USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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 30 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.61) USER MOD Set 1.2: A 59 TYR OH : rot 22:sc= 0.00491 USER MOD Set 2.1: A 19 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.6) USER MOD Set 2.2: A 55 TYR OH : rot 166:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -169:sc= 0 (180deg=-0.148) USER MOD Single : A 10 ASN : amide:sc= 0.114 X(o=0.11,f=-0.045) USER MOD Single : A 20 SER OG : rot -165:sc= 1.35 USER MOD Single : A 22 GLN : amide:sc= 0.389 K(o=0.39,f=-6.5!) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.449) USER MOD Single : A 25 SER OG : rot 168:sc= 0.958 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0938 X(o=-0.094,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 35 SER OG : rot -35:sc= 1.3 USER MOD Single : A 37 SER OG : rot 170:sc= -0.635 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -81:sc= 1.24 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.127) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -25:sc= 1.15 USER MOD Single : A 78 SER OG : rot -21:sc= 0.441 USER MOD Single : A 80 THR OG1 : rot -140:sc= 1.18 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 82 THR OG1 : rot -48:sc= 0.287 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0.0107 K(o=0.011,f=-1.7!) USER MOD Single : A 93 SER OG : rot -50:sc= 0.284 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -24.799 -15.798 19.371 1.00 0.00 N ATOM 2 CA VAL A 1 -23.514 -15.109 19.691 1.00 0.00 C ATOM 3 C VAL A 1 -23.760 -14.164 20.931 1.00 0.00 C ATOM 4 O VAL A 1 -24.078 -12.987 20.725 1.00 0.00 O ATOM 5 CB VAL A 1 -22.944 -14.388 18.414 1.00 0.00 C ATOM 6 CG1 VAL A 1 -21.622 -13.626 18.678 1.00 0.00 C ATOM 7 CG2 VAL A 1 -22.658 -15.337 17.223 1.00 0.00 C ATOM 0 H1 VAL A 1 -24.623 -16.559 18.684 1.00 0.00 H new ATOM 0 H2 VAL A 1 -25.202 -16.202 20.240 1.00 0.00 H new ATOM 0 H3 VAL A 1 -25.468 -15.113 18.965 1.00 0.00 H new ATOM 0 HA VAL A 1 -22.736 -15.817 19.977 1.00 0.00 H new ATOM 0 HB VAL A 1 -23.749 -13.699 18.160 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -21.285 -13.152 17.756 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -21.788 -12.863 19.438 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -20.862 -14.326 19.026 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -22.268 -14.761 16.384 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -21.924 -16.085 17.522 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -23.581 -15.834 16.924 1.00 0.00 H new ATOM 8 N PRO A 2 -23.602 -14.585 22.228 1.00 0.00 N ATOM 9 CA PRO A 2 -23.868 -13.685 23.396 1.00 0.00 C ATOM 10 C PRO A 2 -22.667 -12.756 23.805 1.00 0.00 C ATOM 11 O PRO A 2 -22.148 -12.806 24.923 1.00 0.00 O ATOM 12 CB PRO A 2 -24.289 -14.730 24.452 1.00 0.00 C ATOM 13 CG PRO A 2 -23.471 -15.982 24.127 1.00 0.00 C ATOM 14 CD PRO A 2 -23.407 -16.002 22.600 1.00 0.00 C ATOM 0 HA PRO A 2 -24.617 -12.915 23.212 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -24.081 -14.375 25.461 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -25.358 -14.934 24.399 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -22.475 -15.932 24.567 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -23.947 -16.881 24.517 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.450 -16.383 22.243 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -24.182 -16.639 22.174 1.00 0.00 H new ATOM 15 N ASP A 3 -22.216 -11.903 22.873 1.00 0.00 N ATOM 16 CA ASP A 3 -21.049 -11.001 23.057 1.00 0.00 C ATOM 17 C ASP A 3 -21.073 -9.852 21.976 1.00 0.00 C ATOM 18 O ASP A 3 -21.126 -10.180 20.784 1.00 0.00 O ATOM 19 CB ASP A 3 -19.714 -11.801 23.030 1.00 0.00 C ATOM 20 CG ASP A 3 -19.356 -12.643 21.802 1.00 0.00 C ATOM 21 OD1 ASP A 3 -20.172 -13.727 21.672 1.00 0.00 O ATOM 22 OD2 ASP A 3 -18.421 -12.382 21.054 1.00 0.00 O ATOM 0 H ASP A 3 -22.651 -11.813 21.955 1.00 0.00 H new ATOM 0 HA ASP A 3 -21.117 -10.534 24.040 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.904 -11.087 23.182 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.717 -12.468 23.892 1.00 0.00 H new ATOM 23 N PRO A 4 -21.010 -8.521 22.295 1.00 0.00 N ATOM 24 CA PRO A 4 -21.012 -7.450 21.252 1.00 0.00 C ATOM 25 C PRO A 4 -19.617 -7.205 20.569 1.00 0.00 C ATOM 26 O PRO A 4 -18.921 -6.222 20.840 1.00 0.00 O ATOM 27 CB PRO A 4 -21.567 -6.264 22.070 1.00 0.00 C ATOM 28 CG PRO A 4 -21.048 -6.486 23.494 1.00 0.00 C ATOM 29 CD PRO A 4 -21.092 -8.002 23.676 1.00 0.00 C ATOM 0 HA PRO A 4 -21.603 -7.682 20.366 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.221 -5.312 21.668 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -22.657 -6.244 22.046 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.036 -6.100 23.614 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.672 -5.978 24.229 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.262 -8.357 24.287 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.010 -8.320 24.170 1.00 0.00 H new ATOM 30 N ARG A 5 -19.229 -8.108 19.656 1.00 0.00 N ATOM 31 CA ARG A 5 -17.918 -8.061 18.956 1.00 0.00 C ATOM 32 C ARG A 5 -18.124 -8.328 17.428 1.00 0.00 C ATOM 33 O ARG A 5 -18.089 -9.467 16.955 1.00 0.00 O ATOM 34 CB ARG A 5 -16.964 -9.076 19.650 1.00 0.00 C ATOM 35 CG ARG A 5 -15.508 -9.024 19.126 1.00 0.00 C ATOM 36 CD ARG A 5 -14.589 -10.049 19.805 1.00 0.00 C ATOM 37 NE ARG A 5 -13.234 -9.946 19.203 1.00 0.00 N ATOM 38 CZ ARG A 5 -12.214 -10.748 19.481 1.00 0.00 C ATOM 39 NH1 ARG A 5 -12.262 -11.725 20.349 1.00 0.00 N ATOM 40 NH2 ARG A 5 -11.099 -10.550 18.849 1.00 0.00 N ATOM 0 H ARG A 5 -19.811 -8.897 19.375 1.00 0.00 H new ATOM 0 HA ARG A 5 -17.456 -7.076 19.025 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -16.961 -8.883 20.723 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -17.355 -10.083 19.509 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.508 -9.201 18.050 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -15.106 -8.023 19.284 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.541 -9.862 20.878 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.985 -11.056 19.675 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.076 -9.202 18.524 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.124 -11.909 20.862 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.438 -12.303 20.513 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.028 -9.797 18.164 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.293 -11.147 19.037 1.00 0.00 H new ATOM 41 N GLY A 6 -18.312 -7.250 16.648 1.00 0.00 N ATOM 42 CA GLY A 6 -18.430 -7.350 15.158 1.00 0.00 C ATOM 43 C GLY A 6 -17.180 -7.794 14.357 1.00 0.00 C ATOM 44 O GLY A 6 -17.268 -8.697 13.528 1.00 0.00 O ATOM 0 H GLY A 6 -18.387 -6.299 17.008 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.236 -8.048 14.933 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -18.739 -6.375 14.781 1.00 0.00 H new ATOM 45 N ILE A 7 -16.049 -7.117 14.602 1.00 0.00 N ATOM 46 CA ILE A 7 -14.673 -7.488 14.103 1.00 0.00 C ATOM 47 C ILE A 7 -14.479 -7.993 12.609 1.00 0.00 C ATOM 48 O ILE A 7 -13.574 -8.776 12.304 1.00 0.00 O ATOM 49 CB ILE A 7 -14.030 -8.381 15.245 1.00 0.00 C ATOM 50 CG1 ILE A 7 -12.478 -8.345 15.273 1.00 0.00 C ATOM 51 CG2 ILE A 7 -14.475 -9.869 15.205 1.00 0.00 C ATOM 52 CD1 ILE A 7 -11.861 -6.995 15.688 1.00 0.00 C ATOM 0 H ILE A 7 -16.042 -6.268 15.167 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.116 -6.565 13.943 1.00 0.00 H new ATOM 0 HB ILE A 7 -14.414 -7.917 16.154 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -12.125 -9.114 15.960 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -12.106 -8.607 14.282 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -13.993 -10.415 16.016 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -15.557 -9.928 15.320 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.187 -10.309 14.250 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.774 -7.073 15.676 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -12.177 -6.220 14.989 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.195 -6.736 16.692 1.00 0.00 H new ATOM 53 N ILE A 8 -15.266 -7.471 11.652 1.00 0.00 N ATOM 54 CA ILE A 8 -15.253 -7.944 10.233 1.00 0.00 C ATOM 55 C ILE A 8 -14.311 -7.057 9.341 1.00 0.00 C ATOM 56 O ILE A 8 -14.537 -5.859 9.141 1.00 0.00 O ATOM 57 CB ILE A 8 -16.737 -8.077 9.720 1.00 0.00 C ATOM 58 CG1 ILE A 8 -16.781 -8.840 8.361 1.00 0.00 C ATOM 59 CG2 ILE A 8 -17.505 -6.731 9.595 1.00 0.00 C ATOM 60 CD1 ILE A 8 -18.161 -9.391 7.958 1.00 0.00 C ATOM 0 H ILE A 8 -15.928 -6.715 11.826 1.00 0.00 H new ATOM 0 HA ILE A 8 -14.814 -8.939 10.164 1.00 0.00 H new ATOM 0 HB ILE A 8 -17.255 -8.645 10.493 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.433 -8.169 7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.076 -9.670 8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -18.516 -6.921 9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -17.552 -6.247 10.570 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -16.986 -6.080 8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.082 -9.903 6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -18.508 -10.092 8.717 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -18.871 -8.568 7.873 1.00 0.00 H new ATOM 61 N ILE A 9 -13.247 -7.673 8.802 1.00 0.00 N ATOM 62 CA ILE A 9 -12.293 -6.998 7.871 1.00 0.00 C ATOM 63 C ILE A 9 -12.551 -7.500 6.406 1.00 0.00 C ATOM 64 O ILE A 9 -13.532 -7.088 5.786 1.00 0.00 O ATOM 65 CB ILE A 9 -10.819 -7.087 8.438 1.00 0.00 C ATOM 66 CG1 ILE A 9 -10.279 -8.488 8.869 1.00 0.00 C ATOM 67 CG2 ILE A 9 -10.674 -6.117 9.635 1.00 0.00 C ATOM 68 CD1 ILE A 9 -8.740 -8.541 8.992 1.00 0.00 C ATOM 0 H ILE A 9 -13.014 -8.648 8.990 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.461 -5.923 7.808 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.206 -6.821 7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.722 -8.761 9.827 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.604 -9.233 8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.659 -6.175 10.029 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.877 -5.098 9.305 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.383 -6.394 10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.433 -9.542 9.294 