USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 742 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 46 HIS : no HE2:sc= -6.2! C(o=-6.6!,f=-13!) USER MOD Set 1.2: A 48 CYS SG : rot -4:sc= -0.432 USER MOD Set 2.1: A 6 GLN : amide:sc= -0.0606 X(o=-0.13,f=0) USER MOD Set 2.2: A 30 ASN : amide:sc= -0.0743 X(o=-0.13,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -58:sc= 1.01 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.38 K(o=-0.38,f=-1.2!) USER MOD Single : A 22 THR OG1 : rot -160:sc= -1.76! USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -2.16 (180deg=-3.59!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.76 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.329 USER MOD Single : A 47 ASN :FLIP amide:sc= 1.08 F(o=-0.4,f=1.1) USER MOD Single : A 51 THR OG1 : rot -170:sc= -0.149 USER MOD Single : A 55 MET CE :methyl -143:sc= -0.189 (180deg=-0.836) USER MOD Single : A 56 SER OG : rot -13:sc= 0.851 USER MOD Single : A 58 SER OG : rot -102:sc= 0.112 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.0629 (180deg=-0.362) USER MOD Single : A 62 CYS SG : rot 27:sc= -0.995 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.286 F(o=-1.1!,f=-0.29) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.957 K(o=-0.96,f=-8!) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -0.0242 (180deg=-0.244) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 79 LYS NZ :NH3+ -145:sc= -2.93! (180deg=-5.68!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.191 USER MOD Single : A 83 LYS NZ :NH3+ -144:sc= -3.25! (180deg=-5.73!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -95:sc= -0.0407 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -144:sc= -3.4! (180deg=-6.85!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -23.893 8.580 0.321 1.00 0.00 N ATOM 2 CA HIS A 3 -24.010 8.585 -1.161 1.00 0.00 C ATOM 3 C HIS A 3 -23.035 7.589 -1.792 1.00 0.00 C ATOM 4 O HIS A 3 -22.852 6.484 -1.282 1.00 0.00 O ATOM 5 CB HIS A 3 -23.731 10.004 -1.664 1.00 0.00 C ATOM 6 CG HIS A 3 -24.670 11.030 -1.108 1.00 0.00 C ATOM 7 ND1 HIS A 3 -26.036 10.977 -1.290 1.00 0.00 N ATOM 8 CD2 HIS A 3 -24.433 12.142 -0.371 1.00 0.00 C ATOM 9 CE1 HIS A 3 -26.598 12.012 -0.690 1.00 0.00 C ATOM 10 NE2 HIS A 3 -25.648 12.732 -0.125 1.00 0.00 N ATOM 0 HA HIS A 3 -25.016 8.280 -1.448 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.709 10.279 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -23.796 10.015 -2.752 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -23.469 12.498 -0.039 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -27.655 12.231 -0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -25.793 13.589 0.409 1.00 0.00 H new ATOM 21 N MET A 4 -22.411 7.987 -2.900 1.00 0.00 N ATOM 22 CA MET A 4 -21.459 7.126 -3.593 1.00 0.00 C ATOM 23 C MET A 4 -20.266 6.797 -2.701 1.00 0.00 C ATOM 24 O MET A 4 -19.742 7.665 -2.002 1.00 0.00 O ATOM 25 CB MET A 4 -20.976 7.799 -4.879 1.00 0.00 C ATOM 26 CG MET A 4 -22.094 8.120 -5.855 1.00 0.00 C ATOM 27 SD MET A 4 -21.496 8.921 -7.356 1.00 0.00 S ATOM 28 CE MET A 4 -23.027 9.136 -8.259 1.00 0.00 C ATOM 0 H MET A 4 -22.549 8.899 -3.335 1.00 0.00 H new ATOM 0 HA MET A 4 -21.968 6.195 -3.843 1.00 0.00 H new ATOM 0 HB2 MET A 4 -20.453 8.721 -4.623 1.00 0.00 H new ATOM 0 HB3 MET A 4 -20.252 7.148 -5.370 1.00 0.00 H new ATOM 0 HG2 MET A 4 -22.614 7.200 -6.121 1.00 0.00 H new ATOM 0 HG3 MET A 4 -22.822 8.768 -5.367 1.00 0.00 H new ATOM 0 HE1 MET A 4 -22.821 9.621 -9.213 1.00 0.00 H new ATOM 0 HE2 MET A 4 -23.484 8.163 -8.437 1.00 0.00 H new ATOM 0 HE3 MET A 4 -23.709 9.756 -7.677 1.00 0.00 H new ATOM 38 N ARG A 5 -19.843 5.537 -2.731 1.00 0.00 N ATOM 39 CA ARG A 5 -18.711 5.090 -1.927 1.00 0.00 C ATOM 40 C ARG A 5 -17.433 5.826 -2.323 1.00 0.00 C ATOM 41 O ARG A 5 -17.041 5.826 -3.490 1.00 0.00 O ATOM 42 CB ARG A 5 -18.520 3.584 -2.080 1.00 0.00 C ATOM 43 CG ARG A 5 -19.689 2.777 -1.540 1.00 0.00 C ATOM 44 CD ARG A 5 -19.438 1.286 -1.662 1.00 0.00 C ATOM 45 NE ARG A 5 -19.341 0.855 -3.055 1.00 0.00 N ATOM 46 CZ ARG A 5 -20.346 0.926 -3.925 1.00 0.00 C ATOM 47 NH1 ARG A 5 -21.527 1.395 -3.544 1.00 0.00 N ATOM 48 NH2 ARG A 5 -20.171 0.521 -5.175 1.00 0.00 N ATOM 0 H ARG A 5 -20.267 4.807 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 5 -18.924 5.318 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -18.379 3.347 -3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -17.609 3.285 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -19.858 3.034 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -20.596 3.040 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -18.516 1.030 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -20.245 0.742 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 5 -18.451 0.478 -3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -21.667 1.703 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -22.295 1.448 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -19.266 0.155 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -20.941 0.576 -5.841 1.00 0.00 H new ATOM 62 N GLN A 6 -16.790 6.452 -1.341 1.00 0.00 N ATOM 63 CA GLN A 6 -15.557 7.195 -1.580 1.00 0.00 C ATOM 64 C GLN A 6 -14.371 6.248 -1.765 1.00 0.00 C ATOM 65 O GLN A 6 -14.278 5.222 -1.091 1.00 0.00 O ATOM 66 CB GLN A 6 -15.283 8.154 -0.420 1.00 0.00 C ATOM 67 CG GLN A 6 -15.127 7.459 0.923 1.00 0.00 C ATOM 68 CD GLN A 6 -14.859 8.433 2.054 1.00 0.00 C ATOM 69 OE1 GLN A 6 -15.672 9.313 2.337 1.00 0.00 O ATOM 70 NE2 GLN A 6 -13.713 8.280 2.708 1.00 0.00 N ATOM 0 H GLN A 6 -17.104 6.459 -0.370 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.683 7.770 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.376 8.720 -0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.099 8.873 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.032 6.893 1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.308 6.742 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.068 7.537 2.440 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.478 8.906 3.478 1.00 0.00 H new ATOM 79 N PRO A 7 -13.439 6.585 -2.677 1.00 0.00 N ATOM 80 CA PRO A 7 -12.254 5.760 -2.935 1.00 0.00 C ATOM 81 C PRO A 7 -11.366 5.641 -1.700 1.00 0.00 C ATOM 82 O PRO A 7 -11.264 6.581 -0.911 1.00 0.00 O ATOM 83 CB PRO A 7 -11.520 6.507 -4.054 1.00 0.00 C ATOM 84 CG PRO A 7 -12.036 7.903 -3.990 1.00 0.00 C ATOM 85 CD PRO A 7 -13.458 7.795 -3.518 1.00 0.00 C ATOM 0 HA PRO A 7 -12.520 4.738 -3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.441 6.478 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.720 6.057 -5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.442 8.508 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.984 8.384 -4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.763 8.675 -2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.153 7.696 -4.352 1.00 0.00 H new ATOM 93 N PRO A 8 -10.715 4.478 -1.505 1.00 0.00 N ATOM 94 CA PRO A 8 -9.841 4.251 -0.350 1.00 0.00 C ATOM 95 C PRO A 8 -8.835 5.379 -0.155 1.00 0.00 C ATOM 96 O PRO A 8 -8.003 5.641 -1.025 1.00 0.00 O ATOM 97 CB PRO A 8 -9.122 2.950 -0.703 1.00 0.00 C ATOM 98 CG PRO A 8 -10.056 2.233 -1.615 1.00 0.00 C ATOM 99 CD PRO A 8 -10.783 3.298 -2.390 1.00 0.00 C ATOM 0 HA PRO A 8 -10.401 4.205 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.167 3.146 -1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.910 2.361 0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.512 1.567 -2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.755 1.616 -1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.307 3.490 -3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.814 3.010 -2.597 1.00 0.00 H new ATOM 107 N LEU A 9 -8.918 6.043 0.993 1.00 0.00 N ATOM 108 CA LEU A 9 -8.019 7.145 1.309 1.00 0.00 C ATOM 109 C LEU A 9 -6.878 6.669 2.203 1.00 0.00 C ATOM 110 O LEU A 9 -7.104 6.223 3.327 1.00 0.00 O ATOM 111 CB LEU A 9 -8.805 8.278 1.991 1.00 0.00 C ATOM 112 CG LEU A 9 -8.023 9.565 2.298 1.00 0.00 C ATOM 113 CD1 LEU A 9 -7.083 9.369 3.479 1.00 0.00 C ATOM 114 CD2 LEU A 9 -7.249 10.029 1.072 1.00 0.00 C ATOM 0 H LEU A 9 -9.601 5.836 1.722 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.586 7.523 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.652 8.537 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.213 7.895 2.926 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.744 10.337 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.544 10.296 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.660 9.094 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.371 8.576 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.702 10.941 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.546 9.253 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.944 10.225 0.256 1.00 0.00 H new ATOM 126 N VAL A 10 -5.654 6.774 1.703 1.00 0.00 N ATOM 127 CA VAL A 10 -4.480 6.362 2.463 1.00 0.00 C ATOM 128 C VAL A 10 -3.844 7.554 3.171 1.00 0.00 C ATOM 129 O VAL A 10 -3.753 8.644 2.607 1.00 0.00 O ATOM 130 CB VAL A 10 -3.433 5.683 1.560 1.00 0.00 C ATOM 131 CG1 VAL A 10 -2.225 5.242 2.372 1.00 0.00 C ATOM 132 CG2 VAL A 10 -4.049 4.501 0.825 1.00 0.00 C ATOM 0 H VAL A 10 -5.448 7.141 0.774 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.817 5.641 3.207 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.096 6.409 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.499 4.765 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.769 6.111 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.540 4.534 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.295 4.033 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.417 3.774 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.877 4.848 0.207 1.00 0.00 H new ATOM 142 N THR A 11 -3.407 7.340 4.409 1.00 0.00 N ATOM 143 CA THR A 11 -2.783 8.399 5.194 1.00 0.00 C ATOM 144 C THR A 11 -2.176 7.847 6.483 1.00 0.00 C ATOM 145 O THR A 11 -2.400 8.383 7.570 1.00 0.00 O ATOM 146 CB THR A 11 -3.793 9.510 5.535 1.00 0.00 C ATOM 147 OG1 THR A 11 -3.171 10.516 6.345 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.991 8.930 6.260 1.00 0.00 C ATOM 0 H THR A 11 -3.474 6.443 4.889 1.00 0.00 H new ATOM 0 HA THR A 11 -1.986 8.823 4.583 1.00 0.00 H new ATOM 0 HB THR A 11 -4.132 9.966 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.825 10.107 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.696 9.728 6.494 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.478 8.191 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.662 8.454 7.184 1.00 0.00 H new ATOM 156 N GLY A 12 -1.405 6.771 6.356 1.00 0.00 N ATOM 157 CA GLY A 12 -0.781 6.171 7.519 1.00 0.00 C ATOM 158 C GLY A 12 0.265 5.135 7.162 1.00 0.00 C ATOM 159 O GLY A 12 0.078 4.339 6.242 1.00 0.00 O ATOM 0 H GLY A 12 -1.202 6.306 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.319 6.954 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.549 5.706 8.137 1.00 0.00 H new ATOM 163 N ILE A 13 1.369 5.151 7.900 1.00 0.00 N ATOM 164 CA ILE A 13 2.464 4.213 