00 C ATOM 2025 CD2 TRP A 133 6.621 -4.643 3.167 1.00 0.00 C ATOM 2026 NE1 TRP A 133 6.727 -2.625 4.130 1.00 0.00 N ATOM 2027 CE2 TRP A 133 7.462 -3.746 3.847 1.00 0.00 C ATOM 2028 CE3 TRP A 133 7.136 -5.878 2.762 1.00 0.00 C ATOM 2029 CZ2 TRP A 133 8.793 -4.042 4.130 1.00 0.00 C ATOM 2030 CZ3 TRP A 133 8.458 -6.170 3.043 1.00 0.00 C ATOM 2031 CH2 TRP A 133 9.272 -5.257 3.723 1.00 0.00 C ATOM 0 H TRP A 133 2.414 -5.400 0.817 1.00 0.00 H new ATOM 0 HA TRP A 133 3.022 -2.846 1.829 1.00 0.00 H new ATOM 0 HB2 TRP A 133 3.371 -4.803 3.161 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.380 -5.551 1.940 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.649 -2.080 3.753 1.00 0.00 H new ATOM 0 HE1 TRP A 133 7.072 -1.796 4.613 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.514 -6.590 2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 9.424 -3.338 4.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 8.869 -7.119 2.732 1.00 0.00 H new ATOM 0 HH2 TRP A 133 10.299 -5.517 3.931 1.00 0.00 H new ATOM 2042 N LYS A 134 5.120 -4.021 -0.437 1.00 0.00 N ATOM 2043 CA LYS A 134 6.188 -3.618 -1.342 1.00 0.00 C ATOM 2044 C LYS A 134 5.658 -2.753 -2.472 1.00 0.00 C ATOM 2045 O LYS A 134 6.416 -2.030 -3.107 1.00 0.00 O ATOM 2046 CB LYS A 134 6.942 -4.822 -1.906 1.00 0.00 C ATOM 2047 CG LYS A 134 7.830 -5.509 -0.884 1.00 0.00 C ATOM 2048 CD LYS A 134 8.877 -6.381 -1.555 1.00 0.00 C ATOM 2049 CE LYS A 134 9.861 -6.945 -0.544 1.00 0.00 C ATOM 2050 NZ LYS A 134 11.016 -7.604 -1.205 1.00 0.00 N ATOM 0 H LYS A 134 4.855 -5.004 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 134 6.891 -3.027 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 134 6.222 -5.543 -2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.553 -4.497 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 134 8.322 -4.759 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 134 7.218 -6.119 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 134 8.387 -7.199 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.415 -5.797 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.220 -6.142 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 134 9.351 -7.664 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 11.664 -7.976 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.676 -8.386 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.518 -6.912 -1.797 1.00 0.00 H new ATOM 2064 N ALA A 135 4.359 -2.818 -2.725 1.00 0.00 N ATOM 2065 CA ALA A 135 3.749 -1.923 -3.693 1.00 0.00 C ATOM 2066 C ALA A 135 4.028 -0.477 -3.297 1.00 0.00 C ATOM 2067 O ALA A 135 4.391 0.353 -4.129 1.00 0.00 O ATOM 2068 CB ALA A 135 2.253 -2.175 -3.803 1.00 0.00 C ATOM 0 H ALA A 135 3.716 -3.472 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 135 4.186 -2.114 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.822 -1.491 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.080 -3.203 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.784 -2.011 -2.833 1.00 0.00 H new ATOM 2074 N LEU A 136 3.886 -0.187 -2.009 1.00 0.00 N ATOM 2075 CA LEU A 136 4.168 1.152 -1.509 1.00 0.00 C ATOM 2076 C LEU A 136 5.632 1.284 -1.117 1.00 0.00 C ATOM 2077 O LEU A 136 6.325 2.205 -1.556 1.00 0.00 O ATOM 2078 CB LEU A 136 3.266 1.508 -0.323 1.00 0.00 C ATOM 2079 CG LEU A 136 1.869 2.033 -0.686 1.00 0.00 C ATOM 2080 CD1 LEU A 136 1.962 3.131 -1.732 1.00 0.00 C ATOM 2081 CD2 LEU A 136 0.967 0.917 -1.178 1.00 0.00 C ATOM 0 H LEU A 136 3.581 -0.853 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 136 3.957 1.854 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.151 0.622 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.772 2.261 0.282 1.00 0.00 H new ATOM 0 HG LEU A 136 1.429 2.448 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.961 3.488 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.557 