USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 72 HIS : no HD1:sc= 0.00195 K(o=0.024,f=-1.2) USER MOD Set 1.2: A 91 SER OG : rot 160:sc= 0.0216 USER MOD Set 2.1: A 54 HIS : no HD1:sc= 0 X(o=-0.067,f=-0.067) USER MOD Set 2.2: A 58 GLN : amide:sc= -0.0666 X(o=-0.067,f=-0.11) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 160:sc= 0.298 (180deg=0) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -0.617 K(o=-0.32,f=-2.1) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.233 K(o=0.23,f=-3.9!) USER MOD Single : A 46 MET CE :methyl 179:sc= -0.216 (180deg=-0.219) USER MOD Single : A 48 THR OG1 : rot -150:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 167:sc= -0.263 (180deg=-0.68) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 11:sc= 1.23 USER MOD Single : A 61 MET CE :methyl 172:sc= -2.22 (180deg=-2.52) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 69 GLN : amide:sc= 0.535 K(o=0.53,f=-0.012) USER MOD Single : A 71 GLN : amide:sc= 0.898 K(o=0.9,f=-0.34) USER MOD Single : A 73 MET CE :methyl -157:sc= -0.0512 (180deg=-0.396) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.143 USER MOD Single : A 88 GLN : amide:sc= 0.116 X(o=0.12,f=-0.38) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= 1.19 (180deg=0.997) USER MOD Single : A 105 ASN : amide:sc= 0.633 K(o=0.63,f=-3.6!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 2.854 13.093 10.328 1.00 0.00 N ATOM 2 CA GLN A 23 4.223 13.284 10.815 1.00 0.00 C ATOM 3 C GLN A 23 5.259 12.424 10.063 1.00 0.00 C ATOM 4 O GLN A 23 4.907 11.553 9.260 1.00 0.00 O ATOM 5 CB GLN A 23 4.275 13.069 12.340 1.00 0.00 C ATOM 6 CG GLN A 23 3.966 11.627 12.784 1.00 0.00 C ATOM 7 CD GLN A 23 3.941 11.499 14.307 1.00 0.00 C ATOM 8 OE1 GLN A 23 2.895 11.530 14.946 1.00 0.00 O ATOM 9 NE2 GLN A 23 5.080 11.361 14.956 1.00 0.00 N ATOM 0 HA GLN A 23 4.508 14.315 10.604 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.266 13.344 12.701 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.564 13.744 12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.003 11.319 12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.716 10.951 12.374 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.960 11.333 14.441 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.081 11.282 15.973 1.00 0.00 H new ATOM 18 N ILE A 24 6.550 12.674 10.317 1.00 0.00 N ATOM 19 CA ILE A 24 7.661 12.085 9.553 1.00 0.00 C ATOM 20 C ILE A 24 7.736 10.566 9.785 1.00 0.00 C ATOM 21 O ILE A 24 7.973 10.101 10.903 1.00 0.00 O ATOM 22 CB ILE A 24 9.011 12.783 9.867 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.931 14.326 9.967 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.071 12.386 8.820 1.00 0.00 C ATOM 25 CD1 ILE A 24 8.246 15.042 8.794 1.00 0.00 C ATOM 0 H ILE A 24 6.857 13.296 11.065 1.00 0.00 H new ATOM 0 HA ILE A 24 7.462 12.252 8.494 1.00 0.00 H new ATOM 0 HB ILE A 24 9.295 12.432 10.859 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.401 14.584 10.884 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.944 14.717 10.064 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.014 12.882 9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.215 11.306 8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.735 12.689 7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.248 16.117 8.973 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.785 14.826 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.218 14.691 8.704 1.00 0.00 H new ATOM 37 N ASN A 25 7.534 9.799 8.711 1.00 0.00 N ATOM 38 CA ASN A 25 7.713 8.342 8.650 1.00 0.00 C ATOM 39 C ASN A 25 9.044 7.992 7.951 1.00 0.00 C ATOM 40 O ASN A 25 9.783 8.889 7.546 1.00 0.00 O ATOM 41 CB ASN A 25 6.475 7.725 7.975 1.00 0.00 C ATOM 42 CG ASN A 25 5.312 7.537 8.941 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.017 6.432 9.375 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.618 8.587 9.322 1.00 0.00 N ATOM 0 H ASN A 25 7.228 10.191 7.820 1.00 0.00 H new ATOM 0 HA ASN A 25 7.788 7.914 9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.158 8.365 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.744 6.761 7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.841 8.476 9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.856 9.513 8.966 1.00 0.00 H new ATOM 51 N GLN A 26 9.379 6.703 7.814 1.00 0.00 N ATOM 52 CA GLN A 26 10.701 6.270 7.382 1.00 0.00 C ATOM 53 C GLN A 26 11.016 6.611 5.920 1.00 0.00 C ATOM 54 O GLN A 26 10.213 6.427 5.004 1.00 0.00 O ATOM 55 CB GLN A 26 10.883 4.774 7.704 1.00 0.00 C ATOM 56 CG GLN A 26 10.052 3.822 6.813 1.00 0.00 C ATOM 57 CD GLN A 26 10.743 3.369 5.520 1.00 0.00 C ATOM 58 OE1 GLN A 26 11.919 3.602 5.267 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.035 2.673 4.654 1.00 0.00 N ATOM 0 H GLN A 26 8.735 5.934 8.002 1.00 0.00 H new ATOM 0 HA GLN A 26 11.439 6.840 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.938 4.519 7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.613 4.604 8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.792 2.938 7.396 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.117 4.318 6.552 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.054 2.468 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.468 2.339 3.793 1.00 0.00 H new ATOM 68 N VAL A 27 12.228 7.125 5.744 1.00 0.00 N ATOM 69 CA VAL A 27 12.762 7.647 4.470 1.00 0.00 C ATOM 70 C VAL A 27 14.287 7.814 4.442 1.00 0.00 C ATOM 71 O VAL A 27 14.902 8.175 5.447 1.00 0.00 O ATOM 72 CB VAL A 27 12.107 9.014 4.133 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.122 9.992 5.313 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.799 9.737 2.963 1.00 0.00 C ATOM 0 H VAL A 27 12.900 7.197 6.508 1.00 0.00 H new ATOM 0 HA VAL A 27 12.512 6.892 3.725 1.00 0.00 H new ATOM 0 HB VAL A 27 11.083 8.750 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.651 10.929 5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.574 9.560 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.152 10.184 5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.297 10.686 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.843 9.923 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.747 9.115 2.069 1.00 0.00 H new ATOM 84 N ARG A 28 14.873 7.639 3.245 1.00 0.00 N ATOM 85 CA ARG A 28 16.252 8.038 2.917 1.00 0.00 C ATOM 86 C ARG A 28 16.435 8.109 1.379 1.00 0.00 C ATOM 87 O ARG A 28 16.349 7.063 0.735 1.00 0.00 O ATOM 88 CB ARG A 28 17.251 7.050 3.568 1.00 0.00 C ATOM 89 CG ARG A 28 18.710 7.527 3.589 1.00 0.00 C ATOM 90 CD ARG A 28 18.901 8.941 4.152 1.00 0.00 C ATOM 91 NE ARG A 28 18.197 9.148 5.438 1.00 0.00 N ATOM 92 CZ ARG A 28 18.456 10.081 6.337 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.307 11.041 6.120 1.00 0.00 N ATOM 94 NH2 ARG A 28 17.849 10.064 7.489 1.00 0.00 N ATOM 0 H ARG A 28 14.388 7.205 2.459 1.00 0.00 H new ATOM 0 HA ARG A 28 16.451 9.032 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.933 6.856 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.202 6.101 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.300 6.829 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.105 7.496 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.965 9.131 4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.540 9.668 3.425 1.00 0.00 H new ATOM 0 HE ARG A 28 17.435 8.505 5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.802 11.092 5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.479 11.742 6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.173 9.330 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.050 10.785 8.182 1.00 0.00 H new ATOM 108 N PRO A 29 16.619 9.298 0.769 1.00 0.00 N ATOM 109 CA PRO A 29 16.823 9.467 -0.676 1.00 0.00 C ATOM 110 C PRO A 29 18.311 9.417 -1.081 1.00 0.00 C ATOM 111 O PRO A 29 19.204 9.364 -0.232 1.00 0.00 O ATOM 112 CB PRO A 29 16.185 10.827 -0.991 1.00 0.00 C ATOM 113 CG PRO A 29 16.543 11.638 0.249 1.00 0.00 C ATOM 114 CD PRO A 29 16.433 10.612 1.376 1.00 0.00 C ATOM 0 HA PRO A 29 16.372 8.654 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.594 11.269 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.107 10.750 -1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.547 12.057 0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.859 12.474 0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.188 10.795 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.461 10.678 1.865 1.00 0.00 H new ATOM 122 N LYS A 30 18.568 9.490 -2.397 1.00 0.00 N ATOM 123 CA LYS A 30 19.910 9.678 -2.986 1.00 0.00 C ATOM 124 C LYS A 30 20.138 11.157 -3.309 1.00 0.00 C ATOM 125 O LYS A 30 19.191 11.850 -3.667 1.00 0.00 O ATOM 126 CB LYS A 30 20.076 8.767 -4.223 1.00 0.00 C ATOM 127 CG LYS A 30 21.414 8.009 -4.174 1.00 0.00 C ATOM 128 CD LYS A 30 21.741 7.103 -5.374 1.00 0.00 C ATOM 129 CE LYS A 30 21.921 7.875 -6.691 1.00 0.00 C ATOM 130 NZ LYS A 30 22.370 6.973 -7.791 1.00 0.00 N ATOM 0 H LYS A 30 17.833 9.419 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 30 20.675 9.385 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.252 8.055 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.028 9.368 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.216 8.741 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.425 7.396 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.653 6.545 -5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.942 6.372 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.980 8.350 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.651 8.672 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.483 7.523 -8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.280 6.540 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.661 6.227 -7.939 1.00 0.00 H new ATOM 144 N LEU A 31 21.376 11.643 -3.236 1.00 0.00 N ATOM 145 CA LEU A 31 21.706 13.082 -3.312 1.00 0.00 C ATOM 146 C LEU A 31 21.187 13.799 -4.580 1.00 0.00 C ATOM 147 O LEU A 31 20.480 14.797 -4.433 1.00 0.00 O ATOM 148 CB LEU A 31 23.220 13.253 -3.044 1.00 0.00 C ATOM 149 CG LEU A 31 23.709 14.696 -2.783 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.082 14.645 -2.109 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.873 15.537 -4.054 1.00 0.00 C ATOM 0 H LEU A 31 22.196 11.047 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 31 21.155 13.606 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.487 12.640 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.766 12.856 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 31 22.943 15.161 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.433 15.660 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.004 14.108 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.788 14.131 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.219 16.536 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.602 15.064 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.915 15.610 -4.568 1.00 0.00 H new ATOM 163 N PRO A 32 21.419 13.307 -5.815 1.00 0.00 N ATOM 164 CA PRO A 32 20.896 13.957 -7.027 1.00 0.00 C ATOM 165 C PRO A 32 19.365 13.869 -7.194 1.00 0.00 C ATOM 166 O PRO A 32 18.819 14.554 -8.056 1.00 0.00 O ATOM 167 CB PRO A 32 21.653 13.305 -8.189 1.00 0.00 C ATOM 168 CG PRO A 32 21.988 11.918 -7.649 1.00 0.00 C ATOM 169 CD PRO A 32 22.296 12.202 -6.186 1.00 0.00 C ATOM 0 HA PRO A 32 21.063 15.033 -6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.040 13.250 -9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.552 13.864 