7.678 1.00 0.00 C ATOM 165 C ILE A 13 3.416 4.207 8.869 1.00 0.00 C ATOM 166 O ILE A 13 3.817 5.263 9.360 1.00 0.00 O ATOM 167 CB ILE A 13 3.252 4.560 6.396 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.386 3.554 6.176 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.801 5.980 6.476 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.099 3.726 4.852 1.00 0.00 C ATOM 0 H ILE A 13 1.530 5.808 8.663 1.00 0.00 H new ATOM 0 HA ILE A 13 2.024 3.223 7.560 1.00 0.00 H new ATOM 0 HB ILE A 13 2.573 4.502 5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.110 3.653 6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.981 2.544 6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.354 6.208 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.976 6.684 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.467 6.065 7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.889 2.980 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.387 3.598 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.535 4.724 4.800 1.00 0.00 H new ATOM 182 N SER A 14 3.770 3.015 9.340 1.00 0.00 N ATOM 183 CA SER A 14 4.669 2.894 10.479 1.00 0.00 C ATOM 184 C SER A 14 6.085 3.356 10.117 1.00 0.00 C ATOM 185 O SER A 14 6.605 4.285 10.736 1.00 0.00 O ATOM 186 CB SER A 14 4.682 1.457 11.010 1.00 0.00 C ATOM 187 OG SER A 14 5.566 1.325 12.110 1.00 0.00 O ATOM 0 H SER A 14 3.450 2.127 8.953 1.00 0.00 H new ATOM 0 HA SER A 14 4.298 3.546 11.270 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.675 1.169 11.313 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.983 0.775 10.214 1.00 0.00 H new ATOM 0 HG SER A 14 5.554 0.399 12.430 1.00 0.00 H new ATOM 193 N PRO A 15 6.740 2.728 9.114 1.00 0.00 N ATOM 194 CA PRO A 15 8.088 3.105 8.710 1.00 0.00 C ATOM 195 C PRO A 15 8.106 4.124 7.573 1.00 0.00 C ATOM 196 O PRO A 15 7.573 3.870 6.492 1.00 0.00 O ATOM 197 CB PRO A 15 8.661 1.773 8.241 1.00 0.00 C ATOM 198 CG PRO A 15 7.496 1.050 7.645 1.00 0.00 C ATOM 199 CD PRO A 15 6.244 1.602 8.298 1.00 0.00 C ATOM 0 HA PRO A 15 8.645 3.587 9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.454 1.919 7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.093 1.213 9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.464 1.197 6.565 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.579 -0.023 7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.519 1.935 7.555 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.749 0.850 8.912 1.00 0.00 H new ATOM 207 N ASN A 16 8.735 5.270 7.815 1.00 0.00 N ATOM 208 CA ASN A 16 8.834 6.313 6.800 1.00 0.00 C ATOM 209 C ASN A 16 10.170 6.223 6.069 1.00 0.00 C ATOM 210 O ASN A 16 10.703 7.228 5.597 1.00 0.00 O ATOM 211 CB ASN A 16 8.672 7.695 7.437 1.00 0.00 C ATOM 212 CG ASN A 16 9.661 7.936 8.561 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.874 7.908 8.356 1.00 0.00 O ATOM 214 ND2 ASN A 16 9.141 8.172 9.760 1.00 0.00 N ATOM 0 H ASN A 16 9.183 5.499 8.702 1.00 0.00 H new ATOM 0 HA ASN A 16 8.032 6.166 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.802 8.461 6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.657 7.797 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.754 8.340 10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.129 8.186 9.883 1.00 0.00 H new ATOM 221 N GLU A 17 10.699 5.005 5.981 1.00 0.00 N ATOM 222 CA GLU A 17 11.973 4.753 5.310 1.00 0.00 C ATOM 223 C GLU A 17 12.324 3.269 5.375 1.00 0.00 C ATOM 224 O GLU A 17 12.239 2.650 6.436 1.00 0.00 O ATOM 225 CB GLU A 17 13.090 5.581 5.952 1.00 0.00 C ATOM 226 CG GLU A 17 13.268 5.319 7.440 1.00 0.00 C ATOM 227 CD GLU A 17 14.372 6.159 8.054 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.003 6.945 7.315 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.606 6.030 9.274 1.00 0.00 O ATOM 0 H GLU A 17 10.261 4.170 6.370 1.00 0.00 H new ATOM 0 HA GLU A 17 11.873 5.047 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.028 5.368 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.878 6.640 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.330 5.525 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.491 4.263 7.595 1.00 0.00 H new ATOM 236 N GLY A 18 12.710 2.697 4.238 1.00 0.00 N ATOM 237 CA GLY A 18 13.056 1.288 4.207 1.00 0.00 C ATOM 238 C GLY A 18 13.283 0.762 2.803 1.00 0.00 C ATOM 239 O GLY A 18 12.596 1.162 1.863 1.00 0.00 O ATOM 0 H GLY A 18 12.789 3.181 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.957 1.128 4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.259 0.714 4.679 1.00 0.00 H new ATOM 243 N ILE A 19 14.249 -0.143 2.666 1.00 0.00 N ATOM 244 CA ILE A 19 14.572 -0.739 1.374 1.00 0.00 C ATOM 245 C ILE A 19 13.358 -1.460 0.781 1.00 0.00 C ATOM 246 O ILE A 19 12.377 -1.705 1.481 1.00 0.00 O ATOM 247 CB ILE A 19 15.753 -1.725 1.494 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.411 -2.856 2.468 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.010 -0.987 1.936 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.499 -3.901 2.598 1.00 0.00 C ATOM 0 H ILE A 19 14.824 -0.480 3.438 1.00 0.00 H new ATOM 0 HA ILE A 19 14.860 0.073 0.707 1.00 0.00 H new ATOM 0 HB ILE A 19 15.941 -2.168 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.212 -2.429 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.492 -3.341 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.837 -1.693 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.258 -0.220 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.836 -0.519 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.184 -4.669 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.684 -4.357 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.414 -3.431 2.958 1.00 0.00 H new ATOM 262 N PRO A 20 13.398 -1.793 -0.526 1.00 0.00 N ATOM 263 CA PRO A 20 12.289 -2.473 -1.212 1.00 0.00 C ATOM 264 C PRO A 20 11.721 -3.660 -0.431 1.00 0.00 C ATOM 265 O PRO A 20 10.507 -3.856 -0.385 1.00 0.00 O ATOM 266 CB PRO A 20 12.938 -2.953 -2.511 1.00 0.00 C ATOM 267 CG PRO A 20 13.992 -1.943 -2.791 1.00 0.00 C ATOM 268 CD PRO A 20 14.522 -1.516 -1.449 1.00 0.00 C ATOM 0 HA PRO A 20 11.435 -1.809 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.363 -3.950 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.212 -3.006 -3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.785 -2.367 -3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.583 -1.093 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.415 -2.078 -1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.795 -0.461 -1.443 1.00 0.00 H new ATOM 276 N TRP A 21 12.595 -4.461 0.164 1.00 0.00 N ATOM 277 CA TRP A 21 12.157 -5.635 0.918 1.00 0.00 C ATOM 278 C TRP A 21 11.606 -5.269 2.297 1.00 0.00 C ATOM 279 O TRP A 21 10.920 -6.074 2.927 1.00 0.00 O ATOM 280 CB TRP A 21 13.301 -6.639 1.060 1.00 0.00 C ATOM 281 CG TRP A 21 13.788 -7.161 -0.257 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.831 -6.681 -0.996 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.230 -8.246 -1.005 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.968 -7.416 -2.150 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.995 -8.381 -2.180 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.161 -9.124 -0.793 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.723 -9.355 -3.137 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.892 -10.089 -1.746 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.671 -10.198 -2.905 1.00 0.00 C ATOM 0 H TRP A 21 13.605 -4.323 0.142 1.00 0.00 H new ATOM 0 HA TRP A 21 11.344 -6.090 0.352 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.130 -6.165 1.586 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.969 -7.475 1.676 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.457 -5.847 -0.715 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.678 -7.267 -2.867 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.557 -9.049 0.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.322 -9.442 -4.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.068 -10.770 -1.594 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.436 -10.963 -3.630 1.00 0.00 H new ATOM 300 N THR A 22 11.913 -4.063 2.768 1.00 0.00 N ATOM 301 CA THR A 22 11.446 -3.615 4.081 1.00 0.00 C ATOM 302 C THR A 22 9.925 -3.675 4.189 1.00 0.00 C ATOM 303 O THR A 22 9.209 -3.191 3.312 1.00 0.00 O ATOM 304 CB THR A 22 11.911 -2.179 4.395 1.00 0.00 C ATOM 305 OG1 THR A 22 13.341 -2.130 4.451 1.00 0.00 O ATOM 306 CG2 THR A 22 11.333 -1.692 5.716 1.00 0.00 C ATOM 0 H THR A 22 12.480 -3.380 2.265 1.00 0.00 H new ATOM 0 HA THR A 22 11.885 -4.299 4.807 1.00 0.00 H new ATOM 0 HB THR A 22 11.552 -1.526 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.622 -1.333 4.947 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.678 -0.677 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.244 -1.702 5.662 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.662 -2.349 6.521 1.00 0.00 H new ATOM 314 N LYS A 23 9.446 -4.265 5.279 1.00 0.00 N ATOM 315 CA LYS A 23 8.014 -4.385 5.525 1.00 0.00 C ATOM 316 C LYS A 23 7.424 -3.036 5.925 1.00 0.00 C ATOM 317 O LYS A 23 8.036 -2.283 6.683 1.00 0.00 O ATOM 318 CB LYS A 23 7.753 -5.416 6.626 1.00 0.00 C ATOM 319 CG LYS A 23 6.278 -5.603 6.955 1.00 0.00 C ATOM 320 CD LYS A 23 6.076 -6.597 8.089 1.00 0.00 C ATOM 321 CE LYS A 23 6.571 -7.987 7.713 1.00 0.00 C ATOM 322 NZ LYS A 23 5.841 -8.538 6.539 1.00 0.00 N ATOM 0 H LYS A 23 10.032 -4.669 6.009 1.00 0.00 H new ATOM 0 HA LYS A 23 7.533 -4.717 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.172 -6.375 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.281 -5.111 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.842 -4.643 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.748 -5.950 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.605 -6.250 8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.018 -6.645 8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.637 -7.945 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.450 -8.658 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.920 -9.575 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.839 -8.267 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.254 -8.158 5.664 1.00 0.00 H new ATOM 336 N VAL A 24 6.233 -2.736 5.417 1.00 0.00 N ATOM 337 CA VAL A 24 5.569 -1.477 5.731 1.00 0.00 C ATOM 338 C VAL A 24 4.072 -1.685 5.948 1.00 0.00 C ATOM 339 O VAL A 24 3.389 -2.286 5.118 1.00 0.00 O ATOM 340 CB VAL A 24 5.785 -0.427 4.619 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.264 -0.105 4.464 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.203 -0.908 3.299 1.00 0.00 C ATOM 0 H VAL A 24 5.710 -3.345 4.788 1.00 0.00 H new ATOM 0 HA VAL A 24 6.016 -1.105 6.653 1.00 0.00 H new ATOM 0 HB VAL A 24 5.263 0.485 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.394 0.636 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.650 0.292 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.808 -1.012 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.368 -0.152 