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.290 -8.299 8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.410 -7.819 9.739 1.00 0.00 H new ATOM 69 N ASN A 10 -11.693 -8.365 5.846 1.00 0.00 N ATOM 70 CA ASN A 10 -11.861 -9.017 4.498 1.00 0.00 C ATOM 71 C ASN A 10 -12.100 -8.106 3.236 1.00 0.00 C ATOM 72 O ASN A 10 -12.982 -8.356 2.407 1.00 0.00 O ATOM 73 CB ASN A 10 -12.822 -10.243 4.627 1.00 0.00 C ATOM 74 CG ASN A 10 -14.276 -10.048 5.049 1.00 0.00 C ATOM 75 OD1 ASN A 10 -14.678 -10.362 6.162 1.00 0.00 O ATOM 76 ND2 ASN A 10 -15.115 -9.559 4.183 1.00 0.00 N ATOM 0 H ASN A 10 -10.833 -8.652 6.314 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.863 -9.363 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.833 -10.746 3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.370 -10.932 5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.096 -9.441 4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.791 -9.294 3.253 1.00 0.00 H new ATOM 77 N LEU A 11 -11.212 -7.122 3.028 1.00 0.00 N ATOM 78 CA LEU A 11 -11.240 -6.239 1.834 1.00 0.00 C ATOM 79 C LEU A 11 -10.215 -6.696 0.740 1.00 0.00 C ATOM 80 O LEU A 11 -9.015 -6.857 0.975 1.00 0.00 O ATOM 81 CB LEU A 11 -11.012 -4.762 2.283 1.00 0.00 C ATOM 82 CG LEU A 11 -12.276 -3.981 2.676 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.879 -4.396 4.025 1.00 0.00 C ATOM 84 CD2 LEU A 11 -12.010 -2.466 2.696 1.00 0.00 C ATOM 0 H LEU A 11 -10.453 -6.910 3.676 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.220 -6.311 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.328 -4.761 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.515 -4.228 1.473 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.006 -4.231 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.767 -3.797 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.153 -5.451 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.146 -4.236 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.922 -1.940 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.225 -2.244 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.694 -2.139 1.706 1.00 0.00 H new ATOM 85 N ASP A 12 -10.724 -6.955 -0.471 1.00 0.00 N ATOM 86 CA ASP A 12 -9.870 -7.248 -1.661 1.00 0.00 C ATOM 87 C ASP A 12 -9.396 -5.919 -2.359 1.00 0.00 C ATOM 88 O ASP A 12 -9.905 -4.832 -2.060 1.00 0.00 O ATOM 89 CB ASP A 12 -10.706 -8.157 -2.600 1.00 0.00 C ATOM 90 CG ASP A 12 -10.789 -9.632 -2.206 1.00 0.00 C ATOM 91 OD1 ASP A 12 -11.414 -9.822 -1.009 1.00 0.00 O ATOM 92 OD2 ASP A 12 -10.337 -10.533 -2.902 1.00 0.00 O ATOM 0 H ASP A 12 -11.725 -6.971 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.953 -7.763 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.719 -7.758 -2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.286 -8.093 -3.604 1.00 0.00 H new ATOM 93 N GLU A 13 -8.453 -5.995 -3.322 1.00 0.00 N ATOM 94 CA GLU A 13 -8.013 -4.800 -4.118 1.00 0.00 C ATOM 95 C GLU A 13 -9.216 -4.159 -4.909 1.00 0.00 C ATOM 96 O GLU A 13 -9.918 -4.826 -5.674 1.00 0.00 O ATOM 97 CB GLU A 13 -6.772 -5.216 -4.966 1.00 0.00 C ATOM 98 CG GLU A 13 -6.313 -4.274 -6.115 1.00 0.00 C ATOM 99 CD GLU A 13 -6.990 -4.513 -7.464 1.00 0.00 C ATOM 100 OE1 GLU A 13 -6.769 -5.489 -8.173 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.858 -3.522 -7.797 1.00 0.00 O ATOM 0 H GLU A 13 -7.976 -6.860 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.688 -3.982 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.931 -5.342 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.979 -6.194 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.496 -3.243 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.236 -4.382 -6.243 1.00 0.00 H new ATOM 102 N GLY A 14 -9.448 -2.861 -4.664 1.00 0.00 N ATOM 103 CA GLY A 14 -10.635 -2.123 -5.196 1.00 0.00 C ATOM 104 C GLY A 14 -11.715 -1.675 -4.165 1.00 0.00 C ATOM 105 O GLY A 14 -12.634 -0.948 -4.543 1.00 0.00 O ATOM 0 H GLY A 14 -8.829 -2.283 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.276 -1.235 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.120 -2.754 -5.941 1.00 0.00 H new ATOM 106 N GLU A 15 -11.613 -2.066 -2.884 1.00 0.00 N ATOM 107 CA GLU A 15 -12.603 -1.730 -1.825 1.00 0.00 C ATOM 108 C GLU A 15 -12.132 -0.518 -0.949 1.00 0.00 C ATOM 109 O GLU A 15 -10.980 -0.448 -0.508 1.00 0.00 O ATOM 110 CB GLU A 15 -12.798 -2.997 -0.940 1.00 0.00 C ATOM 111 CG GLU A 15 -13.473 -4.232 -1.598 1.00 0.00 C ATOM 112 CD GLU A 15 -14.944 -4.050 -1.962 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.774 -4.366 -0.933 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.337 -3.661 -3.055 1.00 0.00 O ATOM 0 H GLU A 15 -10.836 -2.631 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.543 -1.432 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.819 -3.304 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.391 -2.713 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.921 -4.490 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.385 -5.079 -0.918 1.00 0.00 H new ATOM 115 N LEU A 16 -13.048 0.422 -0.668 1.00 0.00 N ATOM 116 CA LEU A 16 -12.757 1.638 0.155 1.00 0.00 C ATOM 117 C LEU A 16 -12.673 1.309 1.693 1.00 0.00 C ATOM 118 O LEU A 16 -13.568 0.684 2.269 1.00 0.00 O ATOM 119 CB LEU A 16 -13.842 2.692 -0.220 1.00 0.00 C ATOM 120 CG LEU A 16 -13.557 4.170 0.172 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.369 5.122 -0.724 1.00 0.00 C ATOM 122 CD2 LEU A 16 -13.906 4.490 1.637 1.00 0.00 C ATOM 0 H LEU A 16 -14.012 0.374 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.770 2.045 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.995 2.651 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.780 2.393 0.247 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.485 4.312 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.162 6.154 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.089 4.969 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.433 4.919 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.683 5.537 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.966 4.304 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.316 3.856 2.298 1.00 0.00 H new ATOM 123 N CYS A 17 -11.575 1.731 2.340 1.00 0.00 N ATOM 124 CA CYS A 17 -11.271 1.413 3.761 1.00 0.00 C ATOM 125 C CYS A 17 -11.115 2.671 4.699 1.00 0.00 C ATOM 126 O CYS A 17 -11.341 3.825 4.325 1.00 0.00 O ATOM 127 CB CYS A 17 -9.902 0.664 3.658 1.00 0.00 C ATOM 128 SG CYS A 17 -8.573 1.907 3.674 1.00 0.00 S ATOM 0 H CYS A 17 -10.861 2.308 1.895 1.00 0.00 H new ATOM 0 HA CYS A 17 -12.087 0.849 4.213 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.784 -0.029 4.491 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.859 0.073 2.743 1.00 0.00 H new ATOM 129 N LEU A 18 -10.672 2.399 5.938 1.00 0.00 N ATOM 130 CA LEU A 18 -10.231 3.434 6.911 1.00 0.00 C ATOM 131 C LEU A 18 -8.680 3.182 7.052 1.00 0.00 C ATOM 132 O LEU A 18 -7.901 3.975 6.529 1.00 0.00 O ATOM 133 CB LEU A 18 -11.058 3.402 8.231 1.00 0.00 C ATOM 134 CG LEU A 18 -12.565 3.754 8.129 1.00 0.00 C ATOM 135 CD1 LEU A 18 -13.258 3.503 9.477 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.807 5.214 7.706 1.00 0.00 C ATOM 0 H LEU A 18 -10.606 1.449 6.303 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.413 4.457 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.972 2.404 8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.596 4.093 8.936 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.985 3.109 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.316 3.753 9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.154 2.453 9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.797 4.125 10.244 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.879 5.404 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.357 5.884 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.357 5.389 6.729 1.00 0.00 H new ATOM 137 N ASN A 19 -8.220 2.142 7.779 1.00 0.00 N ATOM 138 CA ASN A 19 -6.780 1.721 7.854 1.00 0.00 C ATOM 139 C ASN A 19 -6.350 0.587 6.827 1.00 0.00 C ATOM 140 O ASN A 19 -7.150 0.100 6.023 1.00 0.00 O ATOM 141 CB ASN A 19 -6.522 1.375 9.353 1.00 0.00 C ATOM 142 CG ASN A 19 -7.280 0.176 9.939 1.00 0.00 C ATOM 143 OD1 ASN A 19 -7.160 -0.951 9.483 1.00 0.00 O ATOM 144 ND2 ASN A 19 -8.091 0.365 10.946 1.00 0.00 N ATOM 0 H ASN A 19 -8.835 1.555 8.342 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.132 2.533 7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.455 1.193 9.478 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.768 2.254 9.949 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.610 -0.421 11.337 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.205 1.299 11.341 1.00 0.00 H new ATOM 145 N SER A 20 -5.075 0.131 6.879 1.00 0.00 N ATOM 146 CA SER A 20 -4.570 -1.031 6.062 1.00 0.00 C ATOM 147 C SER A 20 -4.805 -2.453 6.663 1.00 0.00 C ATOM 148 O SER A 20 -4.769 -3.426 5.908 1.00 0.00 O ATOM 149 CB SER A 20 -3.074 -0.864 5.760 1.00 0.00 C ATOM 150 OG SER A 20 -2.874 0.307 4.974 1.00 0.00 O ATOM 0 H SER A 20 -4.362 0.545 7.479 1.00 0.00 H new ATOM 0 HA SER A 20 -5.176 -0.992 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.511 -0.791 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.700 -1.739 5.229 1.00 0.00 H new ATOM 0 HG SER A 20 -1.973 0.292 4.588 1.00 0.00 H new ATOM 151 N ALA A 21 -5.092 -2.592 7.970 1.00 0.00 N ATOM 152 CA ALA A 21 -5.473 -3.903 8.577 1.00 0.00 C ATOM 153 C ALA A 21 -6.933 -4.424 8.255 1.00 0.00 C ATOM 154 O ALA A 21 -7.375 -5.456 8.760 1.00 0.00 O ATOM 155 CB ALA A 21 -5.275 -3.666 10.082 1.00 0.00 C ATOM 0 H ALA A 21 -5.070 -1.819 8.635 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.861 -4.701 8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.529 -4.574 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.235 -3.404 10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.921 -2.852 10.410 1.00 0.00 H new ATOM 156 N GLN A 22 -7.631 -3.724 7.352 1.00 0.00 N ATOM 157 CA GLN A 22 -8.949 -4.093 6.790 1.00 0.00 C ATOM 158 C GLN A 22 -8.782 -4.868 5.437 1.00 0.00 C ATOM 159 O GLN A 22 -9.517 -5.833 5.204 1.00 0.00 O ATOM 160 CB GLN A 22 -9.761 -2.784 6.621 1.00 0.00 C ATOM 161 CG GLN A 22 -10.358 -2.241 7.945 1.00 0.00 C ATOM 162 CD GLN A 22 -11.028 -0.882 7.807 1.00 0.00 C ATOM 163 OE1 GLN A 22 -10.389 0.154 7.915 1.00 0.00 O ATOM 164 NE2 GLN A 22 -12.312 -0.821 7.566 1.00 0.00 N ATOM 0 H GLN A 22 -7.282 -2.844 6.972 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.483 -4.769 7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.116 -2.021 6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.571 -2.959 5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.086 -2.958 8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.564 -2.170 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.855 -1.680 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.770 0.085 7.470 1.00 0.00 H new ATOM 165 N CYS A 23 -7.846 -4.460 4.547 1.00 0.00 N ATOM 166 CA CYS A 23 -7.524 -5.207 3.314 1.00 0.00 C ATOM 167 C CYS A 23 -6.650 -6.457 3.670 1.00 0.00 C ATOM 168 O CYS A 23 -5.531 -6.305 4.174 1.00 0.00 O ATOM 169 CB CYS A 23 -6.782 -4.269 2.339 1.00 0.00 C ATOM 170 SG CYS A 23 -7.377 -2.561 2.279 1.00 0.00 S ATOM 0 H CYS A 23 -7.297 -3.608 4.665 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.438 -5.558 2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.726 -4.256 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.849 -4.692 1.337 1.00 0.00 H new ATOM 171 N LYS A 24 -7.129 -7.689 3.422 1.00 0.00 N ATOM 172 CA LYS A 24 -6.388 -8.924 3.849 1.00 0.00 C ATOM 173 C LYS A 24 -5.158 -9.376 2.993 1.00 0.00 C ATOM 174 O LYS A 24 -4.601 -10.453 3.224 1.00 0.00 O ATOM 175 CB LYS A 24 -7.436 -10.043 4.072 1.00 0.00 C ATOM 176 CG LYS A 24 -8.272 -9.855 5.361 1.00 0.00 C ATOM 177 CD LYS A 24 -9.244 -11.014 5.666 1.00 0.00 C ATOM 178 CE LYS A 24 -8.681 -12.198 6.473 1.00 0.00 C ATOM 179 NZ LYS A 24 -7.846 -13.088 5.643 1.00 0.00 N ATOM 0 H LYS A 24 -8.008 -7.871 2.938 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.871 -8.670 4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.108 -10.078 3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.925 -11.005 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.593 -9.735 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.843 -8.931 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.097 -10.608 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.623 -11.398 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.089 -11.819 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.505 -12.769 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.754 -14.013 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.291 -13.213 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.903 -12.666 5.522 1.00 0.00 H new ATOM 180 N SER A 25 -4.707 -8.546 2.047 1.00 0.00 N ATOM 181 CA SER A 25 -3.425 -8.745 1.328 1.00 0.00 C ATOM 182 C SER A 25 -2.329 -8.181 2.318 1.00 0.00 C ATOM 183 O SER A 25 -1.755 -8.916 3.125 1.00 0.00 O ATOM 184 CB SER A 25 -3.553 -8.085 -0.082 1.00 0.00 C ATOM 185 OG SER A 25 -3.896 -6.688 -0.016 1.00 0.00 O ATOM 0 H SER A 25 -5.215 -7.713 1.751 1.00 0.00 H new ATOM 0 HA SER A 25 -3.141 -9.771 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.610 -8.198 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.312 -8.614 -0.658 1.00 0.00 H new ATOM 0 HG SER A 25 -3.769 -6.278 -0.897 1.00 0.00 H new ATOM 186 N ASN A 26 -2.047 -6.878 2.223 1.00 0.00 N ATOM 187 CA ASN A 26 -1.182 -6.094 3.161 1.00 0.00 C ATOM 188 C ASN A 26 -1.262 -4.546 2.848 1.00 0.00 C ATOM 189 O ASN A 26 -0.307 -3.826 3.162 1.00 0.00 O ATOM 190 CB ASN A 26 0.295 -6.620 3.109 1.00 0.00 C ATOM 191 CG ASN A 26 1.044 -6.517 4.435 1.00 0.00 C ATOM 192 OD1 ASN A 26 1.781 -5.580 4.715 1.00 0.00 O ATOM 193 ND2 ASN A 26 0.881 -7.484 5.301 1.00 0.00 N ATOM 0 H ASN A 26 -2.421 -6.303 1.468 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.553 -6.236 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.286 -7.662 2.790 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.842 -6.059 2.351 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.365 -7.452 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.270 -8.270 5.079 1.00 0.00 H new ATOM 194 N CYS A 27 -2.346 -3.981 2.245 1.00 0.00 N ATOM 195 CA CYS A 27 -2.308 -2.570 1.777 1.00 0.00 C ATOM 196 C CYS A 27 -3.651 -1.829 1.501 1.00 0.00 C ATOM 197 O CYS A 27 -4.448 -2.225 0.642 1.00 0.00 O ATOM 198 CB CYS A 27 -1.542 -2.601 0.415 1.00 0.00 C ATOM 199 SG CYS A 27 -0.878 -0.979 -0.015 1.00 0.00 S ATOM 0 H CYS A 27 -3.228 -4.464 2.077 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.861 -2.015 2.602 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.728 -3.324 0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.215 -2.939 -0.373 1.00 0.00 H new ATOM 200 N CYS A 28 -3.876 -0.718 2.217 1.00 0.00 N ATOM 201 CA CYS A 28 -4.966 0.231 1.883 1.00 0.00 C ATOM 202 C CYS A 28 -4.199 1.406 1.201 1.00 0.00 C ATOM 203 O CYS A 28 -3.295 2.005 1.798 1.00 0.00 O ATOM 204 CB CYS A 28 -5.835 0.684 3.048 1.00 0.00 C ATOM 205 SG CYS A 28 -7.190 1.592 2.300 1.00 0.00 S ATOM 0 H CYS A 28 -3.323 -0.448 3.031 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.717 -0.240 1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.201 -0.168 3.621 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.272 1.314 3.737 1.00 0.00 H new ATOM 206 N GLN A 29 -4.520 1.707 -0.059 1.00 0.00 N ATOM 207 CA GLN A 29 -3.751 2.685 -0.868 1.00 0.00 C ATOM 208 C GLN A 29 -4.297 4.148 -0.829 1.00 0.00 C ATOM 209 O GLN A 29 -5.402 4.451 -1.288 1.00 0.00 O ATOM 210 CB GLN A 29 -3.683 2.078 -2.304 1.00 0.00 C ATOM 211 CG GLN A 29 -2.246 1.714 -2.766 1.00 0.00 C ATOM 212 CD GLN A 29 -1.248 2.817 -3.076 1.00 0.00 C ATOM 213 OE1 GLN A 29 -0.054 2.703 -2.834 1.00 0.00 O ATOM 214 NE2 GLN A 29 -1.682 3.846 -3.741 1.00 0.00 N ATOM 0 H GLN A 29 -5.310 1.291 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.755 2.820 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.303 1.182 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.111 2.790 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.805 1.086 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.339 1.099 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.677 3.940 -3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.027 4.559 -4.062 1.00 0.00 H new ATOM 215 N HIS A 30 -3.479 5.047 -0.269 1.00 0.00 N ATOM 216 CA HIS A 30 -3.801 6.484 -0.096 1.00 0.00 C ATOM 217 C HIS A 30 -3.491 7.320 -1.384 1.00 0.00 C ATOM 218 O HIS A 30 -2.323 7.459 -1.766 1.00 0.00 O ATOM 219 CB HIS A 30 -2.935 6.973 1.110 1.00 0.00 C ATOM 220 CG HIS A 30 -3.454 8.132 1.957 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.026 8.320 3.264 1.00 0.00 N ATOM 222 CD2 HIS A 30 -4.198 9.240 1.527 1.00 0.00 C ATOM 223 CE1 HIS A 30 -3.552 9.559 3.505 1.00 0.00 C ATOM 224 NE2 HIS A 30 -4.261 10.196 2.528 1.00 0.00 N ATOM 0 H HIS A 30 -2.555 4.800 0.086 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.867 6.619 0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.779 6.122 1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.957 7.258 0.722 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.657 9.335 0.554 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.407 10.032 4.465 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.709 11.113 2.533 1.00 0.00 H new ATOM 225 N ASP A 31 -4.492 7.902 -2.064 1.00 0.00 N ATOM 226 CA ASP A 31 -4.238 8.810 -3.215 1.00 0.00 C ATOM 227 C ASP A 31 -3.914 10.270 -2.734 1.00 0.00 C ATOM 228 O ASP A 31 -4.811 11.100 -2.576 1.00 0.00 O ATOM 229 CB ASP A 31 -5.367 8.657 -4.268 1.00 0.00 C ATOM 230 CG ASP A 31 -6.842 8.947 -3.987 1.00 0.00 C ATOM 231 OD1 ASP A 31 -7.055 10.133 -3.351 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.736 8.213 -4.392 1.00 0.00 O ATOM 0 H ASP A 31 -5.479 7.767 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.329 8.520 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.087 9.291 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.320 7.625 -4.617 1.00 0.00 H new ATOM 233 N THR A 32 -2.614 10.553 -2.502 1.00 0.00 N ATOM 234 CA THR A 32 -2.080 11.861 -1.972 1.00 0.00 C ATOM 235 C THR A 32 -2.747 12.386 -0.636 1.00 0.00 C ATOM 236 O THR A 32 -3.569 11.709 -0.019 1.00 0.00 O ATOM 237 CB THR A 32 -1.948 12.889 -3.144 1.00 0.00 C ATOM 238 OG1 THR A 32 -1.103 13.962 -2.742 1.00 0.00 O ATOM 239 CG2 THR A 32 -3.264 13.516 -3.613 1.00 0.00 C ATOM 0 H THR A 32 -1.875 9.872 -2.677 1.00 0.00 H new ATOM 0 HA THR A 32 -1.072 11.683 -1.598 1.00 0.00 H new ATOM 0 HB THR A 32 -1.547 12.309 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.019 14.605 -3.477 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.065 14.213 -4.427 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.936 12.732 -3.962 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.729 14.049 -2.784 1.00 0.00 H new ATOM 240 N ILE A 33 -2.372 13.571 -0.131 1.00 0.00 N ATOM 241 CA ILE A 33 -2.938 14.152 1.144 1.00 0.00 C ATOM 242 C ILE A 33 -4.516 14.338 1.149 1.00 0.00 C ATOM 243 O ILE A 33 -5.130 14.247 2.214 1.00 0.00 O ATOM 244 CB ILE A 33 -2.197 15.501 1.473 1.00 0.00 C ATOM 245 CG1 ILE A 33 -0.633 15.484 1.416 1.00 0.00 C ATOM 246 CG2 ILE A 33 -2.601 16.092 2.854 1.00 0.00 C ATOM 247 CD1 ILE A 33 0.098 14.485 2.333 1.00 0.00 C ATOM 0 H ILE A 33 -1.674 14.167 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.754 13.419 1.929 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.542 16.127 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.335 15.278 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.276 16.485 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.058 17.021 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.673 16.291 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.356 15.379 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.174 14.581 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.151 14.696 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.211 13.470 2.085 1.00 0.00 H new ATOM 248 N LEU A 34 -5.168 14.557 -0.012 1.00 0.00 N ATOM 249 CA LEU A 34 -6.661 14.637 -0.161 1.00 0.00 C ATOM 250 C LEU A 34 -7.542 13.462 0.422 1.00 0.00 C ATOM 251 O LEU A 34 -8.732 13.673 0.668 1.00 0.00 O ATOM 252 CB LEU A 34 -6.956 14.773 -1.688 1.00 0.00 C ATOM 253 CG LEU A 34 -6.376 15.993 -2.453 1.00 0.00 C ATOM 254 CD1 LEU A 34 -6.632 15.841 -3.961 1.00 0.00 C ATOM 255 CD2 LEU A 34 -6.969 17.328 -1.973 1.00 0.00 C ATOM 0 H LEU A 34 -4.675 14.687 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.958 15.489 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.589 13.871 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.038 