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.153 11.226 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.840 11.476 -8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.107 11.325 -5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.344 12.469 -6.049 1.00 0.00 H new ATOM 177 N LEU A 33 18.664 13.082 -6.364 1.00 0.00 N ATOM 178 CA LEU A 33 17.196 13.038 -6.285 1.00 0.00 C ATOM 179 C LEU A 33 16.696 13.967 -5.165 1.00 0.00 C ATOM 180 O LEU A 33 15.788 14.759 -5.392 1.00 0.00 O ATOM 181 CB LEU A 33 16.752 11.561 -6.168 1.00 0.00 C ATOM 182 CG LEU A 33 15.255 11.226 -6.355 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.418 11.541 -5.116 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.616 11.930 -7.552 1.00 0.00 C ATOM 0 H LEU A 33 19.115 12.441 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 33 16.730 13.426 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.315 10.986 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.052 11.201 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 33 15.251 10.151 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.376 11.285 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.786 10.959 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.495 12.604 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.565 11.648 -7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.694 13.010 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.132 11.635 -8.466 1.00 0.00 H new ATOM 196 N LEU A 34 17.353 13.972 -3.998 1.00 0.00 N ATOM 197 CA LEU A 34 17.146 14.956 -2.922 1.00 0.00 C ATOM 198 C LEU A 34 17.207 16.392 -3.458 1.00 0.00 C ATOM 199 O LEU A 34 16.346 17.208 -3.149 1.00 0.00 O ATOM 200 CB LEU A 34 18.212 14.725 -1.839 1.00 0.00 C ATOM 201 CG LEU A 34 18.186 15.682 -0.631 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.945 16.987 -0.867 1.00 0.00 C ATOM 203 CD2 LEU A 34 16.785 15.986 -0.120 1.00 0.00 C ATOM 0 H LEU A 34 18.062 13.275 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 34 16.152 14.822 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.106 13.705 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.194 14.794 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 34 18.710 15.124 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.883 17.610 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.990 16.766 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.504 17.517 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.847 16.665 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.201 16.451 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.302 15.060 0.191 1.00 0.00 H new ATOM 215 N LYS A 35 18.183 16.709 -4.313 1.00 0.00 N ATOM 216 CA LYS A 35 18.297 18.047 -4.923 1.00 0.00 C ATOM 217 C LYS A 35 17.073 18.442 -5.764 1.00 0.00 C ATOM 218 O LYS A 35 16.718 19.617 -5.763 1.00 0.00 O ATOM 219 CB LYS A 35 19.618 18.149 -5.704 1.00 0.00 C ATOM 220 CG LYS A 35 20.883 18.209 -4.821 1.00 0.00 C ATOM 221 CD LYS A 35 21.139 19.553 -4.104 1.00 0.00 C ATOM 222 CE LYS A 35 20.445 19.688 -2.736 1.00 0.00 C ATOM 223 NZ LYS A 35 20.765 20.983 -2.071 1.00 0.00 N ATOM 0 H LYS A 35 18.912 16.057 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 35 18.316 18.781 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.697 17.291 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.586 19.040 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.815 17.424 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.748 17.980 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.213 19.678 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.803 20.365 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.366 19.605 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.752 18.864 -2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.046 21.189 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.701 20.920 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.772 21.745 -2.779 1.00 0.00 H new ATOM 237 N ILE A 36 16.354 17.487 -6.365 1.00 0.00 N ATOM 238 CA ILE A 36 15.046 17.736 -7.009 1.00 0.00 C ATOM 239 C ILE A 36 14.004 18.134 -5.958 1.00 0.00 C ATOM 240 O ILE A 36 13.235 19.067 -6.164 1.00 0.00 O ATOM 241 CB ILE A 36 14.552 16.508 -7.806 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.631 15.929 -8.739 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.293 16.847 -8.622 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.377 16.941 -9.614 1.00 0.00 C ATOM 0 H ILE A 36 16.658 16.515 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 36 15.180 18.556 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 36 14.311 15.745 -7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.362 15.397 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.162 15.192 -9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.968 15.964 -9.173 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.498 17.168 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.520 17.650 -9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.111 16.420 -10.228 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.666 17.458 -10.259 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.885 17.667 -8.979 1.00 0.00 H new ATOM 256 N LEU A 37 14.016 17.461 -4.804 1.00 0.00 N ATOM 257 CA LEU A 37 13.074 17.676 -3.701 1.00 0.00 C ATOM 258 C LEU A 37 13.285 19.035 -3.020 1.00 0.00 C ATOM 259 O LEU A 37 12.326 19.785 -2.839 1.00 0.00 O ATOM 260 CB LEU A 37 13.097 16.453 -2.758 1.00 0.00 C ATOM 261 CG LEU A 37 12.758 15.129 -3.484 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.939 13.919 -2.577 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.322 15.105 -3.993 1.00 0.00 C ATOM 0 H LEU A 37 14.700 16.731 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 37 12.057 17.744 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.084 16.370 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.384 16.611 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 37 13.452 15.077 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.690 13.011 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.975 13.868 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.282 14.011 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.130 14.157 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.636 15.216 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.171 15.925 -4.695 1.00 0.00 H new ATOM 275 N HIS A 38 14.535 19.425 -2.750 1.00 0.00 N ATOM 276 CA HIS A 38 14.858 20.791 -2.306 1.00 0.00 C ATOM 277 C HIS A 38 14.450 21.831 -3.371 1.00 0.00 C ATOM 278 O HIS A 38 13.783 22.812 -3.048 1.00 0.00 O ATOM 279 CB HIS A 38 16.369 20.928 -2.059 1.00 0.00 C ATOM 280 CG HIS A 38 16.897 20.343 -0.774 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.157 20.632 -0.244 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.248 19.483 0.064 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.234 19.952 0.912 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.109 19.244 1.113 1.00 0.00 N ATOM 0 H HIS A 38 15.346 18.812 -2.831 1.00 0.00 H new ATOM 0 HA HIS A 38 14.305 20.974 -1.385 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.894 20.457 -2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.623 21.988 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.258 19.072 -0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.079 19.971 1.584 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.924 18.633 1.908 1.00 0.00 H new ATOM 292 N ALA A 39 14.801 21.613 -4.649 1.00 0.00 N ATOM 293 CA ALA A 39 14.513 22.554 -5.742 1.00 0.00 C ATOM 294 C ALA A 39 13.006 22.720 -6.027 1.00 0.00 C ATOM 295 O ALA A 39 12.566 23.803 -6.418 1.00 0.00 O ATOM 296 CB ALA A 39 15.265 22.100 -6.998 1.00 0.00 C ATOM 0 H ALA A 39 15.295 20.774 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 39 14.859 23.540 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.059 22.791 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.336 22.087 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.936 21.099 -7.277 1.00 0.00 H new ATOM 302 N ALA A 40 12.202 21.682 -5.770 1.00 0.00 N ATOM 303 CA ALA A 40 10.736 21.748 -5.786 1.00 0.00 C ATOM 304 C ALA A 40 10.138 22.672 -4.699 1.00 0.00 C ATOM 305 O ALA A 40 8.965 23.043 -4.790 1.00 0.00 O ATOM 306 CB ALA A 40 10.185 20.331 -5.607 1.00 0.00 C ATOM 0 H ALA A 40 12.559 20.754 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 40 10.445 22.179 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.095 20.360 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.538 19.698 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.529 19.924 -4.656 1.00 0.00 H new ATOM 312 N GLY A 41 10.927 23.026 -3.676 1.00 0.00 N ATOM 313 CA GLY A 41 10.557 23.918 -2.572 1.00 0.00 C ATOM 314 C GLY A 41 10.932 23.404 -1.173 1.00 0.00 C ATOM 315 O GLY A 41 10.716 24.128 -0.197 1.00 0.00 O ATOM 0 H GLY A 41 11.884 22.682 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.036 24.885 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.481 24.086 -2.605 1.00 0.00 H new ATOM 319 N ALA A 42 11.466 22.180 -1.044 1.00 0.00 N ATOM 320 CA ALA A 42 11.749 21.559 0.251 1.00 0.00 C ATOM 321 C ALA A 42 13.138 21.912 0.848 1.00 0.00 C ATOM 322 O ALA A 42 13.860 22.794 0.379 1.00 0.00 O ATOM 323 CB ALA A 42 11.496 20.048 0.128 1.00 0.00 C ATOM 0 H ALA A 42 11.713 21.594 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 42 11.066 21.981 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.701 19.566 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.456 19.875 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.151 19.631 -0.637 1.00 0.00 H new ATOM 329 N GLN A 43 13.473 21.197 1.922 1.00 0.00 N ATOM 330 CA GLN A 43 14.653 21.306 2.797 1.00 0.00 C ATOM 331 C GLN A 43 14.663 20.113 3.786 1.00 0.00 C ATOM 332 O GLN A 43 13.603 19.716 4.276 1.00 0.00 O ATOM 333 CB GLN A 43 14.608 22.644 3.570 1.00 0.00 C ATOM 334 CG GLN A 43 15.800 22.885 4.514 1.00 0.00 C ATOM 335 CD GLN A 43 17.149 22.831 3.797 1.00 0.00 C ATOM 336 OE1 GLN A 43 17.781 21.787 3.699 1.00 0.00 O ATOM 337 NE2 GLN A 43 17.628 23.928 3.247 1.00 0.00 N ATOM 0 H GLN A 43 12.862 20.445 2.239 1.00 0.00 H new ATOM 0 HA GLN A 43 15.562 21.282 2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.561 23.462 2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.688 22.680 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.687 23.858 4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.786 22.137 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.111 24.804 3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.516 23.902 2.746 1.00 0.00 H new ATOM 346 N GLY A 44 15.845 19.558 4.092 1.00 0.00 N ATOM 347 CA GLY A 44 16.033 18.328 4.885 1.00 0.00 C ATOM 348 C GLY A 44 15.624 17.063 4.118 1.00 0.00 C ATOM 349 O GLY A 44 14.521 16.983 3.593 1.00 0.00 O ATOM 0 H GLY A 44 16.728 19.965 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.079 18.247 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.447 18.398 5.802 1.00 0.00 H new ATOM 353 N GLU A 45 16.497 16.056 4.020 1.00 0.00 N ATOM 354 CA GLU A 45 16.332 14.883 3.141 1.00 0.00 C ATOM 355 C GLU A 45 15.380 13.785 3.645 1.00 0.00 C ATOM 356 O GLU A 45 15.642 12.595 3.486 1.00 0.00 O ATOM 357 CB GLU A 45 17.715 14.378 2.691 1.00 0.00 C ATOM 358 CG GLU A 45 18.565 13.774 3.820 1.00 0.00 C ATOM 359 CD GLU A 45 19.876 13.150 3.301 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.648 13.834 2.584 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.162 