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.691 -1.837 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.133 -1.081 3.415 1.00 0.00 H new ATOM 352 N THR A 25 3.570 -1.189 7.074 1.00 0.00 N ATOM 353 CA THR A 25 2.156 -1.323 7.404 1.00 0.00 C ATOM 354 C THR A 25 1.349 -0.154 6.849 1.00 0.00 C ATOM 355 O THR A 25 1.571 0.999 7.223 1.00 0.00 O ATOM 356 CB THR A 25 1.944 -1.407 8.927 1.00 0.00 C ATOM 357 OG1 THR A 25 2.672 -2.518 9.462 1.00 0.00 O ATOM 358 CG2 THR A 25 0.467 -1.558 9.264 1.00 0.00 C ATOM 0 H THR A 25 4.121 -0.691 7.773 1.00 0.00 H new ATOM 0 HA THR A 25 1.807 -2.248 6.945 1.00 0.00 H new ATOM 0 HB THR A 25 2.310 -0.481 9.372 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.534 -2.564 10.431 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.345 -1.615 10.346 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.083 -0.698 8.881 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.081 -2.469 8.807 1.00 0.00 H new ATOM 366 N ILE A 26 0.409 -0.458 5.961 1.00 0.00 N ATOM 367 CA ILE A 26 -0.437 0.565 5.361 1.00 0.00 C ATOM 368 C ILE A 26 -1.644 0.859 6.246 1.00 0.00 C ATOM 369 O ILE A 26 -2.248 -0.054 6.809 1.00 0.00 O ATOM 370 CB ILE A 26 -0.925 0.150 3.959 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.272 -0.101 3.035 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.840 1.221 3.377 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.117 -0.521 1.633 1.00 0.00 C ATOM 0 H ILE A 26 0.214 -1.407 5.641 1.00 0.00 H new ATOM 0 HA ILE A 26 0.172 1.464 5.266 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.494 -0.776 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.873 0.807 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.903 -0.874 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.176 0.913 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.704 1.355 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.295 2.162 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.782 -0.680 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.692 -1.446 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.722 0.261 1.174 1.00 0.00 H new ATOM 385 N ARG A 27 -1.990 2.136 6.364 1.00 0.00 N ATOM 386 CA ARG A 27 -3.126 2.550 7.180 1.00 0.00 C ATOM 387 C ARG A 27 -3.863 3.715 6.531 1.00 0.00 C ATOM 388 O ARG A 27 -3.242 4.645 6.016 1.00 0.00 O ATOM 389 CB ARG A 27 -2.661 2.947 8.581 1.00 0.00 C ATOM 390 CG ARG A 27 -1.944 1.831 9.323 1.00 0.00 C ATOM 391 CD ARG A 27 -1.639 2.225 10.757 1.00 0.00 C ATOM 392 NE ARG A 27 -0.896 1.185 11.464 1.00 0.00 N ATOM 393 CZ ARG A 27 -0.556 1.263 12.748 1.00 0.00 C ATOM 394 NH1 ARG A 27 -0.912 2.318 13.469 1.00 0.00 N ATOM 395 NH2 ARG A 27 0.133 0.282 13.312 1.00 0.00 N ATOM 0 H ARG A 27 -1.500 2.903 5.905 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.810 1.705 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.995 3.807 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.525 3.264 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.560 0.932 9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.016 1.586 8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.063 3.150 10.764 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.572 2.426 11.284 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.622 0.351 10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.448 3.072 13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.650 2.375 14.453 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.403 -0.533 12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.393 0.342 14.296 1.00 0.00 H new ATOM 409 N GLY A 28 -5.190 3.654 6.552 1.00 0.00 N ATOM 410 CA GLY A 28 -5.988 4.709 5.957 1.00 0.00 C ATOM 411 C GLY A 28 -7.471 4.546 6.229 1.00 0.00 C ATOM 412 O GLY A 28 -7.882 4.365 7.374 1.00 0.00 O ATOM 0 H GLY A 28 -5.726 2.894 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.656 5.672 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.820 4.723 4.880 1.00 0.00 H new ATOM 416 N GLU A 29 -8.272 4.613 5.170 1.00 0.00 N ATOM 417 CA GLU A 29 -9.721 4.477 5.286 1.00 0.00 C ATOM 418 C GLU A 29 -10.305 3.794 4.053 1.00 0.00 C ATOM 419 O GLU A 29 -9.936 4.111 2.922 1.00 0.00 O ATOM 420 CB GLU A 29 -10.370 5.853 5.466 1.00 0.00 C ATOM 421 CG GLU A 29 -10.016 6.538 6.777 1.00 0.00 C ATOM 422 CD GLU A 29 -10.535 5.786 7.988 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.761 5.560 8.066 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.717 5.430 8.863 1.00 0.00 O ATOM 0 H GLU A 29 -7.940 4.761 4.217 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.932 3.860 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.069 6.496 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.453 5.743 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.933 6.635 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.427 7.548 6.777 1.00 0.00 H new ATOM 431 N ASN A 30 -11.223 2.860 4.286 1.00 0.00 N ATOM 432 CA ASN A 30 -11.877 2.125 3.206 1.00 0.00 C ATOM 433 C ASN A 30 -10.877 1.316 2.381 1.00 0.00 C ATOM 434 O ASN A 30 -10.992 1.236 1.158 1.00 0.00 O ATOM 435 CB ASN A 30 -12.646 3.085 2.294 1.00 0.00 C ATOM 436 CG ASN A 30 -13.730 3.845 3.033 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.625 3.248 3.632 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.658 5.171 2.990 1.00 0.00 N ATOM 0 H ASN A 30 -11.533 2.592 5.220 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.575 1.426 3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.949 3.794 1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.095 2.522 1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.362 5.736 3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.899 5.624 2.482 1.00 0.00 H new ATOM 445 N LEU A 31 -9.907 0.703 3.055 1.00 0.00 N ATOM 446 CA LEU A 31 -8.907 -0.115 2.375 1.00 0.00 C ATOM 447 C LEU A 31 -9.441 -1.522 2.124 1.00 0.00 C ATOM 448 O LEU A 31 -8.789 -2.514 2.451 1.00 0.00 O ATOM 449 CB LEU A 31 -7.607 -0.178 3.185 1.00 0.00 C ATOM 450 CG LEU A 31 -6.681 1.031 3.028 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.368 2.306 3.490 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.387 0.814 3.799 1.00 0.00 C ATOM 0 H LEU A 31 -9.793 0.757 4.067 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.690 0.352 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.860 -0.287 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.060 -1.075 2.894 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.442 1.139 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.689 3.150 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.265 2.473 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.643 2.211 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.740 1.683 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.612 0.676 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.880 -0.072 3.417 1.00 0.00 H new ATOM 464 N GLY A 32 -10.635 -1.598 1.542 1.00 0.00 N ATOM 465 CA GLY A 32 -11.244 -2.884 1.258 1.00 0.00 C ATOM 466 C GLY A 32 -11.767 -3.567 2.507 1.00 0.00 C ATOM 467 O GLY A 32 -11.070 -3.645 3.519 1.00 0.00 O ATOM 0 H GLY A 32 -11.191 -0.790 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.064 -2.746 0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.512 -3.530 0.774 1.00 0.00 H new ATOM 471 N THR A 33 -12.999 -4.060 2.432 1.00 0.00 N ATOM 472 CA THR A 33 -13.623 -4.741 3.562 1.00 0.00 C ATOM 473 C THR A 33 -12.818 -5.967 3.974 1.00 0.00 C ATOM 474 O THR A 33 -12.745 -6.303 5.157 1.00 0.00 O ATOM 475 CB THR A 33 -15.066 -5.167 3.238 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.069 -6.119 2.168 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.912 -3.962 2.853 1.00 0.00 C ATOM 0 H THR A 33 -13.586 -4.001 1.600 1.00 0.00 H new ATOM 0 HA THR A 33 -13.644 -4.030 4.388 1.00 0.00 H new ATOM 0 HB THR A 33 -15.495 -5.623 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.991 -6.385 1.970 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.928 -4.287 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.933 -3.253 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.482 -3.482 1.974 1.00 0.00 H new ATOM 485 N GLY A 34 -12.213 -6.633 2.994 1.00 0.00 N ATOM 486 CA GLY A 34 -11.420 -7.812 3.284 1.00 0.00 C ATOM 487 C GLY A 34 -10.421 -8.135 2.186 1.00 0.00 C ATOM 488 O GLY A 34 -10.095 -7.272 1.370 1.00 0.00 O ATOM 0 H GLY A 34 -12.258 -6.377 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.886 -7.663 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.084 -8.665 3.427 1.00 0.00 H new ATOM 492 N PRO A 35 -9.909 -9.378 2.146 1.00 0.00 N ATOM 493 CA PRO A 35 -8.932 -9.799 1.136 1.00 0.00 C ATOM 494 C PRO A 35 -9.543 -9.929 -0.256 1.00 0.00 C ATOM 495 O PRO A 35 -8.949 -9.499 -1.245 1.00 0.00 O ATOM 496 CB PRO A 35 -8.454 -11.160 1.642 1.00 0.00 C ATOM 497 CG PRO A 35 -9.567 -11.673 2.489 1.00 0.00 C ATOM 498 CD PRO A 35 -10.237 -10.466 3.088 1.00 0.00 C ATOM 0 HA PRO A 35 -8.132 -9.068 1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.245 -11.837 0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.533 -11.065 2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.272 -12.253 1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.189 -12.334 3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.314 -10.608 3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.861 -10.255 4.089 1.00 0.00 H new ATOM 506 N THR A 36 -10.729 -10.529 -0.328 1.00 0.00 N ATOM 507 CA THR A 36 -11.415 -10.719 -1.601 1.00 0.00 C ATOM 508 C THR A 36 -11.636 -9.389 -2.315 1.00 0.00 C ATOM 509 O THR A 36 -11.474 -9.292 -3.531 1.00 0.00 O ATOM 510 CB THR A 36 -12.774 -11.418 -1.410 1.00 0.00 C ATOM 511 OG1 THR A 36 -13.605 -10.647 -0.535 1.00 0.00 O ATOM 512 CG2 THR A 36 -12.589 -12.817 -0.840 1.00 0.00 C ATOM 0 H THR A 36 -11.234 -10.891 0.481 1.00 0.00 H new ATOM 0 HA THR A 36 -10.772 -11.352 -2.212 1.00 0.00 H new ATOM 0 HB THR A 36 -13.254 -11.501 -2.385 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.467 -11.098 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.563 -13.290 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.982 -13.411 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.089 -12.753 0.126 1.00 0.00 H new ATOM 520 N ASP A 37 -12.006 -8.366 -1.551 1.00 0.00 N ATOM 521 CA ASP A 37 -12.246 -7.041 -2.109 1.00 0.00 C ATOM 522 C ASP A 37 -10.969 -6.463 -2.712 1.00 0.00 C ATOM 523 O ASP A 37 -11.009 -5.779 -3.735 1.00 0.00 O ATOM 524 CB ASP A 37 -12.790 -6.101 -1.032 1.00 0.00 C ATOM 525 CG ASP A 37 -14.115 -6.577 -0.468 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.155 -7.693 0.092 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.112 -5.834 -0.587 1.00 0.00 O ATOM 0 H ASP A 37 -12.146 -8.430 -0.543 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.987 -7.138 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.063 -6.018 -0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.914 -5.103 -1.453 1.00 0.00 H new ATOM 532 N LEU A 38 -9.841 -6.740 -2.064 1.00 0.00 N ATOM 533 CA LEU A 38 -8.544 -6.251 -2.525 1.00 0.00 C ATOM 534 C LEU