14.787 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.305 16.012 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.221 16.702 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.152 14.931 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.705 15.782 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.528 18.147 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.049 17.322 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.751 17.463 -0.914 1.00 0.00 H new ATOM 256 N SER A 35 -6.965 12.262 0.617 1.00 0.00 N ATOM 257 CA SER A 35 -7.568 11.050 1.256 1.00 0.00 C ATOM 258 C SER A 35 -8.061 10.010 0.200 1.00 0.00 C ATOM 259 O SER A 35 -7.216 9.514 -0.550 1.00 0.00 O ATOM 260 CB SER A 35 -8.496 11.341 2.480 1.00 0.00 C ATOM 261 OG SER A 35 -9.779 11.831 2.090 1.00 0.00 O ATOM 0 H SER A 35 -6.005 12.089 0.318 1.00 0.00 H new ATOM 0 HA SER A 35 -6.761 10.524 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.621 10.428 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.015 12.071 3.131 1.00 0.00 H new ATOM 0 HG SER A 35 -9.686 12.394 1.294 1.00 0.00 H new ATOM 262 N LEU A 36 -9.353 9.606 0.187 1.00 0.00 N ATOM 263 CA LEU A 36 -9.912 8.520 -0.690 1.00 0.00 C ATOM 264 C LEU A 36 -9.007 7.228 -0.723 1.00 0.00 C ATOM 265 O LEU A 36 -8.237 6.984 -1.656 1.00 0.00 O ATOM 266 CB LEU A 36 -10.269 9.135 -2.074 1.00 0.00 C ATOM 267 CG LEU A 36 -11.058 8.228 -3.054 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.470 7.888 -2.551 1.00 0.00 C ATOM 269 CD2 LEU A 36 -11.173 8.912 -4.426 1.00 0.00 C ATOM 0 H LEU A 36 -10.059 10.026 0.792 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.839 8.133 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.851 10.041 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.342 9.438 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.499 7.295 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.972 7.251 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.400 7.364 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.040 8.807 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.728 8.268 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.696 9.862 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.176 9.092 -4.828 1.00 0.00 H new ATOM 270 N SER A 37 -9.077 6.425 0.350 1.00 0.00 N ATOM 271 CA SER A 37 -8.169 5.259 0.528 1.00 0.00 C ATOM 272 C SER A 37 -8.830 3.916 0.093 1.00 0.00 C ATOM 273 O SER A 37 -9.732 3.388 0.749 1.00 0.00 O ATOM 274 CB SER A 37 -7.707 5.266 2.000 1.00 0.00 C ATOM 275 OG SER A 37 -7.052 6.495 2.326 1.00 0.00 O ATOM 0 H SER A 37 -9.746 6.553 1.109 1.00 0.00 H new ATOM 0 HA SER A 37 -7.302 5.346 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.566 5.123 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.029 4.431 2.176 1.00 0.00 H new ATOM 0 HG SER A 37 -6.913 6.544 3.295 1.00 0.00 H new ATOM 276 N ARG A 38 -8.361 3.380 -1.040 1.00 0.00 N ATOM 277 CA ARG A 38 -8.911 2.147 -1.671 1.00 0.00 C ATOM 278 C ARG A 38 -7.818 1.032 -1.727 1.00 0.00 C ATOM 279 O ARG A 38 -6.665 1.300 -2.068 1.00 0.00 O ATOM 280 CB ARG A 38 -9.435 2.598 -3.059 1.00 0.00 C ATOM 281 CG ARG A 38 -10.228 1.532 -3.849 1.00 0.00 C ATOM 282 CD ARG A 38 -10.801 2.040 -5.187 1.00 0.00 C ATOM 283 NE ARG A 38 -12.017 2.882 -5.005 1.00 0.00 N ATOM 284 CZ ARG A 38 -12.059 4.210 -5.055 1.00 0.00 C ATOM 285 NH1 ARG A 38 -11.011 4.977 -5.207 1.00 0.00 N ATOM 286 NH2 ARG A 38 -13.216 4.783 -4.943 1.00 0.00 N ATOM 0 H ARG A 38 -7.582 3.784 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.726 1.696 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.072 3.472 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.585 2.915 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.576 0.680 -4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.048 1.170 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.038 2.618 -5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.045 1.188 -5.821 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.896 2.396 -4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.084 4.562 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.121 5.991 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.056 4.217 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.287 5.800 -4.977 1.00 0.00 H new ATOM 287 N CYS A 39 -8.151 -0.227 -1.399 1.00 0.00 N ATOM 288 CA CYS A 39 -7.156 -1.324 -1.307 1.00 0.00 C ATOM 289 C CYS A 39 -6.392 -1.719 -2.611 1.00 0.00 C ATOM 290 O CYS A 39 -6.853 -1.584 -3.748 1.00 0.00 O ATOM 291 CB CYS A 39 -7.885 -2.567 -0.770 1.00 0.00 C ATOM 292 SG CYS A 39 -8.717 -2.356 0.815 1.00 0.00 S ATOM 0 H CYS A 39 -9.106 -0.518 -1.191 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.373 -0.940 -0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.623 -2.881 -1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.163 -3.378 -0.676 1.00 0.00 H new ATOM 293 N ALA A 40 -5.202 -2.271 -2.364 1.00 0.00 N ATOM 294 CA ALA A 40 -4.238 -2.689 -3.395 1.00 0.00 C ATOM 295 C ALA A 40 -3.534 -4.049 -3.042 1.00 0.00 C ATOM 296 O ALA A 40 -3.868 -4.760 -2.085 1.00 0.00 O ATOM 297 CB ALA A 40 -3.326 -1.450 -3.501 1.00 0.00 C ATOM 0 H ALA A 40 -4.869 -2.446 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.673 -2.940 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.552 -1.631 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.920 -0.585 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.861 -1.257 -2.534 1.00 0.00 H new ATOM 298 N LEU A 41 -2.584 -4.439 -3.895 1.00 0.00 N ATOM 299 CA LEU A 41 -1.745 -5.661 -3.705 1.00 0.00 C ATOM 300 C LEU A 41 -0.228 -5.281 -3.542 1.00 0.00 C ATOM 301 O LEU A 41 0.175 -4.124 -3.706 1.00 0.00 O ATOM 302 CB LEU A 41 -2.092 -6.573 -4.927 1.00 0.00 C ATOM 303 CG LEU A 41 -1.496 -8.006 -4.996 1.00 0.00 C ATOM 304 CD1 LEU A 41 -1.874 -8.880 -3.786 1.00 0.00 C ATOM 305 CD2 LEU A 41 -1.971 -8.708 -6.278 1.00 0.00 C ATOM 0 H LEU A 41 -2.361 -3.924 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.953 -6.206 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.177 -6.667 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.782 -6.045 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.412 -7.888 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.426 -9.868 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.506 -8.415 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.958 -8.977 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.550 -9.712 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.059 -8.771 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.642 -8.139 -7.148 1.00 0.00 H new ATOM 306 N LYS A 42 0.622 -6.264 -3.197 1.00 0.00 N ATOM 307 CA LYS A 42 2.105 -6.085 -3.119 1.00 0.00 C ATOM 308 C LYS A 42 2.750 -5.564 -4.455 1.00 0.00 C ATOM 309 O LYS A 42 2.322 -5.942 -5.553 1.00 0.00 O ATOM 310 CB LYS A 42 2.732 -7.469 -2.774 1.00 0.00 C ATOM 311 CG LYS A 42 2.446 -8.108 -1.394 1.00 0.00 C ATOM 312 CD LYS A 42 3.195 -7.432 -0.231 1.00 0.00 C ATOM 313 CE LYS A 42 3.094 -8.250 1.064 1.00 0.00 C ATOM 314 NZ LYS A 42 3.822 -7.548 2.137 1.00 0.00 N ATOM 0 H LYS A 42 0.313 -7.208 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 42 2.305 -5.329 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.405 -8.176 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.813 -7.372 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.375 -8.064 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.721 -9.162 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.244 -7.304 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.785 -6.436 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.049 -8.383 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.513 -9.245 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.757 -8.098 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.821 -7.443 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.402 -6.608 2.284 1.00 0.00 H new ATOM 315 N ALA A 43 3.801 -4.734 -4.368 1.00 0.00 N ATOM 316 CA ALA A 43 4.395 -4.100 -5.569 1.00 0.00 C ATOM 317 C ALA A 43 5.310 -5.034 -6.436 1.00 0.00 C ATOM 318 O ALA A 43 5.983 -5.963 -5.974 1.00 0.00 O ATOM 319 CB ALA A 43 5.155 -2.860 -5.070 1.00 0.00 C ATOM 0 H ALA A 43 4.258 -4.484 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 43 3.592 -3.843 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.616 -2.351 -5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.460 -2.183 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.929 -3.166 -4.366 1.00 0.00 H new ATOM 320 N ARG A 44 5.294 -4.713 -7.731 1.00 0.00 N ATOM 321 CA ARG A 44 6.034 -5.437 -8.801 1.00 0.00 C ATOM 322 C ARG A 44 7.249 -4.610 -9.324 1.00 0.00 C ATOM 323 O ARG A 44 7.407 -3.425 -9.031 1.00 0.00 O ATOM 324 CB ARG A 44 5.001 -5.764 -9.924 1.00 0.00 C ATOM 325 CG ARG A 44 4.261 -7.100 -9.692 1.00 0.00 C ATOM 326 CD ARG A 44 3.017 -7.324 -10.567 1.00 0.00 C ATOM 327 NE ARG A 44 3.388 -7.644 -11.970 1.00 0.00 N ATOM 328 CZ ARG A 44 2.529 -7.961 -12.931 1.00 0.00 C ATOM 329 NH1 ARG A 44 1.232 -8.025 -12.768 1.00 0.00 N ATOM 330 NH2 ARG A 44 3.004 -8.224 -14.108 1.00 0.00 N ATOM 0 H ARG A 44 4.756 -3.924 -8.088 1.00 0.00 H new ATOM 0 HA ARG A 44 6.469 -6.360 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.271 -4.957 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.516 -5.802 -10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.960 -7.918 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.963 -7.154 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.421 -8.137 -10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.393 -6.431 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 44 4.378 -7.618 -12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.822 -7.824 -11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.631 -8.276 -13.553 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.010 -8.184 -14.273 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.372 -8.471 -14.869 1.00 0.00 H new ATOM 331 N GLU A 45 8.114 -5.248 -10.123 1.00 0.00 N ATOM 332 CA GLU A 45 9.395 -4.653 -10.615 1.00 0.00 C ATOM 333 C GLU A 45 9.260 -3.236 -11.280 1.00 0.00 C ATOM 334 O GLU A 45 8.486 -3.032 -12.218 1.00 0.00 O ATOM 335 CB GLU A 45 10.058 -5.653 -11.604 1.00 0.00 C ATOM 336 CG GLU A 45 11.590 -5.448 -11.754 1.00 0.00 C ATOM 337 CD GLU A 45 12.224 -6.264 -12.873 