11.977 3.648 1.00 0.00 O ATOM 0 H GLU A 45 17.361 16.029 4.561 1.00 0.00 H new ATOM 0 HA GLU A 45 15.787 15.227 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.579 13.627 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.263 15.206 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.799 14.550 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.984 13.012 4.340 1.00 0.00 H new ATOM 368 N MET A 46 14.260 14.171 4.258 1.00 0.00 N ATOM 369 CA MET A 46 13.314 13.237 4.871 1.00 0.00 C ATOM 370 C MET A 46 11.845 13.568 4.517 1.00 0.00 C ATOM 371 O MET A 46 11.188 14.384 5.167 1.00 0.00 O ATOM 372 CB MET A 46 13.545 13.233 6.389 1.00 0.00 C ATOM 373 CG MET A 46 14.848 12.519 6.778 1.00 0.00 C ATOM 374 SD MET A 46 14.896 11.944 8.497 1.00 0.00 S ATOM 375 CE MET A 46 13.745 10.543 8.378 1.00 0.00 C ATOM 0 H MET A 46 13.982 15.149 4.344 1.00 0.00 H new ATOM 0 HA MET A 46 13.494 12.239 4.470 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.574 14.260 6.753 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.704 12.744 6.881 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.992 11.665 6.117 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.685 13.197 6.610 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.665 10.054 9.349 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.763 10.904 8.071 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.115 9.829 7.642 1.00 0.00 H new ATOM 385 N PHE A 47 11.334 12.882 3.490 1.00 0.00 N ATOM 386 CA PHE A 47 9.948 12.908 2.976 1.00 0.00 C ATOM 387 C PHE A 47 9.573 11.548 2.345 1.00 0.00 C ATOM 388 O PHE A 47 10.322 11.024 1.524 1.00 0.00 O ATOM 389 CB PHE A 47 9.758 14.042 1.939 1.00 0.00 C ATOM 390 CG PHE A 47 11.006 14.795 1.522 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.056 14.105 0.888 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.146 16.161 1.824 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.258 14.767 0.597 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.335 16.830 1.492 1.00 0.00 C ATOM 395 CZ PHE A 47 13.388 16.137 0.876 1.00 0.00 C ATOM 0 H PHE A 47 11.918 12.243 2.950 1.00 0.00 H new ATOM 0 HA PHE A 47 9.286 13.099 3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.303 13.614 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.046 14.760 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.936 13.064 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.342 16.694 2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.082 14.224 0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.439 17.882 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.298 16.657 0.617 1.00 0.00 H new ATOM 405 N THR A 48 8.425 10.961 2.694 1.00 0.00 N ATOM 406 CA THR A 48 8.015 9.612 2.218 1.00 0.00 C ATOM 407 C THR A 48 7.638 9.592 0.729 1.00 0.00 C ATOM 408 O THR A 48 7.491 10.646 0.124 1.00 0.00 O ATOM 409 CB THR A 48 6.878 9.006 3.067 1.00 0.00 C ATOM 410 OG1 THR A 48 5.859 9.929 3.369 1.00 0.00 O ATOM 411 CG2 THR A 48 7.400 8.387 4.365 1.00 0.00 C ATOM 0 H THR A 48 7.744 11.398 3.315 1.00 0.00 H new ATOM 0 HA THR A 48 8.899 8.986 2.342 1.00 0.00 H new ATOM 0 HB THR A 48 6.447 8.223 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.452 9.697 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.566 7.972 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.109 7.593 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.897 9.154 4.960 1.00 0.00 H new ATOM 419 N VAL A 49 7.448 8.418 0.097 1.00 0.00 N ATOM 420 CA VAL A 49 7.152 8.327 -1.364 1.00 0.00 C ATOM 421 C VAL A 49 5.967 9.198 -1.799 1.00 0.00 C ATOM 422 O VAL A 49 6.021 9.838 -2.846 1.00 0.00 O ATOM 423 CB VAL A 49 6.955 6.869 -1.835 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.729 6.162 -1.241 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.913 6.746 -3.362 1.00 0.00 C ATOM 0 H VAL A 49 7.492 7.514 0.567 1.00 0.00 H new ATOM 0 HA VAL A 49 8.039 8.725 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 49 7.838 6.360 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.672 5.145 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.817 6.132 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.826 6.706 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.773 5.701 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.086 7.339 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.850 7.110 -3.782 1.00 0.00 H new ATOM 435 N LYS A 50 4.942 9.300 -0.947 1.00 0.00 N ATOM 436 CA LYS A 50 3.769 10.165 -1.168 1.00 0.00 C ATOM 437 C LYS A 50 4.138 11.656 -1.268 1.00 0.00 C ATOM 438 O LYS A 50 3.554 12.394 -2.057 1.00 0.00 O ATOM 439 CB LYS A 50 2.723 9.869 -0.074 1.00 0.00 C ATOM 440 CG LYS A 50 3.017 10.541 1.281 1.00 0.00 C ATOM 441 CD LYS A 50 2.117 10.051 2.424 1.00 0.00 C ATOM 442 CE LYS A 50 2.568 8.684 2.962 1.00 0.00 C ATOM 443 NZ LYS A 50 1.676 8.208 4.055 1.00 0.00 N ATOM 0 H LYS A 50 4.899 8.779 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 50 3.332 9.933 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.745 10.197 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.664 8.791 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.058 10.360 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.899 11.619 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.128 10.781 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.088 9.981 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.572 7.956 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.591 8.756 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.008 7.283 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.692 8.892 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.705 8.116 3.695 1.00 0.00 H new ATOM 457 N GLU A 51 5.154 12.075 -0.512 1.00 0.00 N ATOM 458 CA GLU A 51 5.739 13.422 -0.536 1.00 0.00 C ATOM 459 C GLU A 51 6.716 13.583 -1.710 1.00 0.00 C ATOM 460 O GLU A 51 6.617 14.560 -2.447 1.00 0.00 O ATOM 461 CB GLU A 51 6.437 13.706 0.806 1.00 0.00 C ATOM 462 CG GLU A 51 5.477 13.672 2.003 1.00 0.00 C ATOM 463 CD GLU A 51 6.230 13.878 3.331 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.711 12.877 3.917 1.00 0.00 O ATOM 465 OE2 GLU A 51 6.332 15.039 3.798 1.00 0.00 O ATOM 0 H GLU A 51 5.612 11.462 0.162 1.00 0.00 H new ATOM 0 HA GLU A 51 4.939 14.148 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.227 12.971 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.916 14.684 0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.721 14.448 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.953 12.717 2.024 1.00 0.00 H new ATOM 472 N VAL A 52 7.603 12.604 -1.944 1.00 0.00 N ATOM 473 CA VAL A 52 8.550 12.579 -3.082 1.00 0.00 C ATOM 474 C VAL A 52 7.814 12.780 -4.406 1.00 0.00 C ATOM 475 O VAL A 52 8.185 13.650 -5.191 1.00 0.00 O ATOM 476 CB VAL A 52 9.348 11.254 -3.121 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.230 11.092 -4.368 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.266 11.120 -1.902 1.00 0.00 C ATOM 0 H VAL A 52 7.688 11.788 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 52 9.252 13.400 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 52 8.581 10.480 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.756 10.139 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.606 11.117 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.955 11.905 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.812 10.179 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.973 11.949 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.667 11.136 -0.992 1.00 0.00 H new ATOM 488 N MET A 53 6.738 12.025 -4.641 1.00 0.00 N ATOM 489 CA MET A 53 5.943 12.134 -5.866 1.00 0.00 C ATOM 490 C MET A 53 5.247 13.491 -5.980 1.00 0.00 C ATOM 491 O MET A 53 5.316 14.121 -7.033 1.00 0.00 O ATOM 492 CB MET A 53 4.941 10.972 -5.944 1.00 0.00 C ATOM 493 CG MET A 53 5.647 9.637 -6.202 1.00 0.00 C ATOM 494 SD MET A 53 6.784 9.587 -7.621 1.00 0.00 S ATOM 495 CE MET A 53 5.654 9.925 -9.000 1.00 0.00 C ATOM 0 H MET A 53 6.394 11.321 -3.988 1.00 0.00 H new ATOM 0 HA MET A 53 6.619 12.066 -6.718 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.378 10.913 -5.013 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.221 11.164 -6.740 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.206 9.367 -5.306 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.886 8.870 -6.346 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.231 10.154 -9.896 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.031 9.049 -9.183 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.020 10.776 -8.750 1.00 0.00 H new ATOM 505 N HIS A 54 4.655 13.992 -4.894 1.00 0.00 N ATOM 506 CA HIS A 54 4.048 15.332 -4.868 1.00 0.00 C ATOM 507 C HIS A 54 5.062 16.432 -5.232 1.00 0.00 C ATOM 508 O HIS A 54 4.796 17.253 -6.112 1.00 0.00 O ATOM 509 CB HIS A 54 3.412 15.576 -3.494 1.00 0.00 C ATOM 510 CG HIS A 54 2.570 16.827 -3.431 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.450 17.095 -4.225 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.762 17.870 -2.573 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.000 18.300 -3.833 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.769 18.787 -2.842 1.00 0.00 N ATOM 0 H HIS A 54 4.581 13.487 -4.011 1.00 0.00 H new ATOM 0 HA HIS A 54 3.269 15.376 -5.629 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.793 14.718 -3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.201 15.641 -2.744 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.540 17.960 -1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.143 18.805 -4.254 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.639 19.682 -2.370 1.00 0.00 H new ATOM 522 N TYR A 55 6.265 16.392 -4.649 1.00 0.00 N ATOM 523 CA TYR A 55 7.362 17.307 -4.983 1.00 0.00 C ATOM 524 C TYR A 55 7.886 17.136 -6.421 1.00 0.00 C ATOM 525 O TYR A 55 8.217 18.138 -7.052 1.00 0.00 O ATOM 526 CB TYR A 55 8.506 17.144 -3.972 1.00 0.00 C ATOM 527 CG TYR A 55 8.285 17.775 -2.606 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.082 19.166 -2.497 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.336 16.987 -1.438 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.902 19.763 -1.232 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.160 17.578 -0.172 1.00 0.00 C ATOM 532 CZ TYR A 55 7.937 18.967 -0.065 1.00 0.00 C ATOM 533 OH TYR A 55 7.770 19.531 1.164 1.00 0.00 O ATOM 0 H TYR A 55 6.507 15.716 -3.924 1.00 0.00 H new ATOM 0 HA TYR A 55 6.956 18.317 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.692 16.079 -3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.410 17.571 -4.405 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.064 19.778 -3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.511 15.924 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.738 20.828 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.196 16.967 0.718 1.00 0.00 H new ATOM 0 HH TYR A 55 7.822 18.836 1.853 1.00 0.00 H new ATOM 543 N LEU A 56 7.918 15.924 -6.990 1.00 0.00 N ATOM 544 CA LEU A 56 8.255 15.728 -8.411 1.00 0.00 C ATOM 545 C LEU A 56 7.200 16.364 -9.329 1.00 0.00 C ATOM 546 O LEU A 56 7.561 17.027 -10.299 1.00 0.00 O ATOM 547 CB LEU A 56 8.449 14.233 -8.748 1.00 0.00 C ATOM 548 CG LEU A 56 9.925 13.803 -8.824 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.616 13.848 -7.465 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.031 12.375 -9.358 1.00 0.00 C ATOM 0 H LEU A 56 7.714 15.060 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 