A 38 -8.051 -7.049 -3.733 1.00 0.00 C ATOM 535 O LEU A 38 -7.011 -7.706 -3.676 1.00 0.00 O ATOM 536 CB LEU A 38 -7.520 -6.320 -1.385 1.00 0.00 C ATOM 537 CG LEU A 38 -6.128 -5.774 -1.718 1.00 0.00 C ATOM 538 CD1 LEU A 38 -6.211 -4.314 -2.139 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.197 -5.933 -0.526 1.00 0.00 C ATOM 0 H LEU A 38 -9.799 -7.303 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.662 -5.213 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.914 -5.768 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.419 -7.359 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.724 -6.348 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.212 -3.945 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.845 -4.225 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.636 -3.725 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.212 -5.540 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.599 -5.384 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.112 -6.989 -0.269 1.00 0.00 H new ATOM 551 N ILE A 39 -8.804 -6.990 -4.827 1.00 0.00 N ATOM 552 CA ILE A 39 -8.439 -7.702 -6.046 1.00 0.00 C ATOM 553 C ILE A 39 -7.202 -7.088 -6.691 1.00 0.00 C ATOM 554 O ILE A 39 -6.368 -7.796 -7.256 1.00 0.00 O ATOM 555 CB ILE A 39 -9.593 -7.708 -7.067 1.00 0.00 C ATOM 556 CG1 ILE A 39 -10.046 -6.277 -7.376 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.752 -8.543 -6.543 1.00 0.00 C ATOM 558 CD1 ILE A 39 -11.116 -6.192 -8.444 1.00 0.00 C ATOM 0 H ILE A 39 -9.671 -6.456 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.222 -8.730 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.238 -8.156 -7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.422 -5.819 -6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.182 -5.693 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.562 -8.540 -7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.417 -9.567 -6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.109 -8.121 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.385 -5.148 -8.607 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.738 -6.619 -9.373 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.997 -6.747 -8.122 1.00 0.00 H new ATOM 570 N GLY A 40 -7.094 -5.766 -6.607 1.00 0.00 N ATOM 571 CA GLY A 40 -5.959 -5.076 -7.190 1.00 0.00 C ATOM 572 C GLY A 40 -5.249 -4.173 -6.200 1.00 0.00 C ATOM 573 O GLY A 40 -5.888 -3.496 -5.395 1.00 0.00 O ATOM 0 H GLY A 40 -7.773 -5.160 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.252 -5.810 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.298 -4.482 -8.039 1.00 0.00 H new ATOM 577 N LEU A 41 -3.921 -4.163 -6.260 1.00 0.00 N ATOM 578 CA LEU A 41 -3.120 -3.336 -5.365 1.00 0.00 C ATOM 579 C LEU A 41 -1.817 -2.917 -6.040 1.00 0.00 C ATOM 580 O LEU A 41 -1.306 -3.621 -6.910 1.00 0.00 O ATOM 581 CB LEU A 41 -2.820 -4.082 -4.064 1.00 0.00 C ATOM 582 CG LEU A 41 -2.036 -3.278 -3.024 1.00 0.00 C ATOM 583 CD1 LEU A 41 -2.827 -2.057 -2.581 1.00 0.00 C ATOM 584 CD2 LEU A 41 -1.690 -4.150 -1.828 1.00 0.00 C ATOM 0 H LEU A 41 -3.377 -4.719 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.695 -2.440 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.763 -4.401 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.258 -4.985 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.108 -2.937 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.252 -1.499 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.025 -1.420 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.772 -2.376 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.133 -3.562 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.607 -4.521 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.082 -4.993 -2.156 1.00 0.00 H new ATOM 596 N THR A 42 -1.290 -1.767 -5.637 1.00 0.00 N ATOM 597 CA THR A 42 -0.049 -1.254 -6.208 1.00 0.00 C ATOM 598 C THR A 42 0.738 -0.424 -5.206 1.00 0.00 C ATOM 599 O THR A 42 0.172 0.343 -4.426 1.00 0.00 O ATOM 600 CB THR A 42 -0.313 -0.396 -7.458 1.00 0.00 C ATOM 601 OG1 THR A 42 -1.471 0.423 -7.260 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.493 -1.267 -8.691 1.00 0.00 C ATOM 0 H THR A 42 -1.702 -1.172 -4.918 1.00 0.00 H new ATOM 0 HA THR A 42 0.538 -2.129 -6.485 1.00 0.00 H new ATOM 0 HB THR A 42 0.554 0.245 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.629 0.966 -8.061 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.678 -0.635 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.410 -1.855 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.340 -1.937 -8.543 1.00 0.00 H new ATOM 610 N ILE A 43 2.055 -0.580 -5.250 1.00 0.00 N ATOM 611 CA ILE A 43 2.955 0.151 -4.373 1.00 0.00 C ATOM 612 C ILE A 43 4.159 0.622 -5.171 1.00 0.00 C ATOM 613 O ILE A 43 4.759 -0.159 -5.905 1.00 0.00 O ATOM 614 CB ILE A 43 3.430 -0.716 -3.189 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.245 -1.074 -2.286 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.514 0.009 -2.400 1.00 0.00 C ATOM 617 CD1 ILE A 43 2.619 -1.954 -1.112 1.00 0.00 C ATOM 0 H ILE A 43 2.527 -1.216 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 43 2.411 1.003 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 43 3.856 -1.641 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.795 -0.155 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.486 -1.581 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.838 -0.616 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.363 0.214 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.117 0.948 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.730 -2.166 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.042 -2.889 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.355 -1.441 -0.493 1.00 0.00 H new ATOM 629 N CYS A 44 4.494 1.898 -5.045 1.00 0.00 N ATOM 630 CA CYS A 44 5.616 2.462 -5.780 1.00 0.00 C ATOM 631 C CYS A 44 5.471 2.162 -7.271 1.00 0.00 C ATOM 632 O CYS A 44 6.462 2.032 -7.990 1.00 0.00 O ATOM 633 CB CYS A 44 6.941 1.902 -5.256 1.00 0.00 C ATOM 634 SG CYS A 44 7.238 2.231 -3.503 1.00 0.00 S ATOM 0 H CYS A 44 4.006 2.561 -4.442 1.00 0.00 H new ATOM 0 HA CYS A 44 5.617 3.542 -5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.959 0.825 -5.421 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.759 2.327 -5.838 1.00 0.00 H new ATOM 0 HG CYS A 44 8.380 1.718 -3.153 1.00 0.00 H new ATOM 640 N GLY A 45 4.222 2.066 -7.724 1.00 0.00 N ATOM 641 CA GLY A 45 3.953 1.796 -9.125 1.00 0.00 C ATOM 642 C GLY A 45 3.870 0.314 -9.465 1.00 0.00 C ATOM 643 O GLY A 45 3.048 -0.083 -10.290 1.00 0.00 O ATOM 0 H GLY A 45 3.390 2.171 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.014 2.275 -9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.736 2.254 -9.730 1.00 0.00 H new ATOM 647 N HIS A 46 4.726 -0.504 -8.857 1.00 0.00 N ATOM 648 CA HIS A 46 4.742 -1.926 -9.133 1.00 0.00 C ATOM 649 C HIS A 46 3.744 -2.684 -8.260 1.00 0.00 C ATOM 650 O HIS A 46 3.580 -2.386 -7.078 1.00 0.00 O ATOM 651 CB HIS A 46 6.152 -2.474 -8.934 1.00 0.00 C ATOM 652 CG HIS A 46 6.626 -2.481 -7.514 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.853 -1.332 -6.786 1.00 0.00 N ATOM 654 CD2 HIS A 46 6.922 -3.513 -6.689 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.270 -1.658 -5.575 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.318 -2.973 -5.491 1.00 0.00 N ATOM 0 H HIS A 46 5.416 -0.199 -8.170 1.00 0.00 H new ATOM 0 HA HIS A 46 4.440 -2.073 -10.170 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.189 -3.493 -9.320 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.845 -1.881 -9.531 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.720 -0.380 -7.128 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.858 -4.564 -6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.528 -0.965 -4.788 1.00 0.00 H new ATOM 665 N ASN A 47 3.079 -3.669 -8.860 1.00 0.00 N ATOM 666 CA ASN A 47 2.094 -4.484 -8.155 1.00 0.00 C ATOM 667 C ASN A 47 2.726 -5.232 -6.985 1.00 0.00 C ATOM 668 O ASN A 47 3.881 -5.654 -7.056 1.00 0.00 O ATOM 669 CB ASN A 47 1.451 -5.483 -9.120 1.00 0.00 C ATOM 670 CG ASN A 47 0.452 -6.394 -8.432 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.718 -7.694 -8.464 1.00 0.00 O flip ATOM 672 ND2 ASN A 47 -0.544 -5.934 -7.876 1.00 0.00 N flip ATOM 0 H ASN A 47 3.206 -3.923 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 47 1.329 -3.816 -7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.950 -4.939 -9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.230 -6.088 -9.584 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.709 -4.927 -7.876 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.205 -6.559 -7.415 1.00 0.00 H new ATOM 679 N CYS A 48 1.958 -5.394 -5.910 1.00 0.00 N ATOM 680 CA CYS A 48 2.435 -6.096 -4.721 1.00 0.00 C ATOM 681 C CYS A 48 1.278 -6.784 -4.004 1.00 0.00 C ATOM 682 O CYS A 48 1.226 -6.814 -2.775 1.00 0.00 O ATOM 683 CB CYS A 48 3.124 -5.120 -3.763 1.00 0.00 C ATOM 684 SG CYS A 48 4.562 -4.278 -4.463 1.00 0.00 S ATOM 0 H CYS A 48 1.001 -5.048 -5.838 1.00 0.00 H new ATOM 0 HA CYS A 48 3.154 -6.851 -5.040 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.399 -4.371 -3.443 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.435 -5.664 -2.871 1.00 0.00 H new ATOM 0 HG CYS A 48 4.793 -4.734 -5.658 1.00 0.00 H new ATOM 690 N LEU A 49 0.348 -7.331 -4.780 1.00 0.00 N ATOM 691 CA LEU A 49 -0.814 -8.012 -4.223 1.00 0.00 C ATOM 692 C LEU A 49 -0.433 -9.350 -3.591 1.00 0.00 C ATOM 693 O LEU A 49 -0.857 -9.662 -2.478 1.00 0.00 O ATOM 694 CB LEU A 49 -1.869 -8.232 -5.311 1.00 0.00 C ATOM 695 CG LEU A 49 -3.114 -9.000 -4.862 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.880 -8.211 -3.810 1.00 0.00 C ATOM 697 CD2 LEU A 49 -4.005 -9.313 -6.053 1.00 0.00 C ATOM 0 H LEU A 49 0.377 -7.315 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.226 -7.376 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.179 -7.261 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.408 -8.770 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.795 -9.942 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.762 -8.774 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.239 -8.041 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.188 -7.252 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.886 -9.859 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.316 -8.383 -6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.454 -9.921 -6.770 1.00 0.00 H new ATOM 709 N LEU A 50 0.358 -10.141 -4.312 1.00 0.00 N ATOM 710 CA LEU A 50 0.780 -11.450 -3.820 1.00 0.00 C ATOM 711 C LEU A 50 1.530 -11.335 -2.493 1.00 0.00 C ATOM 712 O LEU A 50 1.403 -12.201 -1.627 1.00 0.00 O ATOM 713 CB LEU A 50 1.620 -12.178 -4.879 1.00 0.00 C ATOM 714 CG LEU A 50 2.759 -11.367 -5.505 1.00 0.00 C ATOM 715 CD1 LEU A 50 3.959 -11.309 -4.576 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.153 -11.958 -6.850 1.00 0.00 C ATOM 0 H LEU A 50 0.718 -9.900 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.114 -12.044 