1.00 0.00 C ATOM 338 OE1 GLU A 45 12.257 -5.906 -14.044 1.00 0.00 O ATOM 339 OE2 GLU A 45 12.755 -7.435 -12.428 1.00 0.00 O ATOM 0 H GLU A 45 7.957 -6.199 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 45 10.016 -4.486 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.867 -6.670 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.588 -5.551 -12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.788 -4.391 -11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.074 -5.707 -10.812 1.00 0.00 H new ATOM 340 N ASN A 46 10.046 -2.286 -10.757 1.00 0.00 N ATOM 341 CA ASN A 46 10.008 -0.827 -11.126 1.00 0.00 C ATOM 342 C ASN A 46 8.821 -0.008 -10.479 1.00 0.00 C ATOM 343 O ASN A 46 8.693 1.185 -10.766 1.00 0.00 O ATOM 344 CB ASN A 46 10.151 -0.566 -12.659 1.00 0.00 C ATOM 345 CG ASN A 46 11.431 -1.112 -13.291 1.00 0.00 C ATOM 346 OD1 ASN A 46 12.527 -0.605 -13.086 1.00 0.00 O ATOM 347 ND2 ASN A 46 11.344 -2.169 -14.056 1.00 0.00 N ATOM 0 H ASN A 46 10.749 -2.494 -10.048 1.00 0.00 H new ATOM 0 HA ASN A 46 10.908 -0.424 -10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.295 -1.008 -13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.107 0.509 -12.835 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.185 -2.565 -14.477 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.435 -2.598 -14.232 1.00 0.00 H new ATOM 348 N SER A 47 8.030 -0.577 -9.545 1.00 0.00 N ATOM 349 CA SER A 47 6.963 0.149 -8.807 1.00 0.00 C ATOM 350 C SER A 47 7.395 0.530 -7.353 1.00 0.00 C ATOM 351 O SER A 47 8.256 -0.091 -6.720 1.00 0.00 O ATOM 352 CB SER A 47 5.692 -0.736 -8.830 1.00 0.00 C ATOM 353 OG SER A 47 4.561 -0.052 -8.285 1.00 0.00 O ATOM 0 H SER A 47 8.110 -1.558 -9.277 1.00 0.00 H new ATOM 0 HA SER A 47 6.761 1.102 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.476 -1.036 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.874 -1.649 -8.262 1.00 0.00 H new ATOM 0 HG SER A 47 3.777 -0.639 -8.317 1.00 0.00 H new ATOM 354 N GLU A 48 6.724 1.554 -6.814 1.00 0.00 N ATOM 355 CA GLU A 48 7.064 2.171 -5.512 1.00 0.00 C ATOM 356 C GLU A 48 6.611 1.341 -4.262 1.00 0.00 C ATOM 357 O GLU A 48 5.436 1.260 -3.894 1.00 0.00 O ATOM 358 CB GLU A 48 6.485 3.615 -5.484 1.00 0.00 C ATOM 359 CG GLU A 48 7.005 4.582 -6.587 1.00 0.00 C ATOM 360 CD GLU A 48 6.168 4.621 -7.865 1.00 0.00 C ATOM 361 OE1 GLU A 48 6.250 3.786 -8.759 1.00 0.00 O ATOM 362 OE2 GLU A 48 5.306 5.669 -7.893 1.00 0.00 O ATOM 0 H GLU A 48 5.920 1.987 -7.268 1.00 0.00 H new ATOM 0 HA GLU A 48 8.151 2.193 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.400 3.551 -5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.705 4.054 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.053 5.589 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.024 4.296 -6.848 1.00 0.00 H new ATOM 363 N CYS A 49 7.618 0.753 -3.627 1.00 0.00 N ATOM 364 CA CYS A 49 7.499 -0.027 -2.370 1.00 0.00 C ATOM 365 C CYS A 49 8.241 0.628 -1.168 1.00 0.00 C ATOM 366 O CYS A 49 9.293 1.255 -1.324 1.00 0.00 O ATOM 367 CB CYS A 49 8.136 -1.399 -2.674 1.00 0.00 C ATOM 368 SG CYS A 49 9.919 -1.225 -2.917 1.00 0.00 S ATOM 0 H CYS A 49 8.577 0.799 -3.972 1.00 0.00 H new ATOM 0 HA CYS A 49 6.451 -0.089 -2.076 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.940 -2.088 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.681 -1.829 -3.566 1.00 0.00 H new ATOM 369 N SER A 50 7.718 0.457 0.049 1.00 0.00 N ATOM 370 CA SER A 50 8.443 0.863 1.282 1.00 0.00 C ATOM 371 C SER A 50 8.969 -0.442 1.935 1.00 0.00 C ATOM 372 O SER A 50 8.223 -1.406 2.152 1.00 0.00 O ATOM 373 CB SER A 50 7.547 1.664 2.234 1.00 0.00 C ATOM 374 OG SER A 50 8.243 2.035 3.428 1.00 0.00 O ATOM 0 H SER A 50 6.801 0.044 0.219 1.00 0.00 H new ATOM 0 HA SER A 50 9.270 1.531 1.042 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.188 2.560 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.670 1.071 2.493 1.00 0.00 H new ATOM 0 HG SER A 50 8.253 1.278 4.050 1.00 0.00 H new ATOM 375 N ALA A 51 10.259 -0.453 2.290 1.00 0.00 N ATOM 376 CA ALA A 51 10.857 -1.614 3.000 1.00 0.00 C ATOM 377 C ALA A 51 10.406 -1.736 4.509 1.00 0.00 C ATOM 378 O ALA A 51 10.178 -2.833 5.021 1.00 0.00 O ATOM 379 CB ALA A 51 12.380 -1.413 2.862 1.00 0.00 C ATOM 0 H ALA A 51 10.909 0.311 2.106 1.00 0.00 H new ATOM 0 HA ALA A 51 10.519 -2.554 2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.901 -2.230 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.651 -1.400 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.665 -0.467 3.321 1.00 0.00 H new ATOM 380 N PHE A 52 10.295 -0.591 5.197 1.00 0.00 N ATOM 381 CA PHE A 52 9.739 -0.458 6.564 1.00 0.00 C ATOM 382 C PHE A 52 8.215 -0.072 6.495 1.00 0.00 C ATOM 383 O PHE A 52 7.727 0.485 5.501 1.00 0.00 O ATOM 384 CB PHE A 52 10.583 0.640 7.298 1.00 0.00 C ATOM 385 CG PHE A 52 10.485 2.090 6.751 1.00 0.00 C ATOM 386 CD1 PHE A 52 11.304 2.490 5.689 1.00 0.00 C ATOM 387 CD2 PHE A 52 9.484 2.956 7.207 1.00 0.00 C ATOM 388 CE1 PHE A 52 11.104 3.720 5.070 1.00 0.00 C ATOM 389 CE2 PHE A 52 9.288 4.189 6.588 1.00 0.00 C ATOM 390 CZ PHE A 52 10.096 4.569 5.519 1.00 0.00 C ATOM 0 H PHE A 52 10.598 0.303 4.810 1.00 0.00 H new ATOM 0 HA PHE A 52 9.799 -1.399 7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.283 0.653 8.346 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.630 0.338 7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.096 1.840 5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.862 2.668 8.041 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.730 4.016 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.509 4.850 6.937 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.940 5.523 5.038 1.00 0.00 H new ATOM 391 N THR A 53 7.474 -0.307 7.582 1.00 0.00 N ATOM 392 CA THR A 53 6.051 0.141 7.700 1.00 0.00 C ATOM 393 C THR A 53 5.834 0.921 9.035 1.00 0.00 C ATOM 394 O THR A 53 6.500 0.726 10.056 1.00 0.00 O ATOM 395 CB THR A 53 5.006 -1.012 7.561 1.00 0.00 C ATOM 396 OG1 THR A 53 5.287 -2.087 8.448 1.00 0.00 O ATOM 397 CG2 THR A 53 4.948 -1.600 6.147 1.00 0.00 C ATOM 0 H THR A 53 7.821 -0.804 8.402 1.00 0.00 H new ATOM 0 HA THR A 53 5.875 0.804 6.853 1.00 0.00 H new ATOM 0 HB THR A 53 4.050 -0.548 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.613 -2.789 8.335 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.204 -2.396 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.674 -0.818 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.924 -2.005 5.881 1.00 0.00 H new ATOM 398 N LEU A 54 4.850 1.822 8.987 1.00 0.00 N ATOM 399 CA LEU A 54 4.392 2.608 10.169 1.00 0.00 C ATOM 400 C LEU A 54 3.130 1.979 10.843 1.00 0.00 C ATOM 401 O LEU A 54 3.123 1.641 12.027 1.00 0.00 O ATOM 402 CB LEU A 54 4.296 4.108 9.712 1.00 0.00 C ATOM 403 CG LEU A 54 3.054 4.664 8.942 1.00 0.00 C ATOM 404 CD1 LEU A 54 3.139 6.192 8.816 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.854 4.076 7.532 1.00 0.00 C ATOM 0 H LEU A 54 4.338 2.038 8.132 1.00 0.00 H new ATOM 0 HA LEU A 54 5.103 2.576 10.995 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.408 4.717 10.609 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.166 4.301 9.085 1.00 0.00 H new ATOM 0 HG LEU A 54 2.198 4.357 9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.266 6.562 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.168 6.638 9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.043 6.462 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.970 4.520 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.728 4.295 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.722 2.996 7.603 1.00 0.00 H new ATOM 406 N TYR A 55 2.059 1.865 10.063 1.00 0.00 N ATOM 407 CA TYR A 55 0.724 1.371 10.476 1.00 0.00 C ATOM 408 C TYR A 55 -0.126 1.028 9.199 1.00 0.00 C ATOM 409 O TYR A 55 -0.701 -0.056 9.079 1.00 0.00 O ATOM 410 CB TYR A 55 0.103 2.444 11.428 1.00 0.00 C ATOM 411 CG TYR A 55 -1.368 2.240 11.767 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.762 1.249 12.667 1.00 0.00 C ATOM 413 CD2 TYR A 55 -2.330 2.995 11.095 1.00 0.00 C ATOM 414 CE1 TYR A 55 -3.117 1.030 12.905 1.00 0.00 C ATOM 415 CE2 TYR A 55 -3.682 2.776 11.335 1.00 0.00 C ATOM 416 CZ TYR A 55 -4.077 1.797 12.244 1.00 0.00 C ATOM 417 OH TYR A 55 -5.407 1.578 12.476 1.00 0.00 O ATOM 0 H TYR A 55 2.087 2.124 9.077 1.00 0.00 H new ATOM 0 HA TYR A 55 0.767 0.438 11.037 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.674 2.457 12.356 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.220 3.425 10.968 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.019 0.654 13.177 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.024 3.751 10.387 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.425 0.265 13.602 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.425 3.364 10.817 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.929 2.329 12.123 1.00 0.00 H new ATOM 418 N GLY A 56 -0.214 1.999 8.277 1.00 0.00 N ATOM 419 CA GLY A 56 -0.998 1.888 7.035 1.00 0.00 C ATOM 420 C GLY A 56 -2.368 2.595 7.071 1.00 0.00 C ATOM 421 O GLY A 56 -3.288 2.224 7.794 1.00 0.00 O ATOM 0 H GLY A 56 0.263 2.895 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.413 2.302 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.155 0.832 6.814 1.00 0.00 H new ATOM 422 N VAL A 57 -2.487 3.761 6.462 1.00 0.00 N ATOM 423 CA VAL A 57 -2.760 3.797 4.986 1.00 0.00 C ATOM 424 C VAL A 57 -1.423 4.166 4.264 1.00 0.00 C ATOM 425 O VAL A 57 -0.612 4.978 4.723 1.00 0.00 O ATOM 426 CB VAL A 57 -3.952 4.723 4.603 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.406 4.557 3.134 1.00 0.00 C ATOM 428 CG2 VAL A 57 -5.218 4.414 5.413 1.00 0.00 C ATOM 0 H VAL A 57 -2.408 4.671 6.916 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.091 2.814 4.650 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.561 5.722 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.239 5.230 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.577 4.796 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.722 3.528 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.019 5.087 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.522 3.383 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.013 4.552 6.475 1.00 0.00 H new ATOM 429 N TYR A 58 -1.199 3.522 3.119 1.00 0.00 N ATOM 430 CA TYR A 58 0.083 3.603 2.397 1.00 0.00 C ATOM 431 C TYR A 58 0.062 4.312 