56 9.204 16.234 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.943 13.631 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.968 14.019 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 56 10.418 14.510 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.655 13.536 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.582 14.865 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.106 13.176 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.080 12.082 -9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.496 11.697 -8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.593 12.326 -10.355 1.00 0.00 H new ATOM 562 N GLY A 57 5.912 16.230 -9.001 1.00 0.00 N ATOM 563 CA GLY A 57 4.821 16.883 -9.730 1.00 0.00 C ATOM 564 C GLY A 57 4.949 18.408 -9.708 1.00 0.00 C ATOM 565 O GLY A 57 4.936 19.049 -10.764 1.00 0.00 O ATOM 0 H GLY A 57 5.595 15.661 -8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.815 16.535 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.867 16.593 -9.291 1.00 0.00 H new ATOM 569 N GLN A 58 5.202 18.978 -8.520 1.00 0.00 N ATOM 570 CA GLN A 58 5.509 20.410 -8.362 1.00 0.00 C ATOM 571 C GLN A 58 6.685 20.817 -9.237 1.00 0.00 C ATOM 572 O GLN A 58 6.567 21.739 -10.030 1.00 0.00 O ATOM 573 CB GLN A 58 5.910 20.748 -6.916 1.00 0.00 C ATOM 574 CG GLN A 58 4.752 20.691 -5.931 1.00 0.00 C ATOM 575 CD GLN A 58 5.208 20.865 -4.479 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.761 20.177 -3.573 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.105 21.785 -4.180 1.00 0.00 N ATOM 0 H GLN A 58 5.200 18.460 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 58 4.601 20.943 -8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.686 20.054 -6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.346 21.747 -6.893 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.031 21.470 -6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.238 19.736 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.496 22.374 -4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.408 21.907 -3.214 1.00 0.00 H new ATOM 586 N TYR A 59 7.800 20.104 -9.123 1.00 0.00 N ATOM 587 CA TYR A 59 9.036 20.403 -9.856 1.00 0.00 C ATOM 588 C TYR A 59 8.839 20.381 -11.374 1.00 0.00 C ATOM 589 O TYR A 59 9.246 21.319 -12.055 1.00 0.00 O ATOM 590 CB TYR A 59 10.113 19.415 -9.417 1.00 0.00 C ATOM 591 CG TYR A 59 11.456 19.566 -10.107 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.714 18.859 -11.298 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.455 20.386 -9.547 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.968 18.969 -11.929 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.712 20.496 -10.176 1.00 0.00 C ATOM 596 CZ TYR A 59 13.972 19.788 -11.370 1.00 0.00 C ATOM 597 OH TYR A 59 15.187 19.891 -11.968 1.00 0.00 O ATOM 0 H TYR A 59 7.877 19.291 -8.512 1.00 0.00 H new ATOM 0 HA TYR A 59 9.347 21.420 -9.616 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.262 19.520 -8.342 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.746 18.403 -9.591 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.948 18.231 -11.728 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.258 20.931 -8.635 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.162 18.426 -12.842 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.478 21.123 -9.744 1.00 0.00 H new ATOM 0 HH TYR A 59 15.152 19.475 -12.855 1.00 0.00 H new ATOM 607 N ILE A 60 8.147 19.371 -11.907 1.00 0.00 N ATOM 608 CA ILE A 60 7.844 19.257 -13.340 1.00 0.00 C ATOM 609 C ILE A 60 6.960 20.431 -13.793 1.00 0.00 C ATOM 610 O ILE A 60 7.275 21.082 -14.793 1.00 0.00 O ATOM 611 CB ILE A 60 7.252 17.852 -13.626 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.359 16.785 -13.436 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.649 17.697 -15.036 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.826 15.351 -13.367 1.00 0.00 C ATOM 0 H ILE A 60 7.776 18.600 -11.352 1.00 0.00 H new ATOM 0 HA ILE A 60 8.751 19.335 -13.940 1.00 0.00 H new ATOM 0 HB ILE A 60 6.433 17.717 -12.920 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.069 16.860 -14.260 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.909 17.003 -12.520 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.257 16.687 -15.155 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.842 18.417 -15.168 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.421 17.877 -15.784 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.658 14.660 -13.233 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.139 15.258 -12.526 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.301 15.113 -14.292 1.00 0.00 H new ATOM 626 N MET A 61 5.923 20.783 -13.023 1.00 0.00 N ATOM 627 CA MET A 61 5.076 21.952 -13.316 1.00 0.00 C ATOM 628 C MET A 61 5.805 23.300 -13.151 1.00 0.00 C ATOM 629 O MET A 61 5.545 24.226 -13.921 1.00 0.00 O ATOM 630 CB MET A 61 3.811 21.915 -12.443 1.00 0.00 C ATOM 631 CG MET A 61 2.874 20.733 -12.739 1.00 0.00 C ATOM 632 SD MET A 61 2.124 20.695 -14.394 1.00 0.00 S ATOM 633 CE MET A 61 3.290 19.623 -15.278 1.00 0.00 C ATOM 0 H MET A 61 5.647 20.272 -12.185 1.00 0.00 H new ATOM 0 HA MET A 61 4.805 21.883 -14.369 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.108 21.875 -11.395 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.260 22.845 -12.583 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.434 19.809 -12.596 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.073 20.738 -12.000 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.892 19.389 -16.265 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.246 20.135 -15.384 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.433 18.700 -14.716 1.00 0.00 H new ATOM 643 N VAL A 62 6.741 23.425 -12.201 1.00 0.00 N ATOM 644 CA VAL A 62 7.475 24.662 -11.904 1.00 0.00 C ATOM 645 C VAL A 62 8.591 24.921 -12.915 1.00 0.00 C ATOM 646 O VAL A 62 8.746 26.046 -13.395 1.00 0.00 O ATOM 647 CB VAL A 62 7.991 24.575 -10.451 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.175 25.477 -10.127 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.856 24.904 -9.474 1.00 0.00 C ATOM 0 H VAL A 62 7.016 22.647 -11.601 1.00 0.00 H new ATOM 0 HA VAL A 62 6.810 25.521 -11.995 1.00 0.00 H new ATOM 0 HB VAL A 62 8.344 23.549 -10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.461 25.342 -9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.016 25.218 -10.770 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.896 26.517 -10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.227 24.841 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.492 25.913 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.042 24.192 -9.609 1.00 0.00 H new ATOM 659 N LYS A 63 9.336 23.873 -13.277 1.00 0.00 N ATOM 660 CA LYS A 63 10.399 23.914 -14.291 1.00 0.00 C ATOM 661 C LYS A 63 9.864 23.733 -15.726 1.00 0.00 C ATOM 662 O LYS A 63 10.593 24.027 -16.673 1.00 0.00 O ATOM 663 CB LYS A 63 11.505 22.907 -13.912 1.00 0.00 C ATOM 664 CG LYS A 63 12.189 23.154 -12.555 1.00 0.00 C ATOM 665 CD LYS A 63 12.920 24.503 -12.475 1.00 0.00 C ATOM 666 CE LYS A 63 13.712 24.601 -11.164 1.00 0.00 C ATOM 667 NZ LYS A 63 14.456 25.889 -11.068 1.00 0.00 N ATOM 0 H LYS A 63 9.215 22.948 -12.864 1.00 0.00 H new ATOM 0 HA LYS A 63 10.840 24.911 -14.297 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.074 21.906 -13.905 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.267 22.920 -14.691 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.439 23.108 -11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.902 22.351 -12.365 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.595 24.610 -13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.200 25.319 -12.535 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.030 24.510 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.413 23.769 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.980 25.921 -10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.124 25.964 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.784 26.682 -11.105 1.00 0.00 H new ATOM 681 N GLN A 64 8.596 23.322 -15.896 1.00 0.00 N ATOM 682 CA GLN A 64 7.888 23.218 -17.187 1.00 0.00 C ATOM 683 C GLN A 64 8.431 22.092 -18.080 1.00 0.00 C ATOM 684 O GLN A 64 8.742 22.265 -19.260 1.00 0.00 O ATOM 685 CB GLN A 64 7.721 24.585 -17.879 1.00 0.00 C ATOM 686 CG GLN A 64 7.132 25.627 -16.915 1.00 0.00 C ATOM 687 CD GLN A 64 6.810 26.974 -17.567 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.014 27.215 -18.752 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.289 27.919 -16.811 1.00 0.00 N ATOM 0 H GLN A 64 8.012 23.042 -15.108 1.00 0.00 H new ATOM 0 HA GLN A 64 6.868 22.902 -16.968 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.688 24.930 -18.246 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.070 24.479 -18.747 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.221 25.223 -16.473 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.836 25.790 -16.099 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.111 27.741 -15.823 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.064 28.829 -17.214 1.00 0.00 H new ATOM 698 N LEU A 65 8.523 20.908 -17.471 1.00 0.00 N ATOM 699 CA LEU A 65 9.049 19.660 -18.036 1.00 0.00 C ATOM 700 C LEU A 65 7.934 18.825 -18.688 1.00 0.00 C ATOM 701 O LEU A 65 7.875 17.615 -18.512 1.00 0.00 O ATOM 702 CB LEU A 65 9.788 18.909 -16.907 1.00 0.00 C ATOM 703 CG LEU A 65 11.242 19.330 -16.635 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.506 20.824 -16.649 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.655 18.774 -15.273 1.00 0.00 C ATOM 0 H LEU A 65 8.212 20.786 -16.507 1.00 0.00 H new ATOM 0 HA LEU A 65 9.753 19.868 -18.842 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.219 19.034 -15.986 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.780 17.845 -17.144 1.00 0.00 H new ATOM 0 HG LEU A 65 11.828 18.924 -17.460 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.561 21.009 -16.446 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.248 21.230 -17.627 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.899 21.308 -15.884 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.685 19.061 -15.060 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.999 19.177 -14.501 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.577 17.687 -15.285 1.00 0.00 H new ATOM 717 N TYR A 66 6.997 19.450 -19.394 1.00 0.00 N ATOM 718 CA TYR A 66 5.854 18.768 -20.019 1.00 0.00 C ATOM 719 C TYR A 66 5.416 19.446 -21.337 1.00 0.00 C ATOM 720 O TYR A 66 5.859 20.555 -21.650 1.00 0.00 O ATOM 721 CB TYR A 66 4.692 18.732 -19.008 1.00 0.00 C ATOM 722 CG TYR A 66 4.061 20.085 -18.707 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.691 20.996 -17.834 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.825 20.425 -19.292 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.090 22.240 -17.549 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.226 21.669 -19.020 1.00 0.00 C ATOM 727 CZ TYR A 66 2.856 22.581 -18.148 1.00 0.00 C ATOM 728 OH TYR A 66 2.264 23.781 -17.887 1.00 0.00 O ATOM 0 H TYR A 66 7.004 20.457 -19.554 1.00 0.00 H new ATOM 0 HA TYR A 66 6.154 17.754 -20.283 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.919 18.064 -19.388 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.055 18.301 -18.075 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.638 20.740 -17.382 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.334 