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.045 -13.073 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.955 -12.510 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 50 2.405 -10.348 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.754 -10.728 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.670 -10.838 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.316 -12.320 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.963 -11.371 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.484 -12.987 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.294 -11.940 -7.521 1.00 0.00 H new ATOM 728 N THR A 51 2.298 -10.261 -2.329 1.00 0.00 N ATOM 729 CA THR A 51 3.046 -10.042 -1.092 1.00 0.00 C ATOM 730 C THR A 51 2.144 -9.462 -0.006 1.00 0.00 C ATOM 731 O THR A 51 2.267 -9.806 1.169 1.00 0.00 O ATOM 732 CB THR A 51 4.240 -9.088 -1.301 1.00 0.00 C ATOM 733 OG1 THR A 51 3.814 -7.913 -1.999 1.00 0.00 O ATOM 734 CG2 THR A 51 5.364 -9.768 -2.068 1.00 0.00 C ATOM 0 H THR A 51 2.419 -9.532 -3.032 1.00 0.00 H new ATOM 0 HA THR A 51 3.423 -11.017 -0.782 1.00 0.00 H new ATOM 0 HB THR A 51 4.621 -8.807 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.598 -7.389 -2.266 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.190 -9.069 -2.199 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.710 -10.639 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.998 -10.084 -3.045 1.00 0.00 H new ATOM 742 N ALA A 52 1.245 -8.570 -0.413 1.00 0.00 N ATOM 743 CA ALA A 52 0.325 -7.921 0.515 1.00 0.00 C ATOM 744 C ALA A 52 -0.703 -8.895 1.082 1.00 0.00 C ATOM 745 O ALA A 52 -1.295 -9.690 0.351 1.00 0.00 O ATOM 746 CB ALA A 52 -0.383 -6.765 -0.173 1.00 0.00 C ATOM 0 H ALA A 52 1.134 -8.279 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 52 0.917 -7.545 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.067 -6.288 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.354 -6.037 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.944 -7.140 -1.029 1.00 0.00 H new ATOM 752 N GLU A 53 -0.921 -8.807 2.391 1.00 0.00 N ATOM 753 CA GLU A 53 -1.890 -9.654 3.075 1.00 0.00 C ATOM 754 C GLU A 53 -2.863 -8.793 3.876 1.00 0.00 C ATOM 755 O GLU A 53 -2.446 -7.934 4.652 1.00 0.00 O ATOM 756 CB GLU A 53 -1.176 -10.642 4.001 1.00 0.00 C ATOM 757 CG GLU A 53 -2.112 -11.615 4.706 1.00 0.00 C ATOM 758 CD GLU A 53 -2.844 -12.530 3.743 1.00 0.00 C ATOM 759 OE1 GLU A 53 -3.621 -12.021 2.907 1.00 0.00 O ATOM 760 OE2 GLU A 53 -2.639 -13.760 3.824 1.00 0.00 O ATOM 0 H GLU A 53 -0.434 -8.151 3.003 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.448 -10.219 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.449 -11.209 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.617 -10.083 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.538 -12.219 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.840 -11.052 5.290 1.00 0.00 H new ATOM 767 N TRP A 54 -4.158 -9.022 3.681 1.00 0.00 N ATOM 768 CA TRP A 54 -5.181 -8.255 4.386 1.00 0.00 C ATOM 769 C TRP A 54 -5.072 -8.459 5.894 1.00 0.00 C ATOM 770 O TRP A 54 -4.645 -9.517 6.356 1.00 0.00 O ATOM 771 CB TRP A 54 -6.580 -8.652 3.915 1.00 0.00 C ATOM 772 CG TRP A 54 -7.651 -7.757 4.458 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.068 -6.568 3.936 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.413 -7.963 5.652 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.059 -6.031 4.721 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.287 -6.867 5.782 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.448 -8.972 6.618 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.183 -6.751 6.842 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.336 -8.854 7.670 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.193 -7.751 7.775 1.00 0.00 C ATOM 0 H TRP A 54 -4.524 -9.729 3.043 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.017 -7.201 4.160 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.612 -8.629 2.826 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.783 -9.679 4.218 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.676 -6.115 3.037 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.546 -5.153 4.543 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.793 -9.828 6.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -10.846 -5.902 6.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.370 -9.626 8.425 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.876 -7.689 8.610 1.00 0.00 H new ATOM 791 N MET A 55 -5.462 -7.440 6.657 1.00 0.00 N ATOM 792 CA MET A 55 -5.407 -7.512 8.114 1.00 0.00 C ATOM 793 C MET A 55 -6.596 -6.798 8.748 1.00 0.00 C ATOM 794 O MET A 55 -7.207 -7.306 9.688 1.00 0.00 O ATOM 795 CB MET A 55 -4.109 -6.889 8.629 1.00 0.00 C ATOM 796 CG MET A 55 -2.852 -7.594 8.148 1.00 0.00 C ATOM 797 SD MET A 55 -2.729 -9.287 8.755 1.00 0.00 S ATOM 798 CE MET A 55 -2.701 -9.011 10.526 1.00 0.00 C ATOM 0 H MET A 55 -5.819 -6.557 6.291 1.00 0.00 H new ATOM 0 HA MET A 55 -5.443 -8.565 8.393 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.070 -5.845 8.317 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.122 -6.895 9.719 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.839 -7.601 7.058 1.00 0.00 H new ATOM 0 HG3 MET A 55 -1.977 -7.031 8.474 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.024 -9.725 10.995 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.358 -7.997 10.731 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.704 -9.143 10.931 1.00 0.00 H new ATOM 808 N SER A 56 -6.915 -5.614 8.233 1.00 0.00 N ATOM 809 CA SER A 56 -8.025 -4.825 8.757 1.00 0.00 C ATOM 810 C SER A 56 -8.476 -3.776 7.746 1.00 0.00 C ATOM 811 O SER A 56 -7.740 -3.429 6.824 1.00 0.00 O ATOM 812 CB SER A 56 -7.625 -4.141 10.067 1.00 0.00 C ATOM 813 OG SER A 56 -7.298 -5.092 11.064 1.00 0.00 O ATOM 0 H SER A 56 -6.421 -5.180 7.453 1.00 0.00 H new ATOM 0 HA SER A 56 -8.856 -5.504 8.947 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.772 -3.486 9.892 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.444 -3.512 10.416 1.00 0.00 H new ATOM 0 HG SER A 56 -7.600 -5.980 10.781 1.00 0.00 H new ATOM 819 N ALA A 57 -9.697 -3.280 7.931 1.00 0.00 N ATOM 820 CA ALA A 57 -10.265 -2.272 7.044 1.00 0.00 C ATOM 821 C ALA A 57 -9.333 -1.074 6.887 1.00 0.00 C ATOM 822 O ALA A 57 -9.322 -0.421 5.844 1.00 0.00 O ATOM 823 CB ALA A 57 -11.622 -1.820 7.564 1.00 0.00 C ATOM 0 H ALA A 57 -10.314 -3.563 8.692 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.391 -2.725 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.036 -1.067 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.297 -2.675 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.506 -1.394 8.561 1.00 0.00 H new ATOM 829 N SER A 58 -8.556 -0.788 7.928 1.00 0.00 N ATOM 830 CA SER A 58 -7.628 0.336 7.897 1.00 0.00 C ATOM 831 C SER A 58 -6.210 -0.108 8.245 1.00 0.00 C ATOM 832 O SER A 58 -5.465 0.621 8.903 1.00 0.00 O ATOM 833 CB SER A 58 -8.087 1.426 8.868 1.00 0.00 C ATOM 834 OG SER A 58 -9.368 1.918 8.515 1.00 0.00 O ATOM 0 H SER A 58 -8.551 -1.317 8.800 1.00 0.00 H new ATOM 0 HA SER A 58 -7.620 0.737 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.114 1.026 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.367 2.244 8.867 1.00 0.00 H new ATOM 0 HG SER A 58 -9.273 2.782 8.062 1.00 0.00 H new ATOM 840 N LYS A 59 -5.840 -1.302 7.792 1.00 0.00 N ATOM 841 CA LYS A 59 -4.506 -1.837 8.048 1.00 0.00 C ATOM 842 C LYS A 59 -4.208 -3.023 7.134 1.00 0.00 C ATOM 843 O LYS A 59 -5.025 -3.932 6.999 1.00 0.00 O ATOM 844 CB LYS A 59 -4.372 -2.266 9.512 1.00 0.00 C ATOM 845 CG LYS A 59 -2.996 -2.809 9.859 1.00 0.00 C ATOM 846 CD LYS A 59 -2.909 -3.227 11.318 1.00 0.00 C ATOM 847 CE LYS A 59 -1.540 -3.793 11.653 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.200 -4.965 10.799 1.00 0.00 N ATOM 0 H LYS A 59 -6.444 -1.917 7.247 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.784 -1.047 7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.590 -1.413 10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.120 -3.028 9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.770 -3.664 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.242 -2.049 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.115 -2.368 11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.675 -3.973 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.785 -3.018 11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.516 -4.089 12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.405 -5.484 11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.025 -5.594 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.932 -4.636 9.849 1.00 0.00 H new ATOM 862 N ILE A 60 -3.028 -3.009 6.519 1.00 0.00 N ATOM 863 CA ILE A 60 -2.614 -4.086 5.624 1.00 0.00 C ATOM 864 C ILE A 60 -1.098 -4.249 5.629 1.00 0.00 C ATOM 865 O ILE A 60 -0.361 -3.310 5.327 1.00 0.00 O ATOM 866 CB ILE A 60 -3.075 -3.834 4.169 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.603 -3.824 4.079 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.491 -4.890 3.237 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.130 -3.517 2.692 1.00 0.00 C ATOM 0 H ILE A 60 -2.341 -2.263 6.624 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.087 -4.995 5.996 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.709 -2.856 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.983 -4.795 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.994 -3.085 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.824 -4.699 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.403 -4.849 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.828 -5.878 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.220 -3.527 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.781 -2.533 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.769 -4.270 1.991 1.00 0.00 H new ATOM 881 N VAL A 61 -0.640 -5.451 5.959 1.00 0.00 N ATOM 882 CA VAL A 61 0.787 -5.746 5.985 1.00 0.00 C ATOM 883 C VAL A 61 1.281 -6.084 4.584 1.00 0.00 C ATOM 884 O VAL A 61 0.691 -6.919 3.900 1.00 0.00 O ATOM 885 CB VAL A 61 1.101 -6.920 6.931 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.592 -7.220 6.942 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.600 -6.620 8.337 1.00 0.00 C ATOM 0 H VAL A 61 -1.237 -6.238 6.213 1.00 0.00 H new ATOM 0 HA VAL A 61 1.300 -4.857 6.352 1.00 0.00 H new ATOM 0 HB VAL A 61 0.582 -7.805 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.791 -8.053 7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.918 -7.483 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.138 -6.340 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.830 -7.460 8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.089 -5.722 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.478 -6.463 8.313 1.00 0.00 H new ATOM 897 N CYS A 62 2.358 -5.432 4.156 1.00 0.00 N ATOM 898 CA CYS A 62 2.906 -5.675 2.826 1.00 0.00 C ATOM 899 C CYS A 62 4.259 -4.997 2.645 1.00 0.00 C ATOM 900 O CYS A 62 4.445 -3.843 3.033 1.00 0.00 