3.956 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.434 2.737 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -0.013 1.324 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 136 1.405 0.460 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.860 0.164 -0.397 1.00 0.00 H new ATOM 2093 N GLU A 137 6.091 0.324 -0.318 1.00 0.00 N ATOM 2094 CA GLU A 137 7.419 0.354 0.288 1.00 0.00 C ATOM 2095 C GLU A 137 8.512 0.318 -0.772 1.00 0.00 C ATOM 2096 O GLU A 137 9.611 0.825 -0.564 1.00 0.00 O ATOM 2097 CB GLU A 137 7.587 -0.846 1.224 1.00 0.00 C ATOM 2098 CG GLU A 137 8.739 -0.707 2.205 1.00 0.00 C ATOM 2099 CD GLU A 137 8.413 0.231 3.347 1.00 0.00 C ATOM 2100 OE1 GLU A 137 8.408 1.457 3.128 1.00 0.00 O ATOM 2101 OE2 GLU A 137 8.163 -0.262 4.469 1.00 0.00 O ATOM 0 H GLU A 137 5.547 -0.503 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 137 7.511 1.284 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 137 6.662 -0.990 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.740 -1.743 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.992 -1.689 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 137 9.620 -0.341 1.678 1.00 0.00 H new ATOM 2108 N LYS A 138 8.213 -0.290 -1.906 1.00 0.00 N ATOM 2109 CA LYS A 138 9.210 -0.415 -2.965 1.00 0.00 C ATOM 2110 C LYS A 138 8.897 0.532 -4.118 1.00 0.00 C ATOM 2111 O LYS A 138 9.765 0.847 -4.933 1.00 0.00 O ATOM 2112 CB LYS A 138 9.292 -1.863 -3.465 1.00 0.00 C ATOM 2113 CG LYS A 138 10.415 -2.106 -4.458 1.00 0.00 C ATOM 2114 CD LYS A 138 10.420 -3.536 -4.966 1.00 0.00 C ATOM 2115 CE LYS A 138 11.597 -3.780 -5.895 1.00 0.00 C ATOM 2116 NZ LYS A 138 11.545 -2.911 -7.100 1.00 0.00 N ATOM 0 H LYS A 138 7.304 -0.700 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 138 10.180 -0.140 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.426 -2.526 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.344 -2.131 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 138 10.310 -1.422 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.372 -1.885 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 138 10.469 -4.225 -4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.488 -3.742 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 138 12.527 -3.598 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.606 -4.826 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.252 -3.233 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 10.597 -2.963 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 11.749 -1.928 -6.828 1.00 0.00 H new ATOM 2130 N GLY A 139 7.656 0.991 -4.175 1.00 0.00 N ATOM 2131 CA GLY A 139 7.241 1.867 -5.249 1.00 0.00 C ATOM 2132 C GLY A 139 7.753 3.284 -5.080 1.00 0.00 C ATOM 2133 O GLY A 139 8.561 3.762 -5.877 1.00 0.00 O ATOM 0 H GLY A 139 6.928 0.772 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 139 7.599 1.467 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 139 6.152 1.882 -5.300 1.00 0.00 H new ATOM 2137 N VAL A 140 7.294 3.953 -4.034 1.00 0.00 N ATOM 2138 CA VAL A 140 7.638 5.351 -3.813 1.00 0.00 C ATOM 2139 C VAL A 140 8.360 5.529 -2.479 1.00 0.00 C ATOM 2140 O VAL A 140 9.033 6.533 -2.248 1.00 0.00 O ATOM 2141 CB VAL A 140 6.372 6.243 -3.856 1.00 0.00 C ATOM 2142 CG1 VAL A 140 5.421 5.910 -2.712 1.00 0.00 C ATOM 2143 CG2 VAL A 140 6.739 7.721 -3.849 1.00 0.00 C ATOM 0 H VAL A 140 6.682 3.551 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 140 8.309 5.660 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 140 5.853 6.032 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.543 6.553 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.113 4.867 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.927 6.071 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.830 8.322 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 140 7.297 