19.726 -19.953 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.572 22.931 -16.874 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.283 21.926 -19.479 1.00 0.00 H new ATOM 0 HH TYR A 66 1.423 23.846 -18.385 1.00 0.00 H new ATOM 738 N ASP A 67 4.537 18.797 -22.111 1.00 0.00 N ATOM 739 CA ASP A 67 3.932 19.369 -23.328 1.00 0.00 C ATOM 740 C ASP A 67 2.547 19.986 -23.057 1.00 0.00 C ATOM 741 O ASP A 67 1.732 19.403 -22.342 1.00 0.00 O ATOM 742 CB ASP A 67 3.821 18.295 -24.413 1.00 0.00 C ATOM 743 CG ASP A 67 3.303 18.887 -25.729 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.126 19.360 -26.549 1.00 0.00 O ATOM 745 OD2 ASP A 67 2.066 18.919 -25.916 1.00 0.00 O ATOM 0 H ASP A 67 4.220 17.849 -21.910 1.00 0.00 H new ATOM 0 HA ASP A 67 4.586 20.172 -23.669 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.797 17.837 -24.576 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.150 17.504 -24.078 1.00 0.00 H new ATOM 750 N GLN A 68 2.243 21.141 -23.660 1.00 0.00 N ATOM 751 CA GLN A 68 1.004 21.876 -23.394 1.00 0.00 C ATOM 752 C GLN A 68 -0.287 21.211 -23.913 1.00 0.00 C ATOM 753 O GLN A 68 -1.368 21.528 -23.411 1.00 0.00 O ATOM 754 CB GLN A 68 1.160 23.319 -23.902 1.00 0.00 C ATOM 755 CG GLN A 68 1.169 23.452 -25.438 1.00 0.00 C ATOM 756 CD GLN A 68 1.349 24.891 -25.932 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.463 25.853 -25.180 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.379 25.103 -27.233 1.00 0.00 N ATOM 0 H GLN A 68 2.849 21.591 -24.346 1.00 0.00 H new ATOM 0 HA GLN A 68 0.864 21.869 -22.313 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.346 23.923 -23.501 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.088 23.733 -23.507 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.972 22.836 -25.842 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.234 23.056 -25.833 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.286 24.320 -27.880 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.495 26.050 -27.593 1.00 0.00 H new ATOM 767 N GLN A 69 -0.194 20.283 -24.871 1.00 0.00 N ATOM 768 CA GLN A 69 -1.310 19.461 -25.354 1.00 0.00 C ATOM 769 C GLN A 69 -1.252 18.036 -24.775 1.00 0.00 C ATOM 770 O GLN A 69 -2.296 17.471 -24.445 1.00 0.00 O ATOM 771 CB GLN A 69 -1.302 19.469 -26.894 1.00 0.00 C ATOM 772 CG GLN A 69 -2.404 18.624 -27.560 1.00 0.00 C ATOM 773 CD GLN A 69 -3.823 19.079 -27.216 1.00 0.00 C ATOM 774 OE1 GLN A 69 -4.442 19.871 -27.918 1.00 0.00 O ATOM 775 NE2 GLN A 69 -4.397 18.605 -26.128 1.00 0.00 N ATOM 0 H GLN A 69 0.685 20.077 -25.346 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.253 19.884 -25.008 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.399 20.499 -27.237 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.332 19.109 -27.238 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.273 18.660 -28.641 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.283 17.583 -27.259 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.896 17.945 -25.533 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.342 18.898 -25.881 1.00 0.00 H new ATOM 784 N GLU A 70 -0.055 17.472 -24.592 1.00 0.00 N ATOM 785 CA GLU A 70 0.161 16.139 -24.009 1.00 0.00 C ATOM 786 C GLU A 70 0.575 16.278 -22.532 1.00 0.00 C ATOM 787 O GLU A 70 1.663 15.873 -22.131 1.00 0.00 O ATOM 788 CB GLU A 70 1.150 15.310 -24.857 1.00 0.00 C ATOM 789 CG GLU A 70 0.718 15.074 -26.313 1.00 0.00 C ATOM 790 CD GLU A 70 -0.497 14.132 -26.416 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.314 12.892 -26.349 1.00 0.00 O ATOM 792 OE2 GLU A 70 -1.643 14.618 -26.580 1.00 0.00 O ATOM 0 H GLU A 70 0.814 17.939 -24.851 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.772 15.576 -24.025 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.116 15.815 -24.858 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.296 14.343 -24.376 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.475 16.030 -26.777 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.552 14.651 -26.873 1.00 0.00 H new ATOM 799 N GLN A 71 -0.286 16.892 -21.711 1.00 0.00 N ATOM 800 CA GLN A 71 0.049 17.294 -20.331 1.00 0.00 C ATOM 801 C GLN A 71 0.308 16.101 -19.385 1.00 0.00 C ATOM 802 O GLN A 71 1.009 16.237 -18.381 1.00 0.00 O ATOM 803 CB GLN A 71 -1.059 18.207 -19.776 1.00 0.00 C ATOM 804 CG GLN A 71 -1.215 19.506 -20.592 1.00 0.00 C ATOM 805 CD GLN A 71 -2.304 20.446 -20.069 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.849 20.306 -18.980 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.665 21.456 -20.834 1.00 0.00 N ATOM 0 H GLN A 71 -1.241 17.127 -21.983 1.00 0.00 H new ATOM 0 HA GLN A 71 0.991 17.840 -20.377 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.005 17.666 -19.775 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.834 18.457 -18.739 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.263 20.037 -20.595 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.440 19.248 -21.627 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.224 21.590 -21.744 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.386 22.104 -20.517 1.00 0.00 H new ATOM 816 N HIS A 72 -0.207 14.920 -19.742 1.00 0.00 N ATOM 817 CA HIS A 72 0.062 13.624 -19.103 1.00 0.00 C ATOM 818 C HIS A 72 1.446 13.037 -19.447 1.00 0.00 C ATOM 819 O HIS A 72 1.871 12.055 -18.833 1.00 0.00 O ATOM 820 CB HIS A 72 -1.050 12.662 -19.544 1.00 0.00 C ATOM 821 CG HIS A 72 -1.093 12.460 -21.042 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.772 13.282 -21.948 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.416 11.499 -21.736 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.508 12.779 -23.166 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.691 11.716 -23.069 1.00 0.00 N ATOM 0 H HIS A 72 -0.856 14.836 -20.524 1.00 0.00 H new ATOM 0 HA HIS A 72 0.073 13.768 -18.023 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.904 11.698 -19.056 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.012 13.048 -19.207 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.211 10.723 -21.323 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.898 13.174 -24.093 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.335 11.164 -23.849 1.00 0.00 H new ATOM 833 N MET A 73 2.143 13.620 -20.426 1.00 0.00 N ATOM 834 CA MET A 73 3.463 13.219 -20.906 1.00 0.00 C ATOM 835 C MET A 73 4.528 14.221 -20.435 1.00 0.00 C ATOM 836 O MET A 73 4.411 15.434 -20.631 1.00 0.00 O ATOM 837 CB MET A 73 3.428 13.102 -22.438 1.00 0.00 C ATOM 838 CG MET A 73 4.647 12.389 -22.983 1.00 0.00 C ATOM 839 SD MET A 73 4.649 10.623 -22.628 1.00 0.00 S ATOM 840 CE MET A 73 6.346 10.387 -23.144 1.00 0.00 C ATOM 0 H MET A 73 1.779 14.428 -20.931 1.00 0.00 H new ATOM 0 HA MET A 73 3.730 12.246 -20.493 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.529 12.564 -22.740 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.365 14.098 -22.876 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.695 12.537 -24.062 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.544 12.840 -22.559 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.502 9.343 -23.416 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.556 11.022 -24.005 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.015 10.652 -22.326 1.00 0.00 H new ATOM 850 N VAL A 74 5.589 13.708 -19.814 1.00 0.00 N ATOM 851 CA VAL A 74 6.711 14.496 -19.296 1.00 0.00 C ATOM 852 C VAL A 74 7.779 14.591 -20.382 1.00 0.00 C ATOM 853 O VAL A 74 8.059 13.620 -21.082 1.00 0.00 O ATOM 854 CB VAL A 74 7.230 13.897 -17.972 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.396 14.688 -17.363 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.099 13.908 -16.934 1.00 0.00 C ATOM 0 H VAL A 74 5.697 12.707 -19.652 1.00 0.00 H new ATOM 0 HA VAL A 74 6.393 15.510 -19.053 1.00 0.00 H new ATOM 0 HB VAL A 74 7.576 12.891 -18.209 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.712 14.213 -16.434 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.230 14.705 -18.064 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.075 15.709 -17.157 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.461 13.486 -15.997 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.769 14.933 -16.766 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.263 13.313 -17.301 1.00 0.00 H new ATOM 866 N TYR A 75 8.369 15.775 -20.505 1.00 0.00 N ATOM 867 CA TYR A 75 9.381 16.172 -21.480 1.00 0.00 C ATOM 868 C TYR A 75 10.488 16.953 -20.763 1.00 0.00 C ATOM 869 O TYR A 75 10.601 18.176 -20.835 1.00 0.00 O ATOM 870 CB TYR A 75 8.719 16.941 -22.630 1.00 0.00 C ATOM 871 CG TYR A 75 8.048 15.992 -23.596 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.853 15.117 -24.348 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.646 15.926 -23.695 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.261 14.177 -25.206 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.050 15.008 -24.581 1.00 0.00 C ATOM 876 CZ TYR A 75 6.855 14.128 -25.338 1.00 0.00 C ATOM 877 OH TYR A 75 6.269 13.232 -26.182 1.00 0.00 O ATOM 0 H TYR A 75 8.134 16.543 -19.876 1.00 0.00 H new ATOM 0 HA TYR A 75 9.855 15.302 -21.934 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.984 17.640 -22.230 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.468 17.533 -23.156 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.929 15.169 -24.265 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.029 16.577 -23.094 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.880 13.491 -25.765 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.975 14.977 -24.682 1.00 0.00 H new ATOM 0 HH TYR A 75 5.295 13.337 -26.146 1.00 0.00 H new ATOM 887 N CYS A 76 11.302 16.194 -20.037 1.00 0.00 N ATOM 888 CA CYS A 76 12.497 16.632 -19.300 1.00 0.00 C ATOM 889 C CYS A 76 13.794 16.519 -20.140 1.00 0.00 C ATOM 890 O CYS A 76 14.850 16.142 -19.629 1.00 0.00 O ATOM 891 CB CYS A 76 12.526 15.946 -17.915 1.00 0.00 C ATOM 892 SG CYS A 76 12.397 14.134 -17.992 1.00 0.00 S ATOM 0 H CYS A 76 11.140 15.192 -19.937 1.00 0.00 H new ATOM 0 HA CYS A 76 12.440 17.703 -19.106 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.452 16.214 -17.406 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.706 16.334 -17.310 1.00 0.00 H new ATOM 0 HG CYS A 76 12.432 13.645 -16.788 1.00 0.00 H new ATOM 898 N GLY A 77 13.698 16.888 -21.428 1.00 0.00 N ATOM 899 CA GLY A 77 14.671 16.707 -22.525 1.00 0.00 C ATOM 900 C GLY A 77 16.156 16.955 -22.223 1.00 0.00 C ATOM 901 O GLY A 77 17.014 16.272 -22.789 1.00 0.00 O ATOM 0 H GLY A 77 12.860 17.365 -21.762 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.572 15.686 -22.894 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.381 17.370 -23.340 1.00 0.00 H new ATOM 905 N GLY A 78 16.465 17.894 -21.325 1.00 0.00 N ATOM 906 CA GLY A 78 17.825 18.179 -20.847 1.00 0.00 C ATOM 907 C GLY A 78 17.908 18.482 -19.346 1.00 0.00 C ATOM 908 O GLY A 78 18.850 19.152 -18.917 1.00 0.00 O ATOM 0 H GLY A 78 15.759 18.494 -20.898 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.464 17.325 -21.071 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.223 19.029 -21.401 1.00 0.00 H new ATOM 912 N ASP A 79 16.922 18.053 -18.547 1.00 0.00 N ATOM 913 CA ASP A 79 16.864 18.382 -17.113 1.00 0.00 C ATOM 914 C ASP A 79 17.631 17.381 -16.236 1.00 0.00 C ATOM 915 O ASP A 79 17.690 16.190 -16.545 1.00 0.00 O ATOM 916 CB ASP A 79 15.412 18.507 -16.641 1.00 0.00 C ATOM 917 CG ASP A 79 15.363 19.245 -15.295 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.408 