O ATOM 901 CB CYS A 62 1.933 -5.174 1.759 1.00 0.00 C ATOM 902 SG CYS A 62 1.586 -3.403 1.853 1.00 0.00 S ATOM 0 H CYS A 62 2.865 -4.738 4.705 1.00 0.00 H new ATOM 0 HA CYS A 62 3.049 -6.750 2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.341 -5.402 0.774 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.996 -5.723 1.850 1.00 0.00 H new ATOM 0 HG CYS A 62 2.594 -2.792 2.401 1.00 0.00 H new ATOM 908 N ARG A 63 5.197 -5.719 2.043 1.00 0.00 N ATOM 909 CA ARG A 63 6.533 -5.191 1.792 1.00 0.00 C ATOM 910 C ARG A 63 6.561 -4.401 0.488 1.00 0.00 C ATOM 911 O ARG A 63 5.972 -4.819 -0.511 1.00 0.00 O ATOM 912 CB ARG A 63 7.551 -6.331 1.730 1.00 0.00 C ATOM 913 CG ARG A 63 7.615 -7.163 3.001 1.00 0.00 C ATOM 914 CD ARG A 63 8.605 -8.310 2.864 1.00 0.00 C ATOM 915 NE ARG A 63 8.673 -9.129 4.072 1.00 0.00 N ATOM 916 CZ ARG A 63 7.653 -9.842 4.544 1.00 0.00 C ATOM 917 NH1 ARG A 63 6.490 -9.846 3.905 1.00 0.00 N ATOM 918 NH2 ARG A 63 7.798 -10.554 5.652 1.00 0.00 N ATOM 0 H ARG A 63 5.056 -6.676 1.718 1.00 0.00 H new ATOM 0 HA ARG A 63 6.796 -4.523 2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.303 -6.982 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.538 -5.914 1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.904 -6.529 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.625 -7.560 3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.318 -8.936 2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.594 -7.909 2.643 1.00 0.00 H new ATOM 0 HE ARG A 63 9.555 -9.156 4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.376 -9.302 3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.710 -10.393 4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.692 -10.556 6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.016 -11.100 6.013 1.00 0.00 H new ATOM 932 N VAL A 64 7.246 -3.260 0.496 1.00 0.00 N ATOM 933 CA VAL A 64 7.347 -2.422 -0.696 1.00 0.00 C ATOM 934 C VAL A 64 8.151 -3.133 -1.791 1.00 0.00 C ATOM 935 O VAL A 64 8.056 -4.350 -1.944 1.00 0.00 O ATOM 936 CB VAL A 64 7.982 -1.053 -0.363 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.107 -0.283 0.607 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.381 -1.227 0.210 1.00 0.00 C ATOM 0 H VAL A 64 7.738 -2.895 1.312 1.00 0.00 H new ATOM 0 HA VAL A 64 6.337 -2.245 -1.066 1.00 0.00 H new ATOM 0 HB VAL A 64 8.061 -0.484 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.570 0.678 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.126 -0.119 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.995 -0.854 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.806 -0.249 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.329 -1.820 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.012 -1.737 -0.518 1.00 0.00 H new ATOM 948 N GLY A 65 8.945 -2.381 -2.552 1.00 0.00 N ATOM 949 CA GLY A 65 9.739 -2.984 -3.604 1.00 0.00 C ATOM 950 C GLY A 65 10.496 -1.956 -4.421 1.00 0.00 C ATOM 951 O GLY A 65 10.992 -0.970 -3.882 1.00 0.00 O ATOM 0 H GLY A 65 9.050 -1.371 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.447 -3.686 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.088 -3.559 -4.262 1.00 0.00 H new ATOM 955 N GLN A 66 10.582 -2.191 -5.725 1.00 0.00 N ATOM 956 CA GLN A 66 11.283 -1.285 -6.628 1.00 0.00 C ATOM 957 C GLN A 66 10.580 0.067 -6.716 1.00 0.00 C ATOM 958 O GLN A 66 9.355 0.137 -6.814 1.00 0.00 O ATOM 959 CB GLN A 66 11.383 -1.913 -8.015 1.00 0.00 C ATOM 960 CG GLN A 66 10.045 -2.384 -8.556 1.00 0.00 C ATOM 961 CD GLN A 66 10.145 -3.009 -9.938 1.00 0.00 C ATOM 962 OE1 GLN A 66 11.354 -3.064 -10.489 1.00 0.00 O flip ATOM 963 NE2 GLN A 66 9.141 -3.440 -10.507 1.00 0.00 N flip ATOM 0 H GLN A 66 10.173 -3.006 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 66 12.284 -1.117 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.812 -1.187 -8.706 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.070 -2.759 -7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.617 -3.111 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.358 -1.538 -8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.231 -3.379 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.220 -3.857 -11.434 1.00 0.00 H new ATOM 972 N ALA A 67 11.369 1.138 -6.685 1.00 0.00 N ATOM 973 CA ALA A 67 10.833 2.494 -6.764 1.00 0.00 C ATOM 974 C ALA A 67 10.486 2.873 -8.203 1.00 0.00 C ATOM 975 O ALA A 67 10.974 3.877 -8.722 1.00 0.00 O ATOM 976 CB ALA A 67 11.826 3.489 -6.185 1.00 0.00 C ATOM 0 H ALA A 67 12.385 1.092 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 67 9.915 2.524 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.413 4.496 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.020 3.244 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.758 3.442 -6.748 1.00 0.00 H new ATOM 982 N LYS A 68 9.647 2.064 -8.841 1.00 0.00 N ATOM 983 CA LYS A 68 9.239 2.316 -10.219 1.00 0.00 C ATOM 984 C LYS A 68 8.713 3.741 -10.379 1.00 0.00 C ATOM 985 O LYS A 68 9.019 4.417 -11.361 1.00 0.00 O ATOM 986 CB LYS A 68 8.168 1.311 -10.647 1.00 0.00 C ATOM 987 CG LYS A 68 7.733 1.459 -12.099 1.00 0.00 C ATOM 988 CD LYS A 68 8.892 1.244 -13.063 1.00 0.00 C ATOM 989 CE LYS A 68 9.466 -0.161 -12.952 1.00 0.00 C ATOM 990 NZ LYS A 68 10.574 -0.387 -13.920 1.00 0.00 N ATOM 0 H LYS A 68 9.236 1.228 -8.426 1.00 0.00 H new ATOM 0 HA LYS A 68 10.113 2.198 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.548 0.301 -10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.296 1.426 -10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.942 0.741 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.312 2.453 -12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.553 1.418 -14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.675 1.974 -12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.831 -0.325 -11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.676 -0.891 -13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.937 -1.356 -13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.220 -0.256 -14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.340 0.292 -13.736 1.00 0.00 H new ATOM 1004 N ASN A 69 7.922 4.187 -9.409 1.00 0.00 N ATOM 1005 CA ASN A 69 7.355 5.531 -9.440 1.00 0.00 C ATOM 1006 C ASN A 69 8.449 6.575 -9.195 1.00 0.00 C ATOM 1007 O ASN A 69 9.477 6.571 -9.873 1.00 0.00 O ATOM 1008 CB ASN A 69 6.239 5.656 -8.397 1.00 0.00 C ATOM 1009 CG ASN A 69 5.324 6.839 -8.658 1.00 0.00 C ATOM 1010 OD1 ASN A 69 5.764 7.988 -8.696 1.00 0.00 O ATOM 1011 ND2 ASN A 69 4.039 6.561 -8.841 1.00 0.00 N ATOM 0 H ASN A 69 7.659 3.637 -8.591 1.00 0.00 H new ATOM 0 HA ASN A 69 6.926 5.712 -10.426 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.649 4.740 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.682 5.756 -7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.375 7.314 -9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.716 5.594 -8.801 1.00 0.00 H new ATOM 1018 N ASP A 70 8.231 7.466 -8.228 1.00 0.00 N ATOM 1019 CA ASP A 70 9.206 8.504 -7.907 1.00 0.00 C ATOM 1020 C ASP A 70 9.145 8.860 -6.423 1.00 0.00 C ATOM 1021 O ASP A 70 10.157 8.821 -5.723 1.00 0.00 O ATOM 1022 CB ASP A 70 8.954 9.764 -8.744 1.00 0.00 C ATOM 1023 CG ASP A 70 9.049 9.514 -10.238 1.00 0.00 C ATOM 1024 OD1 ASP A 70 8.187 8.790 -10.779 1.00 0.00 O ATOM 1025 OD2 ASP A 70 9.988 10.045 -10.869 1.00 0.00 O ATOM 0 H ASP A 70 7.388 7.489 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 70 10.196 8.114 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.965 10.157 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.676 10.530 -8.463 1.00 0.00 H new ATOM 1030 N LYS A 71 7.949 9.202 -5.951 1.00 0.00 N ATOM 1031 CA LYS A 71 7.749 9.563 -4.552 1.00 0.00 C ATOM 1032 C LYS A 71 7.367 8.343 -3.719 1.00 0.00 C ATOM 1033 O LYS A 71 7.920 8.115 -2.643 1.00 0.00 O ATOM 1034 CB LYS A 71 6.664 10.635 -4.428 1.00 0.00 C ATOM 1035 CG LYS A 71 6.999 11.928 -5.152 1.00 0.00 C ATOM 1036 CD LYS A 71 5.878 12.946 -5.022 1.00 0.00 C ATOM 1037 CE LYS A 71 6.223 14.250 -5.724 1.00 0.00 C ATOM 1038 NZ LYS A 71 7.443 14.885 -5.152 1.00 0.00 N ATOM 0 H LYS A 71 7.102 9.236 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 71 8.690 9.960 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.728 10.240 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.499 10.852 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.920 12.346 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.182 11.719 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.962 12.535 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.682 13.140 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.377 14.060 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.383 14.939 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.511 15.868 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.386 14.874 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.285 14.357 -5.458 1.00 0.00 H new ATOM 1052 N GLY A 72 6.412 7.567 -4.222 1.00 0.00 N ATOM 1053 CA GLY A 72 5.964 6.383 -3.511 1.00 0.00 C ATOM 1054 C GLY A 72 4.490 6.445 -3.162 1.00 0.00 C ATOM 1055 O GLY A 72 4.096 6.113 -2.044 1.00 0.00 O ATOM 0 H GLY A 72 5.940 7.737 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.153 5.501 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.547 6.268 -2.597 1.00 0.00 H new ATOM 1059 N ASP A 73 3.676 6.877 -4.119 1.00 0.00 N ATOM 1060 CA ASP A 73 2.237 6.988 -3.907 1.00 0.00 C ATOM 1061 C ASP A 73 1.608 5.618 -3.676 1.00 0.00 C ATOM 1062 O ASP A 73 1.828 4.684 -4.449 1.00 0.00 O ATOM 1063 CB ASP A 73 1.573 7.671 -5.105 1.00 0.00 C ATOM 1064 CG ASP A 73 2.110 9.068 -5.342 1.00 0.00 C ATOM 1065 OD1 ASP A 73 3.325 9.202 -5.593 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.314 10.028 -5.278 1.00 0.00 O ATOM 0 H ASP A 73 3.988 7.156 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 73 2.076 7.594 -3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.732 7.067 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.497 7.721 -4.941 1.00 0.00 H new ATOM 1071 N ILE A 74 0.816 5.512 -2.616 1.00 0.00 N ATOM 1072 CA ILE A 74 0.141 4.265 -2.282 1.00 0.00 C ATOM 1073 C ILE A 74 -1.291 4.282 -2.804 1.00 0.00 C ATOM 1074 O ILE A 74 -2.039 5.229 -2.559 1.00 0.00 O ATOM 1075 CB ILE A 74 0.135 4.015 -0.760 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.574 3.949 -0.233 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.620 2.734 -0.434 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.672 3.737 1.265 1.00 0.00 C ATOM 0 H ILE A 74 0.625 6.279 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 74 0.693 3.455 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.376 4.843 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.099 3.139 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.088 4.874 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.615 2.573 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.649 2.819 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.138 1.891 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.721 3.702 