1.016 1.00 0.00 C ATOM 432 O TYR A 58 -0.762 4.036 0.143 1.00 0.00 O ATOM 433 CB TYR A 58 0.509 2.119 2.183 1.00 0.00 C ATOM 434 CG TYR A 58 0.813 1.275 3.434 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.849 1.640 4.296 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.046 0.145 3.720 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.165 0.841 5.392 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.373 -0.665 4.808 1.00 0.00 C ATOM 439 CZ TYR A 58 1.431 -0.315 5.642 1.00 0.00 C ATOM 440 OH TYR A 58 1.704 -1.068 6.749 1.00 0.00 O ATOM 0 H TYR A 58 -1.893 2.931 2.663 1.00 0.00 H new ATOM 0 HA TYR A 58 0.761 4.214 2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.283 1.619 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.396 2.113 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.408 2.546 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.802 -0.103 3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.978 1.118 6.047 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.194 -1.563 5.003 1.00 0.00 H new ATOM 0 HH TYR A 58 1.101 -1.840 6.776 1.00 0.00 H new ATOM 441 N TYR A 59 1.046 5.189 0.817 1.00 0.00 N ATOM 442 CA TYR A 59 1.336 5.808 -0.519 1.00 0.00 C ATOM 443 C TYR A 59 2.281 4.914 -1.442 1.00 0.00 C ATOM 444 O TYR A 59 2.740 5.344 -2.501 1.00 0.00 O ATOM 445 CB TYR A 59 2.058 7.156 -0.200 1.00 0.00 C ATOM 446 CG TYR A 59 1.234 8.260 0.482 1.00 0.00 C ATOM 447 CD1 TYR A 59 0.126 8.778 -0.185 1.00 0.00 C ATOM 448 CD2 TYR A 59 1.563 8.753 1.751 1.00 0.00 C ATOM 449 CE1 TYR A 59 -0.679 9.728 0.428 1.00 0.00 C ATOM 450 CE2 TYR A 59 0.782 9.753 2.337 1.00 0.00 C ATOM 451 CZ TYR A 59 -0.345 10.227 1.677 1.00 0.00 C ATOM 452 OH TYR A 59 -1.166 11.143 2.269 1.00 0.00 O ATOM 0 H TYR A 59 1.673 5.502 1.558 1.00 0.00 H new ATOM 0 HA TYR A 59 0.406 5.927 -1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.916 6.936 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.449 7.557 -1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.108 8.439 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.421 8.360 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.570 10.080 -0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.054 10.157 3.301 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.064 11.075 1.883 1.00 0.00 H new ATOM 453 N LYS A 60 2.594 3.691 -0.986 1.00 0.00 N ATOM 454 CA LYS A 60 3.575 2.746 -1.549 1.00 0.00 C ATOM 455 C LYS A 60 3.287 1.343 -0.905 1.00 0.00 C ATOM 456 O LYS A 60 3.631 1.105 0.259 1.00 0.00 O ATOM 457 CB LYS A 60 5.031 3.257 -1.234 1.00 0.00 C ATOM 458 CG LYS A 60 5.355 4.121 0.033 1.00 0.00 C ATOM 459 CD LYS A 60 4.801 3.632 1.395 1.00 0.00 C ATOM 460 CE LYS A 60 5.261 4.480 2.587 1.00 0.00 C ATOM 461 NZ LYS A 60 4.900 3.812 3.852 1.00 0.00 N ATOM 0 H LYS A 60 2.138 3.309 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 60 3.492 2.667 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.669 2.375 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.355 3.835 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.439 4.198 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.977 5.128 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.712 3.635 1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.111 2.599 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.339 4.631 2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.799 5.466 2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.399 4.270 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.874 3.885 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.172 2.809 3.805 1.00 0.00 H new ATOM 462 N CYS A 61 2.644 0.388 -1.599 1.00 0.00 N ATOM 463 CA CYS A 61 2.456 -0.984 -1.046 1.00 0.00 C ATOM 464 C CYS A 61 3.809 -1.790 -0.905 1.00 0.00 C ATOM 465 O CYS A 61 4.567 -1.815 -1.883 1.00 0.00 O ATOM 466 CB CYS A 61 1.469 -1.734 -1.956 1.00 0.00 C ATOM 467 SG CYS A 61 -0.181 -1.011 -1.900 1.00 0.00 S ATOM 0 H CYS A 61 2.248 0.527 -2.529 1.00 0.00 H new ATOM 0 HA CYS A 61 2.062 -0.894 -0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.837 -1.718 -2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.418 -2.779 -1.652 1.00 0.00 H new ATOM 468 N PRO A 62 4.160 -2.467 0.236 1.00 0.00 N ATOM 469 CA PRO A 62 5.395 -3.307 0.337 1.00 0.00 C ATOM 470 C PRO A 62 5.642 -4.338 -0.819 1.00 0.00 C ATOM 471 O PRO A 62 4.701 -4.799 -1.475 1.00 0.00 O ATOM 472 CB PRO A 62 5.204 -3.974 1.712 1.00 0.00 C ATOM 473 CG PRO A 62 4.372 -2.981 2.524 1.00 0.00 C ATOM 474 CD PRO A 62 3.402 -2.390 1.504 1.00 0.00 C ATOM 0 HA PRO A 62 6.297 -2.704 0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.693 -4.932 1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.163 -4.170 2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.842 -3.476 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.998 -2.210 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.474 -2.959 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.133 -1.363 1.751 1.00 0.00 H new ATOM 475 N CYS A 63 6.909 -4.680 -1.098 1.00 0.00 N ATOM 476 CA CYS A 63 7.246 -5.542 -2.263 1.00 0.00 C ATOM 477 C CYS A 63 6.901 -7.068 -2.105 1.00 0.00 C ATOM 478 O CYS A 63 6.891 -7.630 -1.006 1.00 0.00 O ATOM 479 CB CYS A 63 8.736 -5.302 -2.598 1.00 0.00 C ATOM 480 SG CYS A 63 8.876 -5.553 -4.370 1.00 0.00 S ATOM 0 H CYS A 63 7.714 -4.382 -0.547 1.00 0.00 H new ATOM 0 HA CYS A 63 6.602 -5.249 -3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.044 -4.294 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.377 -5.994 -2.052 1.00 0.00 H new ATOM 481 N GLU A 64 6.610 -7.731 -3.238 1.00 0.00 N ATOM 482 CA GLU A 64 6.242 -9.175 -3.276 1.00 0.00 C ATOM 483 C GLU A 64 7.388 -10.186 -2.899 1.00 0.00 C ATOM 484 O GLU A 64 8.579 -9.864 -2.955 1.00 0.00 O ATOM 485 CB GLU A 64 5.669 -9.412 -4.708 1.00 0.00 C ATOM 486 CG GLU A 64 6.690 -9.409 -5.887 1.00 0.00 C ATOM 487 CD GLU A 64 6.141 -9.567 -7.303 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.089 -10.427 -7.382 1.00 0.00 O ATOM 489 OE2 GLU A 64 6.626 -9.002 -8.277 1.00 0.00 O ATOM 0 H GLU A 64 6.621 -7.290 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 64 5.513 -9.384 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.150 -10.371 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.921 -8.644 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.247 -8.473 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.405 -10.213 -5.713 1.00 0.00 H new ATOM 490 N ARG A 65 7.028 -11.445 -2.566 1.00 0.00 N ATOM 491 CA ARG A 65 8.020 -12.509 -2.235 1.00 0.00 C ATOM 492 C ARG A 65 8.929 -12.862 -3.468 1.00 0.00 C ATOM 493 O ARG A 65 8.468 -13.297 -4.528 1.00 0.00 O ATOM 494 CB ARG A 65 7.258 -13.739 -1.679 1.00 0.00 C ATOM 495 CG ARG A 65 8.203 -14.805 -1.074 1.00 0.00 C ATOM 496 CD ARG A 65 7.459 -16.010 -0.492 1.00 0.00 C ATOM 497 NE ARG A 65 8.460 -16.969 0.038 1.00 0.00 N ATOM 498 CZ ARG A 65 8.177 -18.132 0.610 1.00 0.00 C ATOM 499 NH1 ARG A 65 6.965 -18.589 0.786 1.00 0.00 N ATOM 500 NH2 ARG A 65 9.168 -18.859 1.019 1.00 0.00 N ATOM 0 H ARG A 65 6.058 -11.756 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 65 8.705 -12.148 -1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.553 -13.410 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.673 -14.191 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.892 -15.149 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.805 -14.345 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.783 -15.691 0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.848 -16.485 -1.260 1.00 0.00 H new ATOM 0 HE ARG A 65 9.444 -16.714 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.163 -18.041 0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.821 -19.494 1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.126 -18.531 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.990 -19.760 1.464 1.00 0.00 H new ATOM 501 N GLY A 66 10.232 -12.645 -3.280 1.00 0.00 N ATOM 502 CA GLY A 66 11.247 -12.767 -4.370 1.00 0.00 C ATOM 503 C GLY A 66 11.899 -11.436 -4.837 1.00 0.00 C ATOM 504 O GLY A 66 13.062 -11.429 -5.246 1.00 0.00 O ATOM 0 H GLY A 66 10.629 -12.380 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.037 -13.438 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.774 -13.240 -5.231 1.00 0.00 H new ATOM 505 N LEU A 67 11.161 -10.318 -4.794 1.00 0.00 N ATOM 506 CA LEU A 67 11.684 -8.974 -5.146 1.00 0.00 C ATOM 507 C LEU A 67 12.062 -8.160 -3.866 1.00 0.00 C ATOM 508 O LEU A 67 11.397 -8.201 -2.827 1.00 0.00 O ATOM 509 CB LEU A 67 10.622 -8.230 -6.006 1.00 0.00 C ATOM 510 CG LEU A 67 10.690 -8.499 -7.530 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.265 -9.918 -7.940 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.825 -7.490 -8.283 1.00 0.00 C ATOM 0 H LEU A 67 10.180 -10.312 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 67 12.600 -9.082 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.631 -8.510 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.731 -7.158 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 67 11.742 -8.393 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.342 -10.022 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.917 -10.647 -7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.234 -10.093 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.881 -7.690 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.790 -7.578 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.185 -6.481 -8.083 1.00 0.00 H new ATOM 513 N THR A 68 13.147 -7.385 -3.975 1.00 0.00 N ATOM 514 CA THR A 68 13.652 -6.523 -2.878 1.00 0.00 C ATOM 515 C THR A 68 13.170 -5.048 -3.044 1.00 0.00 C ATOM 516 O THR A 68 12.992 -4.530 -4.150 1.00 0.00 O ATOM 517 CB THR A 68 15.214 -6.631 -2.844 1.00 0.00 C ATOM 518 OG1 THR A 68 15.647 -6.593 -1.491 1.00 0.00 O ATOM 519 CG2 THR A 68 16.003 -5.516 -3.549 1.00 0.00 C ATOM 0 H THR A 68 13.708 -7.331 -4.825 1.00 0.00 H new ATOM 0 HA THR A 68 13.249 -6.865 -1.925 1.00 0.00 H new ATOM 0 HB THR A 68 15.417 -7.560 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.624 -6.662 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.071 -5.709 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.733 -5.491 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.765 -4.556 -3.091 1.00 0.00 H new ATOM 520 N CYS A 69 13.017 -4.383 -1.907 1.00 0.00 N ATOM 