20.496 -15.295 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.335 18.561 -14.245 1.00 0.00 O ATOM 0 H ASP A 79 16.148 17.473 -18.871 1.00 0.00 H new ATOM 0 HA ASP A 79 17.361 19.345 -16.998 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.824 19.047 -17.383 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.967 17.517 -16.540 1.00 0.00 H new ATOM 924 N LEU A 80 18.145 17.851 -15.093 1.00 0.00 N ATOM 925 CA LEU A 80 18.802 17.026 -14.073 1.00 0.00 C ATOM 926 C LEU A 80 17.915 15.840 -13.644 1.00 0.00 C ATOM 927 O LEU A 80 18.415 14.723 -13.532 1.00 0.00 O ATOM 928 CB LEU A 80 19.166 17.943 -12.881 1.00 0.00 C ATOM 929 CG LEU A 80 20.378 17.546 -12.012 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.268 16.177 -11.342 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.688 17.589 -12.801 1.00 0.00 C ATOM 0 H LEU A 80 18.115 18.840 -14.846 1.00 0.00 H new ATOM 0 HA LEU A 80 19.710 16.581 -14.480 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.348 18.944 -13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.294 18.008 -12.230 1.00 0.00 H new ATOM 0 HG LEU A 80 20.379 18.298 -11.223 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.166 15.987 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.396 16.161 -10.689 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.164 15.406 -12.105 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.514 17.302 -12.150 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.630 16.896 -13.640 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.854 18.599 -13.175 1.00 0.00 H new ATOM 943 N LEU A 81 16.596 16.037 -13.499 1.00 0.00 N ATOM 944 CA LEU A 81 15.651 14.954 -13.201 1.00 0.00 C ATOM 945 C LEU A 81 15.619 13.896 -14.320 1.00 0.00 C ATOM 946 O LEU A 81 15.698 12.708 -14.023 1.00 0.00 O ATOM 947 CB LEU A 81 14.259 15.559 -12.922 1.00 0.00 C ATOM 948 CG LEU A 81 13.119 14.541 -12.707 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.373 13.565 -11.556 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.815 15.282 -12.409 1.00 0.00 C ATOM 0 H LEU A 81 16.156 16.953 -13.585 1.00 0.00 H new ATOM 0 HA LEU A 81 15.984 14.426 -12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.329 16.191 -12.037 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.991 16.207 -13.756 1.00 0.00 H new ATOM 0 HG LEU A 81 13.060 13.963 -13.629 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.529 12.881 -11.466 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.281 12.996 -11.755 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.490 14.122 -10.626 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.013 14.560 -12.258 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.936 15.884 -11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.565 15.931 -13.248 1.00 0.00 H new ATOM 962 N GLY A 82 15.549 14.298 -15.594 1.00 0.00 N ATOM 963 CA GLY A 82 15.540 13.366 -16.733 1.00 0.00 C ATOM 964 C GLY A 82 16.855 12.592 -16.892 1.00 0.00 C ATOM 965 O GLY A 82 16.857 11.385 -17.146 1.00 0.00 O ATOM 0 H GLY A 82 15.497 15.279 -15.867 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.722 12.657 -16.607 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.341 13.923 -17.648 1.00 0.00 H new ATOM 969 N GLU A 83 17.987 13.269 -16.704 1.00 0.00 N ATOM 970 CA GLU A 83 19.332 12.672 -16.723 1.00 0.00 C ATOM 971 C GLU A 83 19.502 11.639 -15.602 1.00 0.00 C ATOM 972 O GLU A 83 19.936 10.511 -15.843 1.00 0.00 O ATOM 973 CB GLU A 83 20.380 13.773 -16.514 1.00 0.00 C ATOM 974 CG GLU A 83 20.429 14.810 -17.635 1.00 0.00 C ATOM 975 CD GLU A 83 21.433 14.417 -18.735 1.00 0.00 C ATOM 976 OE1 GLU A 83 21.113 13.535 -19.569 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.554 14.984 -18.776 1.00 0.00 O ATOM 0 H GLU A 83 18.000 14.274 -16.529 1.00 0.00 H new ATOM 0 HA GLU A 83 19.463 12.180 -17.686 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.174 14.282 -15.572 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.362 13.311 -16.418 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.436 14.920 -18.072 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.705 15.780 -17.221 1.00 0.00 H new ATOM 984 N LEU A 84 19.118 12.025 -14.381 1.00 0.00 N ATOM 985 CA LEU A 84 19.160 11.169 -13.189 1.00 0.00 C ATOM 986 C LEU A 84 18.220 9.958 -13.315 1.00 0.00 C ATOM 987 O LEU A 84 18.642 8.827 -13.057 1.00 0.00 O ATOM 988 CB LEU A 84 18.876 12.044 -11.948 1.00 0.00 C ATOM 989 CG LEU A 84 18.913 11.388 -10.552 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.639 10.620 -10.212 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.114 10.463 -10.346 1.00 0.00 C ATOM 0 H LEU A 84 18.762 12.961 -14.189 1.00 0.00 H new ATOM 0 HA LEU A 84 20.153 10.732 -13.080 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.598 12.861 -11.948 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.890 12.490 -12.077 1.00 0.00 H new ATOM 0 HG LEU A 84 19.005 12.235 -9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.732 10.184 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.788 11.300 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.486 9.826 -10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.077 10.036 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.086 9.661 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 84 21.036 11.032 -10.464 1.00 0.00 H new ATOM 1003 N LEU A 85 16.971 10.160 -13.756 1.00 0.00 N ATOM 1004 CA LEU A 85 16.017 9.061 -13.952 1.00 0.00 C ATOM 1005 C LEU A 85 16.408 8.155 -15.131 1.00 0.00 C ATOM 1006 O LEU A 85 16.078 6.969 -15.141 1.00 0.00 O ATOM 1007 CB LEU A 85 14.575 9.608 -14.001 1.00 0.00 C ATOM 1008 CG LEU A 85 13.924 9.919 -15.356 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.175 8.699 -15.901 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.876 11.021 -15.204 1.00 0.00 C ATOM 0 H LEU A 85 16.596 11.081 -13.985 1.00 0.00 H new ATOM 0 HA LEU A 85 16.057 8.395 -13.090 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.936 8.887 -13.491 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.555 10.525 -13.412 1.00 0.00 H new ATOM 0 HG LEU A 85 14.729 10.217 -16.028 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.724 8.948 -16.861 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.873 7.872 -16.032 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.394 8.407 -15.198 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.424 11.230 -16.174 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.104 10.696 -14.506 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.351 11.925 -14.823 1.00 0.00 H new ATOM 1022 N GLY A 86 17.147 8.702 -16.101 1.00 0.00 N ATOM 1023 CA GLY A 86 17.709 7.961 -17.235 1.00 0.00 C ATOM 1024 C GLY A 86 16.780 7.893 -18.450 1.00 0.00 C ATOM 1025 O GLY A 86 17.159 7.330 -19.479 1.00 0.00 O ATOM 0 H GLY A 86 17.377 9.696 -16.120 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.648 8.428 -17.533 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.946 6.947 -16.913 1.00 0.00 H new ATOM 1029 N ARG A 87 15.588 8.500 -18.354 1.00 0.00 N ATOM 1030 CA ARG A 87 14.655 8.728 -19.472 1.00 0.00 C ATOM 1031 C ARG A 87 14.264 10.202 -19.472 1.00 0.00 C ATOM 1032 O ARG A 87 13.799 10.712 -18.460 1.00 0.00 O ATOM 1033 CB ARG A 87 13.414 7.810 -19.352 1.00 0.00 C ATOM 1034 CG ARG A 87 13.195 6.885 -20.559 1.00 0.00 C ATOM 1035 CD ARG A 87 14.208 5.735 -20.591 1.00 0.00 C ATOM 1036 NE ARG A 87 13.942 4.821 -21.721 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.719 3.839 -22.146 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.862 3.564 -21.583 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.356 3.105 -23.159 1.00 0.00 N ATOM 0 H ARG A 87 15.233 8.858 -17.467 1.00 0.00 H new ATOM 0 HA ARG A 87 15.136 8.480 -20.418 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.513 7.200 -18.454 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.528 8.431 -19.219 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.185 6.478 -20.525 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.274 7.464 -21.479 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.217 6.138 -20.675 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.163 5.181 -19.653 1.00 0.00 H new ATOM 0 HE ARG A 87 13.067 4.962 -22.226 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.184 4.114 -20.787 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.435 2.798 -21.939 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.469 3.286 -23.628 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.959 2.349 -23.483 1.00 0.00 H new ATOM 1053 N GLN A 88 14.429 10.891 -20.598 1.00 0.00 N ATOM 1054 CA GLN A 88 14.096 12.319 -20.704 1.00 0.00 C ATOM 1055 C GLN A 88 12.624 12.558 -21.115 1.00 0.00 C ATOM 1056 O GLN A 88 12.188 13.700 -21.268 1.00 0.00 O ATOM 1057 CB GLN A 88 15.142 13.046 -21.561 1.00 0.00 C ATOM 1058 CG GLN A 88 16.552 13.073 -20.929 1.00 0.00 C ATOM 1059 CD GLN A 88 17.324 11.759 -21.077 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.679 11.341 -22.171 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.599 11.034 -20.009 1.00 0.00 N ATOM 0 H GLN A 88 14.794 10.484 -21.459 1.00 0.00 H new ATOM 0 HA GLN A 88 14.154 12.771 -19.714 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.200 12.562 -22.536 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.810 14.070 -21.732 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.129 13.876 -21.387 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.460 13.311 -19.869 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.315 11.359 -19.085 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.096 10.149 -20.108 1.00 0.00 H new ATOM 1070 N SER A 89 11.839 11.484 -21.249 1.00 0.00 N ATOM 1071 CA SER A 89 10.381 11.504 -21.410 1.00 0.00 C ATOM 1072 C SER A 89 9.741 10.210 -20.876 1.00 0.00 C ATOM 1073 O SER A 89 10.298 9.117 -21.014 1.00 0.00 O ATOM 1074 CB SER A 89 9.998 11.763 -22.877 1.00 0.00 C ATOM 1075 OG SER A 89 10.498 10.748 -23.739 1.00 0.00 O ATOM 0 H SER A 89 12.218 10.537 -21.248 1.00 0.00 H new ATOM 0 HA SER A 89 9.986 12.327 -20.814 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.913 11.814 -22.966 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.389 12.731 -23.190 1.00 0.00 H new ATOM 0 HG SER A 89 10.234 10.944 -24.662 1.00 0.00 H new ATOM 1081 N PHE A 90 8.585 10.344 -20.219 1.00 0.00 N ATOM 1082 CA PHE A 90 7.769 9.253 -19.656 1.00 0.00 C ATOM 1083 C PHE A 90 6.315 9.729 -19.467 1.00 0.00 C ATOM 1084 O PHE A 90 6.046 10.930 -19.527 1.00 0.00 O ATOM 1085 CB PHE A 90 8.371 8.750 -18.325 1.00 0.00 C ATOM 1086 CG PHE A 90 8.424 9.779 -17.208 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.528 10.648 -17.095 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.363 9.877 -16.286 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.559 11.623 -16.081 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.398 10.849 -15.271 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.492 11.727 -15.172 1.00 0.00 C ATOM 0 H PHE A 90 8.168 11.260 -20.055 1.00 0.00 H new ATOM 0 HA PHE A 90 7.769 8.415 -20.353 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.789 7.895 -17.982 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.383 8.391 -18.515 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.352 10.565 -17.788 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.521 9.204 -16.359 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.403 12.292 -16.001 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.583 