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.177 4.559 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.188 2.797 1.532 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.663 3.239 -3.536 1.00 0.00 N ATOM 1091 CA ILE A 75 -3.001 3.148 -4.106 1.00 0.00 C ATOM 1092 C ILE A 75 -3.601 1.761 -3.900 1.00 0.00 C ATOM 1093 O ILE A 75 -2.917 0.750 -4.049 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.982 3.494 -5.597 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -2.427 4.908 -5.760 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -4.381 3.375 -6.192 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.574 5.465 -7.148 1.00 0.00 C ATOM 0 H ILE A 75 -1.058 2.446 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.627 3.872 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.343 2.793 -6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.934 5.570 -5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.371 4.906 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.348 3.625 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.742 2.354 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.054 4.061 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.157 6.471 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.042 4.827 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.630 5.501 -7.416 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.883 1.724 -3.545 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.571 0.461 -3.307 1.00 0.00 C ATOM 1111 C VAL A 76 -6.827 0.334 -4.165 1.00 0.00 C ATOM 1112 O VAL A 76 -7.674 1.227 -4.181 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.962 0.319 -1.823 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.689 -0.994 -1.578 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -4.732 0.430 -0.935 1.00 0.00 C ATOM 0 H VAL A 76 -5.464 2.553 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.876 -0.333 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.642 1.132 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.955 -1.072 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.594 -1.027 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.040 -1.826 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.027 0.327 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.025 -0.359 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.261 1.401 -1.085 1.00 0.00 H new ATOM 1125 N THR A 77 -6.944 -0.792 -4.865 1.00 0.00 N ATOM 1126 CA THR A 77 -8.099 -1.054 -5.714 1.00 0.00 C ATOM 1127 C THR A 77 -9.110 -1.929 -4.981 1.00 0.00 C ATOM 1128 O THR A 77 -8.735 -2.879 -4.293 1.00 0.00 O ATOM 1129 CB THR A 77 -7.690 -1.743 -7.031 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.747 -0.927 -7.736 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.903 -1.998 -7.914 1.00 0.00 C ATOM 0 H THR A 77 -6.249 -1.539 -4.859 1.00 0.00 H new ATOM 0 HA THR A 77 -8.551 -0.091 -5.953 1.00 0.00 H new ATOM 0 HB THR A 77 -7.234 -2.702 -6.785 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.490 -1.371 -8.571 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.586 -2.485 -8.836 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.607 -2.642 -7.387 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.386 -1.050 -8.152 1.00 0.00 H new ATOM 1139 N THR A 78 -10.388 -1.602 -5.124 1.00 0.00 N ATOM 1140 CA THR A 78 -11.444 -2.360 -4.465 1.00 0.00 C ATOM 1141 C THR A 78 -12.602 -2.633 -5.418 1.00 0.00 C ATOM 1142 O THR A 78 -12.981 -1.771 -6.212 1.00 0.00 O ATOM 1143 CB THR A 78 -11.981 -1.619 -3.226 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.505 -0.341 -3.609 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.885 -1.433 -2.186 1.00 0.00 C ATOM 0 H THR A 78 -10.718 -0.819 -5.689 1.00 0.00 H new ATOM 0 HA THR A 78 -11.003 -3.306 -4.151 1.00 0.00 H new ATOM 0 HB THR A 78 -12.776 -2.221 -2.787 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.846 0.124 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.290 -0.907 -1.321 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.509 -2.408 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.070 -0.850 -2.616 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.157 -3.837 -5.332 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.272 -4.232 -6.184 1.00 0.00 C ATOM 1155 C LYS A 79 -15.438 -3.262 -6.033 1.00 0.00 C ATOM 1156 O LYS A 79 -16.009 -2.805 -7.024 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.716 -5.653 -5.838 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.601 -6.677 -5.979 1.00 0.00 C ATOM 1159 CD LYS A 79 -14.037 -8.071 -5.548 1.00 0.00 C ATOM 1160 CE LYS A 79 -15.034 -8.687 -6.523 1.00 0.00 C ATOM 1161 NZ LYS A 79 -16.335 -7.963 -6.532 1.00 0.00 N ATOM 0 H LYS A 79 -12.851 -4.558 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.940 -4.206 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.091 -5.671 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.545 -5.936 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.268 -6.708 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.746 -6.365 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.162 -8.716 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.485 -8.020 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.609 -8.679 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.203 -9.730 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -17.109 -8.642 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.469 -7.478 -5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.337 -7.263 -7.301 1.00 0.00 H new ATOM 1175 N SER A 80 -15.779 -2.937 -4.789 1.00 0.00 N ATOM 1176 CA SER A 80 -16.865 -2.006 -4.516 1.00 0.00 C ATOM 1177 C SER A 80 -16.504 -0.615 -5.028 1.00 0.00 C ATOM 1178 O SER A 80 -17.246 -0.012 -5.803 1.00 0.00 O ATOM 1179 CB SER A 80 -17.160 -1.957 -3.016 1.00 0.00 C ATOM 1180 OG SER A 80 -16.019 -1.538 -2.284 1.00 0.00 O ATOM 0 H SER A 80 -15.319 -3.305 -3.957 1.00 0.00 H new ATOM 0 HA SER A 80 -17.760 -2.351 -5.035 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.988 -1.274 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.475 -2.942 -2.672 1.00 0.00 H new ATOM 0 HG SER A 80 -16.234 -1.513 -1.328 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.347 -0.125 -4.598 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.883 1.181 -5.028 1.00 0.00 C ATOM 1188 C GLY A 81 -14.075 1.106 -6.307 1.00 0.00 C ATOM 1189 O GLY A 81 -14.543 0.580 -7.317 1.00 0.00 O ATOM 0 H GLY A 81 -14.720 -0.611 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.740 1.838 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.275 1.626 -4.241 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.853 1.627 -6.258 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.985 1.605 -7.421 1.00 0.00 C ATOM 1195 C GLY A 82 -10.561 1.995 -7.077 1.00 0.00 C ATOM 1196 O GLY A 82 -10.058 1.644 -6.010 1.00 0.00 O ATOM 0 H GLY A 82 -12.448 2.065 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.991 0.607 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.375 2.287 -8.177 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.910 2.724 -7.977 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.537 3.160 -7.751 1.00 0.00 C ATOM 1202 C LYS A 83 -8.490 4.244 -6.679 1.00 0.00 C ATOM 1203 O LYS A 83 -9.144 5.280 -6.803 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.927 3.684 -9.053 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.470 4.098 -8.920 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.907 4.632 -10.230 1.00 0.00 C ATOM 1207 CE LYS A 83 -6.477 6.001 -10.579 1.00 0.00 C ATOM 1208 NZ LYS A 83 -7.933 5.947 -10.888 1.00 0.00 N ATOM 0 H LYS A 83 -10.309 3.024 -8.866 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.956 2.304 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.008 2.912 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.509 4.539 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.379 4.862 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.878 3.243 -8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.821 4.699 -10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.131 3.930 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.310 6.684 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.941 6.407 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.153 6.626 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.187 4.988 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.478 6.190 -10.036 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.715 3.999 -5.626 1.00 0.00 N ATOM 1223 CA GLY A 84 -7.604 4.968 -4.551 1.00 0.00 C ATOM 1224 C GLY A 84 -6.467 5.947 -4.760 1.00 0.00 C ATOM 1225 O GLY A 84 -5.977 6.109 -5.877 1.00 0.00 O ATOM 0 H GLY A 84 -7.164 3.150 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.541 5.519 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.456 4.442 -3.608 1.00 0.00 H new ATOM 1229 N THR A 85 -6.043 6.591 -3.675 1.00 0.00 N ATOM 1230 CA THR A 85 -4.951 7.561 -3.719 1.00 0.00 C ATOM 1231 C THR A 85 -4.280 7.669 -2.354 1.00 0.00 C ATOM 1232 O THR A 85 -4.556 6.876 -1.454 1.00 0.00 O ATOM 1233 CB THR A 85 -5.445 8.966 -4.129 1.00 0.00 C ATOM 1234 OG1 THR A 85 -6.440 9.421 -3.203 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.023 8.966 -5.537 1.00 0.00 C ATOM 0 H THR A 85 -6.443 6.457 -2.746 1.00 0.00 H new ATOM 0 HA THR A 85 -4.242 7.203 -4.465 1.00 0.00 H new ATOM 0 HB THR A 85 -4.588 9.639 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.749 10.313 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.360 9.971 -5.792 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.257 8.650 -6.245 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.866 8.277 -5.584 1.00 0.00 H new ATOM 1243 N SER A 86 -3.410 8.664 -2.199 1.00 0.00 N ATOM 1244 CA SER A 86 -2.716 8.882 -0.935 1.00 0.00 C ATOM 1245 C SER A 86 -1.953 10.197 -0.943 1.00 0.00 C ATOM 1246 O SER A 86 -1.151 10.458 -1.841 1.00 0.00 O ATOM 1247 CB SER A 86 -1.746 7.736 -0.643 1.00 0.00 C ATOM 1248 OG SER A 86 -1.091 7.927 0.598 1.00 0.00 O ATOM 0 H SER A 86 -3.170 9.331 -2.933 1.00 0.00 H new ATOM 0 HA SER A 86 -3.474 8.921 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.288 6.791 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.007 7.668 -1.441 1.00 0.00 H new ATOM 0 HG SER A 86 -0.224 8.358 0.447 1.00 0.00 H new ATOM 1254 N THR A 87 -2.188 11.015 0.075 1.00 0.00 N ATOM 1255 CA THR A 87 -1.506 12.292 0.198 1.00 0.00 C ATOM 1256 C THR A 87 -0.050 12.072 0.591 1.00 0.00 C ATOM 1257 O THR A 87 0.840 12.817 0.180 1.00 0.00 O ATOM 1258 CB THR A 87 -2.182 13.199 1.244 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.159 12.568 2.530 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.620 13.498 0.847 1.00 0.00 C ATOM 0 H THR A 87 -2.847 10.814 0.827 1.00 0.00 H new ATOM 0 HA THR A 87 -1.560 12.787 -0.772 1.00 0.00 H new ATOM 0 HB THR A 87 -1.629 14.137 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.589 13.152 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.079 14.140 