521 CA CYS A 69 12.706 -2.936 -1.870 1.00 0.00 C ATOM 522 C CYS A 69 13.998 -2.074 -1.664 1.00 0.00 C ATOM 523 O CYS A 69 14.600 -2.133 -0.586 1.00 0.00 O ATOM 524 CB CYS A 69 11.614 -2.734 -0.810 1.00 0.00 C ATOM 525 SG CYS A 69 10.870 -1.137 -1.147 1.00 0.00 S ATOM 0 H CYS A 69 13.101 -4.814 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 69 12.318 -2.582 -2.825 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.869 -3.528 -0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 69 12.038 -2.761 0.194 1.00 0.00 H new ATOM 526 N GLU A 70 14.415 -1.241 -2.633 1.00 0.00 N ATOM 527 CA GLU A 70 15.608 -0.352 -2.460 1.00 0.00 C ATOM 528 C GLU A 70 15.146 1.076 -2.003 1.00 0.00 C ATOM 529 O GLU A 70 14.724 1.908 -2.810 1.00 0.00 O ATOM 530 CB GLU A 70 16.490 -0.383 -3.744 1.00 0.00 C ATOM 531 CG GLU A 70 15.877 0.060 -5.102 1.00 0.00 C ATOM 532 CD GLU A 70 16.862 0.067 -6.265 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.173 -1.187 -6.689 1.00 0.00 O ATOM 534 OE2 GLU A 70 17.312 1.087 -6.771 1.00 0.00 O ATOM 0 H GLU A 70 13.958 -1.155 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 70 16.254 -0.717 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.361 0.245 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.853 -1.403 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.049 -0.605 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.460 1.061 -4.989 1.00 0.00 H new ATOM 535 N GLY A 71 15.228 1.353 -0.687 1.00 0.00 N ATOM 536 CA GLY A 71 14.713 2.612 -0.059 1.00 0.00 C ATOM 537 C GLY A 71 15.477 3.942 -0.234 1.00 0.00 C ATOM 538 O GLY A 71 15.837 4.588 0.749 1.00 0.00 O ATOM 0 H GLY A 71 15.654 0.714 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.702 2.769 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.630 2.427 1.012 1.00 0.00 H new ATOM 539 N ASP A 72 15.690 4.354 -1.485 1.00 0.00 N ATOM 540 CA ASP A 72 16.326 5.655 -1.833 1.00 0.00 C ATOM 541 C ASP A 72 15.311 6.599 -2.575 1.00 0.00 C ATOM 542 O ASP A 72 15.314 6.693 -3.807 1.00 0.00 O ATOM 543 CB ASP A 72 17.583 5.320 -2.685 1.00 0.00 C ATOM 544 CG ASP A 72 18.826 4.833 -1.941 1.00 0.00 C ATOM 545 OD1 ASP A 72 18.581 3.718 -1.198 1.00 0.00 O ATOM 546 OD2 ASP A 72 19.920 5.379 -2.030 1.00 0.00 O ATOM 0 H ASP A 72 15.429 3.800 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 72 16.625 6.208 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.304 4.557 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 72 17.856 6.212 -3.249 1.00 0.00 H new ATOM 547 N LYS A 73 14.442 7.306 -1.820 1.00 0.00 N ATOM 548 CA LYS A 73 13.463 8.332 -2.335 1.00 0.00 C ATOM 549 C LYS A 73 12.290 7.880 -3.302 1.00 0.00 C ATOM 550 O LYS A 73 11.216 8.485 -3.262 1.00 0.00 O ATOM 551 CB LYS A 73 14.272 9.539 -2.908 1.00 0.00 C ATOM 552 CG LYS A 73 13.518 10.888 -2.946 1.00 0.00 C ATOM 553 CD LYS A 73 14.406 12.033 -3.473 1.00 0.00 C ATOM 554 CE LYS A 73 13.701 13.391 -3.364 1.00 0.00 C ATOM 555 NZ LYS A 73 14.546 14.456 -3.935 1.00 0.00 N ATOM 0 H LYS A 73 14.388 7.188 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 73 12.873 8.598 -1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.175 9.664 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.591 9.292 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.636 10.792 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.166 11.134 -1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.338 12.060 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.668 11.841 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.746 13.355 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.483 13.612 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.055 15.369 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.447 14.500 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.733 14.251 -4.937 1.00 0.00 H new ATOM 556 N SER A 74 12.467 6.850 -4.152 1.00 0.00 N ATOM 557 CA SER A 74 11.496 6.384 -5.205 1.00 0.00 C ATOM 558 C SER A 74 11.323 7.338 -6.449 1.00 0.00 C ATOM 559 O SER A 74 10.213 7.538 -6.948 1.00 0.00 O ATOM 560 CB SER A 74 10.139 5.932 -4.588 1.00 0.00 C ATOM 561 OG SER A 74 9.300 7.032 -4.230 1.00 0.00 O ATOM 0 H SER A 74 13.317 6.287 -4.137 1.00 0.00 H new ATOM 0 HA SER A 74 11.971 5.503 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.614 5.298 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.332 5.325 -3.704 1.00 0.00 H new ATOM 0 HG SER A 74 9.852 7.824 -4.064 1.00 0.00 H new ATOM 562 N LEU A 75 12.438 7.875 -6.997 1.00 0.00 N ATOM 563 CA LEU A 75 12.447 8.835 -8.154 1.00 0.00 C ATOM 564 C LEU A 75 11.545 10.102 -7.901 1.00 0.00 C ATOM 565 O LEU A 75 10.402 10.171 -8.356 1.00 0.00 O ATOM 566 CB LEU A 75 12.135 8.054 -9.475 1.00 0.00 C ATOM 567 CG LEU A 75 12.618 8.629 -10.836 1.00 0.00 C ATOM 568 CD1 LEU A 75 11.997 9.986 -11.202 1.00 0.00 C ATOM 569 CD2 LEU A 75 14.150 8.706 -10.944 1.00 0.00 C ATOM 0 H LEU A 75 13.374 7.659 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 75 13.444 9.262 -8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.561 7.056 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.053 7.935 -9.536 1.00 0.00 H new ATOM 0 HG LEU A 75 12.256 7.904 -11.565 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.386 10.316 -12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.913 9.885 -11.264 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.250 10.720 -10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.426 9.115 -11.916 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.538 9.350 -10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.573 7.707 -10.837 1.00 0.00 H new ATOM 570 N VAL A 76 12.055 11.067 -7.109 1.00 0.00 N ATOM 571 CA VAL A 76 11.323 12.305 -6.652 1.00 0.00 C ATOM 572 C VAL A 76 9.913 12.179 -5.934 1.00 0.00 C ATOM 573 O VAL A 76 9.379 13.194 -5.478 1.00 0.00 O ATOM 574 CB VAL A 76 11.417 13.390 -7.792 1.00 0.00 C ATOM 575 CG1 VAL A 76 10.322 13.343 -8.883 1.00 0.00 C ATOM 576 CG2 VAL A 76 11.464 14.831 -7.235 1.00 0.00 C ATOM 0 H VAL A 76 13.009 11.023 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 76 11.857 12.634 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 76 12.356 13.118 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.496 14.138 -9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.353 12.378 -9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.344 13.480 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.528 15.539 -8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.560 15.028 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.337 14.944 -6.592 1.00 0.00 H new ATOM 577 N GLY A 77 9.339 10.976 -5.761 1.00 0.00 N ATOM 578 CA GLY A 77 8.032 10.783 -5.076 1.00 0.00 C ATOM 579 C GLY A 77 6.777 11.059 -5.930 1.00 0.00 C ATOM 580 O GLY A 77 6.146 12.106 -5.779 1.00 0.00 O ATOM 0 H GLY A 77 9.760 10.107 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.982 9.757 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.003 11.433 -4.201 1.00 0.00 H new ATOM 581 N SER A 78 6.370 10.099 -6.778 1.00 0.00 N ATOM 582 CA SER A 78 5.177 10.266 -7.677 1.00 0.00 C ATOM 583 C SER A 78 3.742 10.413 -7.033 1.00 0.00 C ATOM 584 O SER A 78 2.780 10.691 -7.755 1.00 0.00 O ATOM 585 CB SER A 78 5.207 9.062 -8.647 1.00 0.00 C ATOM 586 OG SER A 78 4.229 9.210 -9.680 1.00 0.00 O ATOM 0 H SER A 78 6.836 9.197 -6.872 1.00 0.00 H new ATOM 0 HA SER A 78 5.294 11.245 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.199 8.973 -9.091 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.021 8.141 -8.095 1.00 0.00 H new ATOM 0 HG SER A 78 3.537 9.840 -9.388 1.00 0.00 H new ATOM 587 N ILE A 79 3.595 10.186 -5.723 1.00 0.00 N ATOM 588 CA ILE A 79 2.328 10.416 -4.957 1.00 0.00 C ATOM 589 C ILE A 79 2.722 11.444 -3.829 1.00 0.00 C ATOM 590 O ILE A 79 2.259 12.587 -3.838 1.00 0.00 O ATOM 591 CB ILE A 79 1.654 9.075 -4.462 1.00 0.00 C ATOM 592 CG1 ILE A 79 1.432 7.989 -5.565 1.00 0.00 C ATOM 593 CG2 ILE A 79 0.271 9.390 -3.843 1.00 0.00 C ATOM 594 CD1 ILE A 79 2.592 6.984 -5.699 1.00 0.00 C ATOM 0 H ILE A 79 4.354 9.832 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 79 1.531 10.833 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 79 2.361 8.660 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.516 7.442 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.283 8.485 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.194 8.465 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.396 10.067 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.365 9.860 -4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.361 6.264 -6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.508 7.517 -5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.729 6.458 -4.754 1.00 0.00 H new ATOM 595 N THR A 80 3.558 11.031 -2.857 1.00 0.00 N ATOM 596 CA THR A 80 4.167 11.921 -1.821 1.00 0.00 C ATOM 597 C THR A 80 5.718 11.662 -1.781 1.00 0.00 C ATOM 598 O THR A 80 6.249 10.715 -2.374 1.00 0.00 O ATOM 599 CB THR A 80 3.494 11.767 -0.423 1.00 0.00 C ATOM 600 OG1 THR A 80 3.456 10.413 -0.006 1.00 0.00 O ATOM 601 CG2 THR A 80 2.058 12.287 -0.402 1.00 0.00 C ATOM 0 H THR A 80 3.841 10.056 -2.759 1.00 0.00 H new ATOM 0 HA THR A 80 3.989 12.960 -2.098 1.00 0.00 H new ATOM 0 HB THR A 80 4.109 12.360 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.597 10.229 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.638 12.155 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.051 13.346 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.459 11.732 -1.124 1.00 0.00 H new ATOM 602 N ASN A 81 6.472 12.533 -1.089 1.00 0.00 N ATOM 603 CA ASN A 81 7.958 12.484 -1.076 1.00 0.00 C ATOM 604 C ASN A 81 8.533 12.601 0.373 1.00 0.00 C ATOM 605 O ASN A 81 8.702 13.698 0.912 1.00 0.00 O ATOM 606 CB ASN A 81 8.407 13.621 -2.035 1.00 0.00 C ATOM 607 CG ASN A 81 9.907 13.645 -2.345 1.00 0.00 C ATOM 608 OD1 ASN A 81 10.607 12.639 -2.326 1.00 0.00 O ATOM 609 ND2 ASN A 81 10.448 14.790 -2.662 1.00 0.00 N ATOM 0 H ASN A 81 6.080 13.287 -0.525 1.00 0.00 H new ATOM 0 HA ASN A 81 8.349 11.526 -1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.858 13.525 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.125 14.579 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.441 14.839 -2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.878 15.635 -2.682 1.00 0.00 H new ATOM 610 N THR A 82 8.808 