10.922 -14.566 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.512 12.480 -14.398 1.00 0.00 H new ATOM 1101 N SER A 91 5.376 8.808 -19.234 1.00 0.00 N ATOM 1102 CA SER A 91 3.944 9.116 -19.072 1.00 0.00 C ATOM 1103 C SER A 91 3.425 8.762 -17.679 1.00 0.00 C ATOM 1104 O SER A 91 3.893 7.808 -17.059 1.00 0.00 O ATOM 1105 CB SER A 91 3.131 8.375 -20.135 1.00 0.00 C ATOM 1106 OG SER A 91 1.759 8.702 -20.013 1.00 0.00 O ATOM 0 H SER A 91 5.587 7.814 -19.151 1.00 0.00 H new ATOM 0 HA SER A 91 3.827 10.193 -19.196 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.489 8.641 -21.129 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.268 7.299 -20.024 1.00 0.00 H new ATOM 0 HG SER A 91 1.299 8.500 -20.854 1.00 0.00 H new ATOM 1112 N VAL A 92 2.384 9.457 -17.216 1.00 0.00 N ATOM 1113 CA VAL A 92 1.632 9.098 -15.995 1.00 0.00 C ATOM 1114 C VAL A 92 0.976 7.707 -16.082 1.00 0.00 C ATOM 1115 O VAL A 92 0.773 7.070 -15.048 1.00 0.00 O ATOM 1116 CB VAL A 92 0.567 10.163 -15.660 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.224 11.516 -15.372 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.486 10.298 -16.761 1.00 0.00 C ATOM 0 H VAL A 92 2.030 10.295 -17.677 1.00 0.00 H new ATOM 0 HA VAL A 92 2.366 9.062 -15.190 1.00 0.00 H new ATOM 0 HB VAL A 92 0.050 9.825 -14.762 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.454 12.252 -15.138 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.902 11.418 -14.524 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.784 11.842 -16.248 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.213 11.060 -16.478 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.002 10.587 -17.694 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.995 9.344 -16.897 1.00 0.00 H new ATOM 1128 N LYS A 93 0.681 7.211 -17.299 1.00 0.00 N ATOM 1129 CA LYS A 93 0.222 5.826 -17.556 1.00 0.00 C ATOM 1130 C LYS A 93 1.332 4.833 -17.945 1.00 0.00 C ATOM 1131 O LYS A 93 1.051 3.653 -18.156 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.993 5.811 -18.502 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.694 6.261 -19.939 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.933 6.085 -20.833 1.00 0.00 C ATOM 1135 CE LYS A 93 -1.711 6.575 -22.273 1.00 0.00 C ATOM 1136 NZ LYS A 93 -0.821 5.673 -23.057 1.00 0.00 N ATOM 0 H LYS A 93 0.755 7.770 -18.149 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.113 5.438 -16.594 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.402 4.801 -18.530 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.767 6.457 -18.087 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.384 7.306 -19.941 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.136 5.681 -20.342 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.213 5.032 -20.853 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.770 6.629 -20.395 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.674 6.656 -22.777 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.278 7.575 -22.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.705 6.050 -24.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.108 5.614 -22.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.244 4.724 -23.106 1.00 0.00 H new ATOM 1150 N ASP A 94 2.582 5.293 -18.029 1.00 0.00 N ATOM 1151 CA ASP A 94 3.777 4.463 -18.263 1.00 0.00 C ATOM 1152 C ASP A 94 5.004 4.960 -17.448 1.00 0.00 C ATOM 1153 O ASP A 94 6.018 5.365 -18.029 1.00 0.00 O ATOM 1154 CB ASP A 94 4.042 4.389 -19.780 1.00 0.00 C ATOM 1155 CG ASP A 94 5.138 3.374 -20.153 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.155 2.256 -19.586 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.957 3.669 -21.058 1.00 0.00 O ATOM 0 H ASP A 94 2.803 6.284 -17.934 1.00 0.00 H new ATOM 0 HA ASP A 94 3.595 3.452 -17.899 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.118 4.121 -20.292 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.331 5.376 -20.141 1.00 0.00 H new ATOM 1162 N PRO A 95 4.935 4.968 -16.096 1.00 0.00 N ATOM 1163 CA PRO A 95 5.966 5.532 -15.212 1.00 0.00 C ATOM 1164 C PRO A 95 7.141 4.573 -14.927 1.00 0.00 C ATOM 1165 O PRO A 95 7.875 4.756 -13.955 1.00 0.00 O ATOM 1166 CB PRO A 95 5.198 5.921 -13.943 1.00 0.00 C ATOM 1167 CG PRO A 95 4.174 4.791 -13.835 1.00 0.00 C ATOM 1168 CD PRO A 95 3.783 4.566 -15.293 1.00 0.00 C ATOM 0 HA PRO A 95 6.465 6.382 -15.677 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.849 5.967 -13.070 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.721 6.897 -14.037 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.603 3.895 -13.386 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.318 5.075 -13.224 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.532 3.520 -15.471 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.903 5.154 -15.554 1.00 0.00 H new ATOM 1176 N SER A 96 7.336 3.533 -15.739 1.00 0.00 N ATOM 1177 CA SER A 96 8.294 2.441 -15.487 1.00 0.00 C ATOM 1178 C SER A 96 9.740 2.890 -15.197 1.00 0.00 C ATOM 1179 O SER A 96 10.289 2.440 -14.186 1.00 0.00 O ATOM 1180 CB SER A 96 8.269 1.433 -16.643 1.00 0.00 C ATOM 1181 OG SER A 96 6.963 0.889 -16.780 1.00 0.00 O ATOM 0 H SER A 96 6.823 3.418 -16.613 1.00 0.00 H new ATOM 0 HA SER A 96 7.953 1.971 -14.564 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.568 1.922 -17.570 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.988 0.635 -16.457 1.00 0.00 H new ATOM 0 HG SER A 96 6.952 0.247 -17.521 1.00 0.00 H new ATOM 1187 N PRO A 97 10.374 3.801 -15.975 1.00 0.00 N ATOM 1188 CA PRO A 97 11.730 4.268 -15.664 1.00 0.00 C ATOM 1189 C PRO A 97 11.790 5.131 -14.390 1.00 0.00 C ATOM 1190 O PRO A 97 12.829 5.184 -13.733 1.00 0.00 O ATOM 1191 CB PRO A 97 12.186 5.045 -16.899 1.00 0.00 C ATOM 1192 CG PRO A 97 10.881 5.575 -17.487 1.00 0.00 C ATOM 1193 CD PRO A 97 9.912 4.428 -17.214 1.00 0.00 C ATOM 0 HA PRO A 97 12.388 3.426 -15.448 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.866 5.855 -16.635 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.713 4.403 -17.605 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.563 6.499 -17.004 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.971 5.786 -18.553 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.891 4.795 -17.109 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.911 3.713 -18.037 1.00 0.00 H new ATOM 1201 N LEU A 98 10.680 5.771 -13.997 1.00 0.00 N ATOM 1202 CA LEU A 98 10.590 6.534 -12.751 1.00 0.00 C ATOM 1203 C LEU A 98 10.563 5.604 -11.530 1.00 0.00 C ATOM 1204 O LEU A 98 11.339 5.812 -10.603 1.00 0.00 O ATOM 1205 CB LEU A 98 9.413 7.524 -12.834 1.00 0.00 C ATOM 1206 CG LEU A 98 9.158 8.290 -11.520 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.643 9.691 -11.823 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.103 7.600 -10.651 1.00 0.00 C ATOM 0 H LEU A 98 9.816 5.772 -14.540 1.00 0.00 H new ATOM 0 HA LEU A 98 11.487 7.137 -12.614 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.608 8.241 -13.631 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.510 6.980 -13.109 1.00 0.00 H new ATOM 0 HG LEU A 98 10.108 8.320 -10.987 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.466 10.224 -10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.383 10.231 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.711 9.623 -12.384 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.954 8.173 -9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.162 7.541 -11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.440 6.594 -10.399 1.00 0.00 H new ATOM 1220 N TYR A 99 9.751 4.543 -11.529 1.00 0.00 N ATOM 1221 CA TYR A 99 9.784 3.567 -10.427 1.00 0.00 C ATOM 1222 C TYR A 99 11.134 2.851 -10.342 1.00 0.00 C ATOM 1223 O TYR A 99 11.666 2.664 -9.247 1.00 0.00 O ATOM 1224 CB TYR A 99 8.645 2.553 -10.560 1.00 0.00 C ATOM 1225 CG TYR A 99 7.327 3.088 -10.026 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.032 2.958 -8.653 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.427 3.759 -10.875 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.837 3.491 -8.130 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.235 4.300 -10.354 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.935 4.167 -8.981 1.00 0.00 C ATOM 1231 OH TYR A 99 3.777 4.693 -8.490 1.00 0.00 O ATOM 0 H TYR A 99 9.073 4.337 -12.263 1.00 0.00 H new ATOM 0 HA TYR A 99 9.647 4.123 -9.500 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.525 2.281 -11.609 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.909 1.642 -10.022 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.725 2.448 -8.000 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.650 3.859 -11.927 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.611 3.383 -7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.549 4.818 -11.007 1.00 0.00 H new ATOM 0 HH TYR A 99 3.279 5.123 -9.216 1.00 0.00 H new ATOM 1241 N ASP A 100 11.728 2.514 -11.488 1.00 0.00 N ATOM 1242 CA ASP A 100 13.046 1.884 -11.555 1.00 0.00 C ATOM 1243 C ASP A 100 14.154 2.773 -10.984 1.00 0.00 C ATOM 1244 O ASP A 100 14.983 2.299 -10.206 1.00 0.00 O ATOM 1245 CB ASP A 100 13.338 1.536 -13.018 1.00 0.00 C ATOM 1246 CG ASP A 100 14.620 0.711 -13.184 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.678 -0.437 -12.683 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.582 1.205 -13.820 1.00 0.00 O ATOM 0 H ASP A 100 11.304 2.672 -12.402 1.00 0.00 H new ATOM 0 HA ASP A 100 13.031 0.984 -10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.496 0.979 -13.430 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.425 2.456 -13.596 1.00 0.00 H new ATOM 1253 N MET A 101 14.135 4.074 -11.299 1.00 0.00 N ATOM 1254 CA MET A 101 15.069 5.016 -10.675 1.00 0.00 C ATOM 1255 C MET A 101 14.813 5.173 -9.172 1.00 0.00 C ATOM 1256 O MET A 101 15.769 5.155 -8.406 1.00 0.00 O ATOM 1257 CB MET A 101 15.145 6.364 -11.415 1.00 0.00 C ATOM 1258 CG MET A 101 14.052 7.391 -11.100 1.00 0.00 C ATOM 1259 SD MET A 101 14.680 8.982 -10.519 1.00 0.00 S ATOM 1260 CE MET A 101 13.103 9.845 -10.373 1.00 0.00 C ATOM 0 H MET A 101 13.493 4.493 -11.972 1.00 0.00 H new ATOM 0 HA MET A 101 16.061 4.575 -10.773 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.111 6.818 -11.194 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.124 6.164 -12.486 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.453 7.554 -11.996 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.387 6.977 -10.343 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.276 10.862 -10.022 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.614 9.876 -11.346 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.465 9.319 -9.662 1.00 0.00 H new ATOM 1270 N LEU A 102 13.562 5.268 -8.706 1.00 0.00 N ATOM 1271 CA LEU A 102 13.262 5.488 -7.289 1.00 0.00 C ATOM 1272 C LEU A 102 13.728 4.292 -6.455 1.00 0.00 C ATOM 1273 O LEU A 102 14.465 4.497 -5.494 1.00 0.00 O ATOM 1274 CB LEU A 102 11.766 5.810 -7.092 1.00 0.00 C ATOM 1275 CG LEU A 102 11.322 7.206 -7.582 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.823 7.368 -7.346 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.034 8.360 -6.870 1.00 0.00 C ATOM 0 H LEU A 102 12.735 5.195 -9.298 1.00 0.00 H new ATOM 0 HA LEU A 102 13.816 6.357 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.177 5.056 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.529 5.723 -6.032 1.00 0.00 H new ATOM 0 HG LEU A 102 11.582 7.256 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.505 8.352 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.283 