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.633 14.004 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.179 12.565 0.776 1.00 0.00 H new ATOM 1268 N VAL A 88 0.177 11.035 1.392 1.00 0.00 N ATOM 1269 CA VAL A 88 1.515 10.691 1.855 1.00 0.00 C ATOM 1270 C VAL A 88 2.250 9.823 0.837 1.00 0.00 C ATOM 1271 O VAL A 88 1.672 9.393 -0.160 1.00 0.00 O ATOM 1272 CB VAL A 88 1.463 9.946 3.202 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.847 10.831 4.276 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.688 8.644 3.062 1.00 0.00 C ATOM 0 H VAL A 88 -0.556 10.415 1.736 1.00 0.00 H new ATOM 0 HA VAL A 88 2.056 11.629 1.982 1.00 0.00 H new ATOM 0 HB VAL A 88 2.482 9.703 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.818 10.289 5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.448 11.733 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.167 11.106 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.662 8.131 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.330 8.860 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.177 8.007 2.324 1.00 0.00 H new ATOM 1284 N SER A 89 3.527 9.564 1.106 1.00 0.00 N ATOM 1285 CA SER A 89 4.346 8.740 0.225 1.00 0.00 C ATOM 1286 C SER A 89 5.528 8.148 0.985 1.00 0.00 C ATOM 1287 O SER A 89 6.191 8.838 1.758 1.00 0.00 O ATOM 1288 CB SER A 89 4.850 9.562 -0.964 1.00 0.00 C ATOM 1289 OG SER A 89 5.584 10.692 -0.530 1.00 0.00 O ATOM 0 H SER A 89 4.017 9.914 1.929 1.00 0.00 H new ATOM 0 HA SER A 89 3.726 7.924 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.479 8.939 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.004 9.885 -1.571 1.00 0.00 H new ATOM 0 HG SER A 89 5.896 11.198 -1.309 1.00 0.00 H new ATOM 1295 N PHE A 90 5.782 6.863 0.761 1.00 0.00 N ATOM 1296 CA PHE A 90 6.882 6.172 1.426 1.00 0.00 C ATOM 1297 C PHE A 90 8.191 6.364 0.669 1.00 0.00 C ATOM 1298 O PHE A 90 8.272 6.087 -0.528 1.00 0.00 O ATOM 1299 CB PHE A 90 6.569 4.679 1.541 1.00 0.00 C ATOM 1300 CG PHE A 90 7.712 3.861 2.079 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.175 4.054 3.370 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.316 2.895 1.292 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.221 3.298 3.864 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.361 2.136 1.781 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.815 2.339 3.069 1.00 0.00 C ATOM 0 H PHE A 90 5.241 6.278 0.124 1.00 0.00 H new ATOM 0 HA PHE A 90 6.995 6.600 2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.703 4.547 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.292 4.298 0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.714 4.803 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.966 2.733 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.574 3.458 4.872 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.822 1.385 1.157 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.633 1.748 3.454 1.00 0.00 H new ATOM 1315 N LYS A 91 9.219 6.820 1.378 1.00 0.00 N ATOM 1316 CA LYS A 91 10.528 7.024 0.772 1.00 0.00 C ATOM 1317 C LYS A 91 11.304 5.711 0.755 1.00 0.00 C ATOM 1318 O LYS A 91 11.558 5.119 1.804 1.00 0.00 O ATOM 1319 CB LYS A 91 11.312 8.089 1.542 1.00 0.00 C ATOM 1320 CG LYS A 91 12.678 8.389 0.945 1.00 0.00 C ATOM 1321 CD LYS A 91 13.444 9.424 1.760 1.00 0.00 C ATOM 1322 CE LYS A 91 13.912 8.868 3.101 1.00 0.00 C ATOM 1323 NZ LYS A 91 12.776 8.557 4.013 1.00 0.00 N ATOM 0 H LYS A 91 9.170 7.054 2.370 1.00 0.00 H new ATOM 0 HA LYS A 91 10.390 7.368 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.727 9.009 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.440 7.760 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.259 7.469 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.556 8.750 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.307 9.767 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.808 10.293 1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.497 7.964 2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.572 9.591 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.048 8.775 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.950 9.131 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.536 7.548 3.937 1.00 0.00 H new ATOM 1337 N LEU A 92 11.668 5.252 -0.438 1.00 0.00 N ATOM 1338 CA LEU A 92 12.402 4.000 -0.572 1.00 0.00 C ATOM 1339 C LEU A 92 13.902 4.218 -0.403 1.00 0.00 C ATOM 1340 O LEU A 92 14.484 5.106 -1.023 1.00 0.00 O ATOM 1341 CB LEU A 92 12.125 3.361 -1.933 1.00 0.00 C ATOM 1342 CG LEU A 92 12.647 1.933 -2.088 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.875 0.984 -1.184 1.00 0.00 C ATOM 1344 CD2 LEU A 92 12.558 1.488 -3.537 1.00 0.00 C ATOM 0 H LEU A 92 11.468 5.725 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 92 12.059 3.330 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.049 3.360 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.572 3.983 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 92 13.695 1.913 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.259 -0.029 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.993 1.294 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.818 1.006 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.934 0.469 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.519 1.522 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.157 2.153 -4.159 1.00 0.00 H new ATOM 1356 N LEU A 93 14.523 3.393 0.435 1.00 0.00 N ATOM 1357 CA LEU A 93 15.957 3.488 0.678 1.00 0.00 C ATOM 1358 C LEU A 93 16.724 2.530 -0.228 1.00 0.00 C ATOM 1359 O LEU A 93 16.332 1.376 -0.401 1.00 0.00 O ATOM 1360 CB LEU A 93 16.277 3.189 2.144 1.00 0.00 C ATOM 1361 CG LEU A 93 15.589 4.102 3.162 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.013 3.735 4.574 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.902 5.563 2.871 1.00 0.00 C ATOM 0 H LEU A 93 14.055 2.652 0.957 1.00 0.00 H new ATOM 0 HA LEU A 93 16.269 4.508 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.996 2.158 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.355 3.262 2.286 1.00 0.00 H new ATOM 0 HG LEU A 93 14.511 3.962 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.515 4.393 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.735 2.701 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.093 3.847 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.404 6.195 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.979 5.722 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.548 5.819 1.872 1.00 0.00 H new ATOM 1375 N LYS A 94 17.819 3.018 -0.801 1.00 0.00 N ATOM 1376 CA LYS A 94 18.646 2.206 -1.688 1.00 0.00 C ATOM 1377 C LYS A 94 19.255 1.025 -0.934 1.00 0.00 C ATOM 1378 O LYS A 94 19.710 1.173 0.200 1.00 0.00 O ATOM 1379 CB LYS A 94 19.752 3.061 -2.308 1.00 0.00 C ATOM 1380 CG LYS A 94 19.226 4.213 -3.150 1.00 0.00 C ATOM 1381 CD LYS A 94 20.357 5.047 -3.733 1.00 0.00 C ATOM 1382 CE LYS A 94 21.186 5.710 -2.644 1.00 0.00 C ATOM 1383 NZ LYS A 94 22.294 6.527 -3.212 1.00 0.00 N ATOM 0 H LYS A 94 18.155 3.972 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 94 18.012 1.815 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.381 3.460 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.386 2.427 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.609 3.821 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.584 4.847 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.999 4.413 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.944 5.811 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.543 6.344 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.599 4.946 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.836 6.963 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.922 5.918 -3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.899 7.272 -3.820 1.00 0.00 H new ATOM 1397 N PRO A 95 19.269 -0.170 -1.554 1.00 0.00 N ATOM 1398 CA PRO A 95 19.826 -1.375 -0.930 1.00 0.00 C ATOM 1399 C PRO A 95 21.305 -1.223 -0.589 1.00 0.00 C ATOM 1400 O PRO A 95 22.093 -0.747 -1.406 1.00 0.00 O ATOM 1401 CB PRO A 95 19.633 -2.466 -1.992 1.00 0.00 C ATOM 1402 CG PRO A 95 19.424 -1.732 -3.272 1.00 0.00 C ATOM 1403 CD PRO A 95 18.750 -0.442 -2.905 1.00 0.00 C ATOM 0 HA PRO A 95 19.334 -1.598 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.505 -3.118 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.777 -3.098 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.373 -1.547 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.808 -2.313 -3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.001 0.357 -3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.664 -0.539 -2.908 1.00 0.00 H new ATOM 1411 N GLU A 96 21.671 -1.630 0.623 1.00 0.00 N ATOM 1412 CA GLU A 96 23.055 -1.543 1.076 1.00 0.00 C ATOM 1413 C GLU A 96 23.927 -2.564 0.349 1.00 0.00 C ATOM 1414 O GLU A 96 24.277 -3.606 0.906 1.00 0.00 O ATOM 1415 CB GLU A 96 23.131 -1.768 2.588 1.00 0.00 C ATOM 1416 CG GLU A 96 22.291 -0.787 3.389 1.00 0.00 C ATOM 1417 CD GLU A 96 22.377 -1.030 4.883 1.00 0.00 C ATOM 1418 OE1 GLU A 96 22.016 -2.141 5.325 1.00 0.00 O ATOM 1419 OE2 GLU A 96 22.805 -0.110 5.610 1.00 0.00 O ATOM 0 H GLU A 96 21.027 -2.024 1.309 1.00 0.00 H new ATOM 0 HA GLU A 96 23.429 -0.545 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 96 22.804 -2.783 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 96 24.170 -1.690 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 96 22.619 0.229 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 96 21.251 -0.861 3.072 1.00 0.00 H new ATOM 1426 N LYS A 97 24.270 -2.260 -0.899 1.00 0.00 N ATOM 1427 CA LYS A 97 25.094 -3.150 -1.707 1.00 0.00 C ATOM 1428 C LYS A 97 26.476 -3.328 -1.086 1.00 0.00 C ATOM 1429 O LYS A 97 26.929 -2.404 -0.378 1.00 0.00 O ATOM 1430 CB LYS A 97 25.225 -2.602 -3.130 1.00 0.00 C ATOM 1431 CG LYS A 97 23.891 -2.422 -3.838 1.00 0.00 C ATOM 1432 CD LYS A 97 24.072 -1.892 -5.251 1.00 0.00 C ATOM 1433 CE LYS A 97 24.825 -2.879 -6.128 1.00 0.00 C ATOM 1434 NZ LYS A 97 25.000 -2.368 -7.516 1.00 0.00 N ATOM 1435 OXT LYS A 97 27.095 -4.389 -1.315 1.00 0.00 O ATOM 0 H LYS A 97 23.989 -1.402 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 97 24.607 -4.124 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.741 -1.642 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 97 25.849 -3.278 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 97 23.365 -3.376 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 97 23.266 -1.734 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 97 23.096 -1.685 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.614 -0.947 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.802 -3.082 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 97 24.285 -3.826 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 25.518 -3.070 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 24.067 -2.199 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 25.537 -1.478 -7.493 1.00 0.00 H new TER 1449 LYS A 97