11.449 1.001 1.00 0.00 N ATOM 611 CA THR A 82 9.488 11.388 2.338 1.00 0.00 C ATOM 612 C THR A 82 10.786 10.522 2.163 1.00 0.00 C ATOM 613 O THR A 82 11.822 11.060 1.766 1.00 0.00 O ATOM 614 CB THR A 82 8.511 10.950 3.484 1.00 0.00 C ATOM 615 OG1 THR A 82 7.962 9.664 3.240 1.00 0.00 O ATOM 616 CG2 THR A 82 7.312 11.885 3.699 1.00 0.00 C ATOM 0 H THR A 82 8.575 10.533 0.616 1.00 0.00 H new ATOM 0 HA THR A 82 9.800 12.376 2.677 1.00 0.00 H new ATOM 0 HB THR A 82 9.144 10.971 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.627 9.621 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.693 11.502 4.510 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.670 12.882 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.721 11.935 2.784 1.00 0.00 H new ATOM 617 N ASN A 83 10.762 9.204 2.433 1.00 0.00 N ATOM 618 CA ASN A 83 11.910 8.290 2.164 1.00 0.00 C ATOM 619 C ASN A 83 11.341 6.909 1.689 1.00 0.00 C ATOM 620 O ASN A 83 11.226 5.953 2.462 1.00 0.00 O ATOM 621 CB ASN A 83 12.828 8.212 3.415 1.00 0.00 C ATOM 622 CG ASN A 83 14.165 7.523 3.139 1.00 0.00 C ATOM 623 OD1 ASN A 83 15.129 8.129 2.693 1.00 0.00 O ATOM 624 ND2 ASN A 83 14.256 6.233 3.325 1.00 0.00 N ATOM 0 H ASN A 83 9.954 8.735 2.842 1.00 0.00 H new ATOM 0 HA ASN A 83 12.546 8.664 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.016 9.221 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.307 7.675 4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.123 5.745 3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.460 5.714 3.696 1.00 0.00 H new ATOM 625 N PHE A 84 10.979 6.823 0.403 1.00 0.00 N ATOM 626 CA PHE A 84 10.357 5.603 -0.193 1.00 0.00 C ATOM 627 C PHE A 84 11.394 4.764 -1.025 1.00 0.00 C ATOM 628 O PHE A 84 12.584 5.083 -1.091 1.00 0.00 O ATOM 629 CB PHE A 84 9.134 6.118 -1.019 1.00 0.00 C ATOM 630 CG PHE A 84 7.934 6.819 -0.333 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.726 6.818 1.054 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.008 7.472 -1.155 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.629 7.475 1.603 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.902 8.114 -0.602 1.00 0.00 C ATOM 635 CZ PHE A 84 5.720 8.123 0.777 1.00 0.00 C ATOM 0 H PHE A 84 11.102 7.586 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 84 10.019 4.897 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.524 6.812 -1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.734 5.261 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.422 6.304 1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.152 7.478 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.484 7.481 2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.186 8.605 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.871 8.634 1.206 1.00 0.00 H new ATOM 636 N GLY A 85 10.967 3.653 -1.643 1.00 0.00 N ATOM 637 CA GLY A 85 11.845 2.824 -2.521 1.00 0.00 C ATOM 638 C GLY A 85 11.198 2.224 -3.783 1.00 0.00 C ATOM 639 O GLY A 85 10.046 2.503 -4.109 1.00 0.00 O ATOM 0 H GLY A 85 10.015 3.296 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.691 3.437 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.247 2.006 -1.924 1.00 0.00 H new ATOM 640 N ILE A 86 11.964 1.395 -4.505 1.00 0.00 N ATOM 641 CA ILE A 86 11.482 0.718 -5.755 1.00 0.00 C ATOM 642 C ILE A 86 11.705 -0.837 -5.648 1.00 0.00 C ATOM 643 O ILE A 86 12.714 -1.321 -5.125 1.00 0.00 O ATOM 644 CB ILE A 86 12.190 1.303 -7.041 1.00 0.00 C ATOM 645 CG1 ILE A 86 12.118 2.851 -7.224 1.00 0.00 C ATOM 646 CG2 ILE A 86 11.615 0.674 -8.340 1.00 0.00 C ATOM 647 CD1 ILE A 86 10.720 3.439 -7.497 1.00 0.00 C ATOM 0 H ILE A 86 12.927 1.165 -4.258 1.00 0.00 H new ATOM 0 HA ILE A 86 10.414 0.913 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 86 13.234 1.041 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 86 12.518 3.321 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 86 12.774 3.129 -8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 86 12.124 1.098 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.769 -0.405 -8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 86 10.548 0.887 -8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.795 4.521 -7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.317 3.009 -8.414 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.057 3.204 -6.664 1.00 0.00 H new ATOM 648 N CYS A 87 10.758 -1.620 -6.186 1.00 0.00 N ATOM 649 CA CYS A 87 10.878 -3.101 -6.297 1.00 0.00 C ATOM 650 C CYS A 87 11.878 -3.570 -7.412 1.00 0.00 C ATOM 651 O CYS A 87 11.736 -3.186 -8.578 1.00 0.00 O ATOM 652 CB CYS A 87 9.478 -3.608 -6.681 1.00 0.00 C ATOM 653 SG CYS A 87 8.371 -3.851 -5.297 1.00 0.00 S ATOM 0 H CYS A 87 9.882 -1.254 -6.560 1.00 0.00 H new ATOM 0 HA CYS A 87 11.256 -3.491 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.025 -2.897 -7.372 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.582 -4.551 -7.217 1.00 0.00 H new ATOM 654 N HIS A 88 12.849 -4.443 -7.087 1.00 0.00 N ATOM 655 CA HIS A 88 13.767 -5.048 -8.092 1.00 0.00 C ATOM 656 C HIS A 88 14.015 -6.551 -7.739 1.00 0.00 C ATOM 657 O HIS A 88 13.972 -6.976 -6.583 1.00 0.00 O ATOM 658 CB HIS A 88 15.073 -4.228 -8.182 1.00 0.00 C ATOM 659 CG HIS A 88 14.962 -2.934 -8.993 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.065 -2.914 -10.377 1.00 0.00 N ATOM 661 CD2 HIS A 88 14.567 -1.673 -8.510 1.00 0.00 C ATOM 662 CE1 HIS A 88 14.717 -1.605 -10.607 1.00 0.00 C ATOM 663 NE2 HIS A 88 14.447 -0.776 -9.555 1.00 0.00 N ATOM 0 H HIS A 88 13.025 -4.752 -6.131 1.00 0.00 H new ATOM 0 HA HIS A 88 13.311 -5.020 -9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.401 -3.981 -7.172 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.848 -4.853 -8.625 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.384 -1.439 -7.472 1.00 0.00 H new ATOM 0 HE1 HIS A 88 14.657 -1.232 -11.619 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.222 0.219 -9.544 1.00 0.00 H new ATOM 664 N ASN A 89 14.379 -7.372 -8.730 1.00 0.00 N ATOM 665 CA ASN A 89 14.500 -8.854 -8.544 1.00 0.00 C ATOM 666 C ASN A 89 15.947 -9.307 -8.151 1.00 0.00 C ATOM 667 O ASN A 89 16.756 -9.784 -8.950 1.00 0.00 O ATOM 668 CB ASN A 89 13.985 -9.453 -9.869 1.00 0.00 C ATOM 669 CG ASN A 89 13.712 -10.958 -9.877 1.00 0.00 C ATOM 670 OD1 ASN A 89 12.588 -11.412 -9.720 1.00 0.00 O ATOM 671 ND2 ASN A 89 14.706 -11.784 -10.069 1.00 0.00 N ATOM 0 H ASN A 89 14.598 -7.053 -9.674 1.00 0.00 H new ATOM 0 HA ASN A 89 13.912 -9.213 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.064 -8.938 -10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.715 -9.234 -10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.537 -12.790 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.651 -11.423 -10.202 1.00 0.00 H new ATOM 672 N VAL A 90 16.199 -9.151 -6.854 1.00 0.00 N ATOM 673 CA VAL A 90 17.507 -9.489 -6.197 1.00 0.00 C ATOM 674 C VAL A 90 17.382 -10.661 -5.151 1.00 0.00 C ATOM 675 O VAL A 90 18.272 -11.510 -5.080 1.00 0.00 O ATOM 676 CB VAL A 90 18.135 -8.180 -5.582 1.00 0.00 C ATOM 677 CG1 VAL A 90 19.486 -8.411 -4.861 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.393 -7.054 -6.615 1.00 0.00 C ATOM 0 H VAL A 90 15.507 -8.783 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 90 18.187 -9.873 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 90 17.366 -7.876 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.854 -7.464 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 90 19.345 -9.116 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.211 -8.815 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.825 -6.190 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 90 19.084 -7.412 -7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.451 -6.767 -7.083 1.00 0.00 H new ATOM 679 N GLY A 91 16.323 -10.692 -4.324 1.00 0.00 N ATOM 680 CA GLY A 91 16.130 -11.739 -3.272 1.00 0.00 C ATOM 681 C GLY A 91 15.890 -13.216 -3.679 1.00 0.00 C ATOM 682 O GLY A 91 16.391 -14.114 -3.001 1.00 0.00 O ATOM 0 H GLY A 91 15.573 -10.002 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.011 -11.719 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.283 -11.430 -2.660 1.00 0.00 H new ATOM 683 N ARG A 92 15.091 -13.469 -4.731 1.00 0.00 N ATOM 684 CA ARG A 92 14.758 -14.832 -5.270 1.00 0.00 C ATOM 685 C ARG A 92 13.823 -15.714 -4.360 1.00 0.00 C ATOM 686 O ARG A 92 12.744 -16.116 -4.805 1.00 0.00 O ATOM 687 CB ARG A 92 16.052 -15.553 -5.756 1.00 0.00 C ATOM 688 CG ARG A 92 15.830 -16.848 -6.577 1.00 0.00 C ATOM 689 CD ARG A 92 17.128 -17.481 -7.118 1.00 0.00 C ATOM 690 NE ARG A 92 17.630 -16.791 -8.339 1.00 0.00 N ATOM 691 CZ ARG A 92 18.625 -15.909 -8.381 1.00 0.00 C ATOM 692 NH1 ARG A 92 19.282 -15.484 -7.334 1.00 0.00 N ATOM 693 NH2 ARG A 92 18.961 -15.434 -9.539 1.00 0.00 N ATOM 0 H ARG A 92 14.638 -12.721 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 92 14.121 -14.671 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.629 -14.855 -6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.660 -15.797 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 92 15.316 -17.578 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 92 15.170 -16.625 -7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.895 -17.448 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.949 -18.532 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 92 17.170 -17.015 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.042 -15.831 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.035 -14.805 -7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.467 -15.739 -10.378 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.719 -14.756 -9.611 1.00 0.00 H new ATOM 694 N SER A 93 14.185 -16.013 -3.101 1.00 0.00 N ATOM 695 CA SER A 93 13.399 -16.904 -2.196 1.00 0.00 C ATOM 696 C SER A 93 12.054 -16.296 -1.668 1.00 0.00 C ATOM 697 O SER A 93 11.753 -16.212 -0.476 1.00 0.00 O ATOM 698 CB SER A 93 14.381 -17.292 -1.063 1.00 0.00 C ATOM 699 OG SER A 93 13.751 -18.158 -0.117 1.00 0.00 O ATOM 0 H SER A 93 15.034 -15.647 -2.669 1.00 0.00 H new ATOM 0 HA SER A 93 13.040 -17.775 -2.745 1.00 0.00 H new ATOM 0 HB2 SER A 93 15.256 -17.785 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.735 -16.393 -0.559 1.00 0.00 H new ATOM 0 HG SER A 93 12.894 -17.772 0.160 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 11.215 -15.920 -2.681 1.00 0.00 O