7.953 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 140 7.353 7.948 -4.720 1.00 0.00 H new ATOM 2153 N ALA A 141 8.238 4.534 -1.617 1.00 0.00 N ATOM 2154 CA ALA A 141 8.823 4.593 -0.288 1.00 0.00 C ATOM 2155 C ALA A 141 10.166 3.862 -0.252 1.00 0.00 C ATOM 2156 O ALA A 141 10.679 3.460 -1.303 1.00 0.00 O ATOM 2157 CB ALA A 141 7.845 3.999 0.711 1.00 0.00 C ATOM 0 H ALA A 141 7.735 3.669 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 141 9.015 5.632 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.277 4.040 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 141 6.916 4.569 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 141 7.640 2.962 0.446 1.00 0.00 H new ATOM 2163 N LYS A 142 10.736 3.707 0.952 1.00 0.00 N ATOM 2164 CA LYS A 142 12.001 2.988 1.133 1.00 0.00 C ATOM 2165 C LYS A 142 12.460 3.032 2.596 1.00 0.00 C ATOM 2166 O LYS A 142 12.629 1.983 3.220 1.00 0.00 O ATOM 2167 CB LYS A 142 13.109 3.569 0.227 1.00 0.00 C ATOM 2168 CG LYS A 142 14.312 2.646 0.010 1.00 0.00 C ATOM 2169 CD LYS A 142 15.165 2.492 1.262 1.00 0.00 C ATOM 2170 CE LYS A 142 16.311 1.516 1.054 1.00 0.00 C ATOM 2171 NZ LYS A 142 16.992 1.178 2.336 1.00 0.00 N ATOM 0 H LYS A 142 10.337 4.072 1.817 1.00 0.00 H new ATOM 0 HA LYS A 142 11.823 1.950 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 142 12.675 3.811 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 142 13.461 4.505 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 142 13.960 1.665 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 142 14.927 3.041 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 142 15.565 3.464 1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 142 14.540 2.147 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 142 15.932 0.604 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 142 17.034 1.947 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 17.767 0.510 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 17.376 2.045 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 16.308 0.743 2.988 1.00 0.00 H new ATOM 2185 N GLU A 143 12.604 4.247 3.146 1.00 0.00 N ATOM 2186 CA GLU A 143 13.358 4.479 4.382 1.00 0.00 C ATOM 2187 C GLU A 143 13.796 5.945 4.397 1.00 0.00 C ATOM 2188 O GLU A 143 13.317 6.726 3.584 1.00 0.00 O ATOM 2189 CB GLU A 143 14.598 3.581 4.449 1.00 0.00 C ATOM 2190 CG GLU A 143 15.126 3.361 5.853 1.00 0.00 C ATOM 2191 CD GLU A 143 16.630 3.389 5.888 1.00 0.00 C ATOM 2192 OE1 GLU A 143 17.255 2.335 5.666 1.00 0.00 O ATOM 2193 OE2 GLU A 143 17.187 4.482 6.111 1.00 0.00 O ATOM 0 H GLU A 143 12.201 5.094 2.745 1.00 0.00 H new ATOM 0 HA GLU A 143 12.727 4.247 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 143 14.358 2.614 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 143 15.387 4.023 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 143 14.731 4.131 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 143 14.770 2.402 6.230 1.00 0.00 H new ATOM 2200 N GLU A 144 14.720 6.315 5.275 1.00 0.00 N ATOM 2201 CA GLU A 144 15.139 7.707 5.371 1.00 0.00 C ATOM 2202 C GLU A 144 16.462 7.966 4.642 1.00 0.00 C ATOM 2203 O GLU A 144 16.622 9.007 4.003 1.00 0.00 O ATOM 2204 CB GLU A 144 15.206 8.151 6.842 1.00 0.00 C ATOM 2205 CG GLU A 144 16.098 7.297 7.732 1.00 0.00 C ATOM 2206 CD GLU A 144 17.490 7.873 7.895 1.00 0.00 C ATOM 2207 OE1 GLU A 144 17.621 8.953 8.511 1.00 0.00 O ATOM 2208 OE2 GLU A 144 18.460 7.244 7.429 1.00 0.00 O ATOM 0 H GLU A 144 15.188 5.681 5.922 1.00 0.00 H new ATOM 0 HA GLU A 144 14.386 8.312 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 144 15.561 9.181 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 144 14.197 8.146 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 144 15.634 7.196 8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 144 16.172 6.295 7.310 1.00 0.00 H new