6.598 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.609 7.269 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.673 9.309 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.829 8.310 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.108 8.283 -7.037 1.00 0.00 H new ATOM 1289 N ARG A 103 13.458 3.060 -6.906 1.00 0.00 N ATOM 1290 CA ARG A 103 13.963 1.808 -6.301 1.00 0.00 C ATOM 1291 C ARG A 103 15.499 1.722 -6.227 1.00 0.00 C ATOM 1292 O ARG A 103 16.020 0.988 -5.387 1.00 0.00 O ATOM 1293 CB ARG A 103 13.398 0.612 -7.087 1.00 0.00 C ATOM 1294 CG ARG A 103 11.899 0.402 -6.809 1.00 0.00 C ATOM 1295 CD ARG A 103 11.279 -0.635 -7.753 1.00 0.00 C ATOM 1296 NE ARG A 103 11.834 -1.990 -7.545 1.00 0.00 N ATOM 1297 CZ ARG A 103 11.606 -3.061 -8.287 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.817 -3.033 -9.325 1.00 0.00 N ATOM 1299 NH2 ARG A 103 12.173 -4.197 -7.996 1.00 0.00 N ATOM 0 H ARG A 103 12.868 2.896 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 103 13.620 1.792 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.551 0.774 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.947 -0.291 -6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.764 0.079 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.374 1.351 -6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.200 -0.660 -7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.449 -0.330 -8.786 1.00 0.00 H new ATOM 0 HE ARG A 103 12.457 -2.111 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.351 -2.165 -9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.665 -3.880 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.797 -4.264 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.993 -5.019 -8.572 1.00 0.00 H new ATOM 1313 N LYS A 104 16.217 2.483 -7.068 1.00 0.00 N ATOM 1314 CA LYS A 104 17.695 2.595 -7.077 1.00 0.00 C ATOM 1315 C LYS A 104 18.248 3.891 -6.456 1.00 0.00 C ATOM 1316 O LYS A 104 19.465 4.053 -6.368 1.00 0.00 O ATOM 1317 CB LYS A 104 18.218 2.328 -8.501 1.00 0.00 C ATOM 1318 CG LYS A 104 18.088 0.831 -8.838 1.00 0.00 C ATOM 1319 CD LYS A 104 18.605 0.470 -10.237 1.00 0.00 C ATOM 1320 CE LYS A 104 17.650 0.995 -11.313 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.020 0.523 -12.673 1.00 0.00 N ATOM 0 H LYS A 104 15.776 3.058 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 104 18.082 1.826 -6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.655 2.922 -9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.260 2.637 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.637 0.251 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.041 0.539 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.598 0.895 -10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.704 -0.612 -10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.634 0.673 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.651 2.085 -11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.208 0.635 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.821 1.083 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.291 -0.480 -12.631 1.00 0.00 H new ATOM 1335 N ASN A 105 17.382 4.810 -6.018 1.00 0.00 N ATOM 1336 CA ASN A 105 17.757 6.068 -5.348 1.00 0.00 C ATOM 1337 C ASN A 105 17.344 6.041 -3.867 1.00 0.00 C ATOM 1338 O ASN A 105 18.174 6.084 -2.961 1.00 0.00 O ATOM 1339 CB ASN A 105 17.091 7.244 -6.097 1.00 0.00 C ATOM 1340 CG ASN A 105 17.902 7.730 -7.281 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.691 8.653 -7.194 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.733 7.104 -8.411 1.00 0.00 N ATOM 0 H ASN A 105 16.373 4.701 -6.120 1.00 0.00 H new ATOM 0 HA ASN A 105 18.839 6.193 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.104 6.935 -6.442 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.941 8.071 -5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.265 7.386 -9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.069 6.332 -8.472 1.00 0.00 H new ATOM 1349 N LEU A 106 16.034 5.968 -3.652 1.00 0.00 N ATOM 1350 CA LEU A 106 15.400 5.782 -2.343 1.00 0.00 C ATOM 1351 C LEU A 106 15.733 4.403 -1.744 1.00 0.00 C ATOM 1352 O LEU A 106 15.968 3.434 -2.469 1.00 0.00 O ATOM 1353 CB LEU A 106 13.861 5.910 -2.441 1.00 0.00 C ATOM 1354 CG LEU A 106 13.255 7.114 -3.182 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.741 7.115 -2.983 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.800 8.454 -2.695 1.00 0.00 C ATOM 0 H LEU A 106 15.356 6.039 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 106 15.795 6.565 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.486 5.006 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.467 5.918 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 106 13.526 7.006 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.306 7.966 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.321 6.191 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.514 7.188 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.333 9.263 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.578 8.574 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.879 8.484 -2.845 1.00 0.00 H new ATOM 1368 N VAL A 107 15.623 4.285 -0.418 1.00 0.00 N ATOM 1369 CA VAL A 107 15.683 2.998 0.315 1.00 0.00 C ATOM 1370 C VAL A 107 14.378 2.187 0.213 1.00 0.00 C ATOM 1371 O VAL A 107 13.799 1.771 1.217 1.00 0.00 O ATOM 1372 CB VAL A 107 16.160 3.153 1.774 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.630 3.587 1.808 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.314 4.125 2.610 1.00 0.00 C ATOM 0 H VAL A 107 15.487 5.089 0.195 1.00 0.00 H new ATOM 0 HA VAL A 107 16.449 2.413 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 107 16.041 2.171 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.954 3.693 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 107 18.243 2.835 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.739 4.542 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.714 4.178 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.343 5.116 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.283 3.772 2.645 1.00 0.00 H new ATOM 1384 N THR A 108 13.907 1.942 -1.015 1.00 0.00 N ATOM 1385 CA THR A 108 12.729 1.098 -1.302 1.00 0.00 C ATOM 1386 C THR A 108 11.468 1.591 -0.566 1.00 0.00 C ATOM 1387 O THR A 108 10.922 0.920 0.314 1.00 0.00 O ATOM 1388 CB THR A 108 13.067 -0.384 -1.028 1.00 0.00 C ATOM 1389 OG1 THR A 108 14.211 -0.763 -1.775 1.00 0.00 O ATOM 1390 CG2 THR A 108 11.967 -1.359 -1.480 1.00 0.00 C ATOM 0 H THR A 108 14.337 2.329 -1.855 1.00 0.00 H new ATOM 0 HA THR A 108 12.482 1.183 -2.360 1.00 0.00 H new ATOM 0 HB THR A 108 13.205 -0.447 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.422 -1.703 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.272 -2.381 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.041 -1.133 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.807 -1.255 -2.553 1.00 0.00 H new ATOM 1398 N LEU A 109 11.005 2.800 -0.911 1.00 0.00 N ATOM 1399 CA LEU A 109 9.719 3.323 -0.425 1.00 0.00 C ATOM 1400 C LEU A 109 8.568 2.871 -1.338 1.00 0.00 C ATOM 1401 O LEU A 109 8.694 2.894 -2.565 1.00 0.00 O ATOM 1402 CB LEU A 109 9.747 4.855 -0.268 1.00 0.00 C ATOM 1403 CG LEU A 109 10.872 5.447 0.593 1.00 0.00 C ATOM 1404 CD1 LEU A 109 10.561 6.904 0.931 1.00 0.00 C ATOM 1405 CD2 LEU A 109 11.072 4.707 1.915 1.00 0.00 C ATOM 0 H LEU A 109 11.505 3.439 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 109 9.546 2.907 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.814 5.296 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.794 5.169 0.157 1.00 0.00 H new ATOM 0 HG LEU A 109 11.781 5.352 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 109 11.365 7.315 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.474 7.481 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.622 6.957 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.881 5.175 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.153 4.751 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.325 3.666 1.715 1.00 0.00 H new ATOM 1417 N ALA A 110 7.446 2.475 -0.734 1.00 0.00 N ATOM 1418 CA ALA A 110 6.281 1.917 -1.424 1.00 0.00 C ATOM 1419 C ALA A 110 4.966 2.225 -0.678 1.00 0.00 C ATOM 1420 O ALA A 110 4.968 2.484 0.530 1.00 0.00 O ATOM 1421 CB ALA A 110 6.512 0.407 -1.586 1.00 0.00 C ATOM 0 H ALA A 110 7.319 2.535 0.276 1.00 0.00 H new ATOM 0 HA ALA A 110 6.173 2.381 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.659 -0.039 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.416 0.238 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.625 -0.051 -0.604 1.00 0.00 H new ATOM 1427 N THR A 111 3.843 2.216 -1.402 1.00 0.00 N ATOM 1428 CA THR A 111 2.503 2.553 -0.877 1.00 0.00 C ATOM 1429 C THR A 111 1.365 1.869 -1.645 1.00 0.00 C ATOM 1430 O THR A 111 1.546 1.384 -2.773 1.00 0.00 O ATOM 1431 CB THR A 111 2.303 4.080 -0.859 1.00 0.00 C ATOM 1432 OG1 THR A 111 1.075 4.404 -0.236 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.302 4.737 -2.243 1.00 0.00 C ATOM 0 H THR A 111 3.833 1.970 -2.392 1.00 0.00 H new ATOM 0 HA THR A 111 2.461 2.170 0.142 1.00 0.00 H new ATOM 0 HB THR A 111 3.160 4.467 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.959 5.377 -0.228 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.155 5.812 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.256 4.548 -2.736 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.494 4.319 -2.844 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.603 12.607 -11.260 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.573 13.398 -10.573 1.00 0.00 C HETATM 1444 CG2 48L A 200 0.919 11.134 -9.817 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.785 14.062 -13.186 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.817 12.955 -11.879 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.651 13.563 -9.702 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.223 10.303 -10.902 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.308 10.736 -8.533 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.852 13.349 -13.750 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.123 15.006 -13.990 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.113 12.658 -12.295 1.00 0.00 C HETATM 1453 CE2 48L A 200 4.947 13.262 -10.116 1.00 0.00 C HETATM 1454 CE3 48L A 200 1.968 9.525 -8.328 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.905 9.106 -10.696 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.323 13.654 -15.026 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.606 15.315 -15.261 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.174 12.811 -11.410 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.266 8.703 -9.413 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -1.718 14.663 -15.772 1.00 0.00 C HETATM 1461 CL 48L A 200 6.781 12.445 -11.917 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.526 14.817 -17.460 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.663 14.831 -15.274 1.00 0.00 C HETATM 1464 CM3 48L A 200 3.274 16.410 -13.393 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.277 19.024 -12.173 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.373 18.398 -12.630 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.172 20.220 -12.374 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.691 16.987 -12.377 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.473 16.751 -11.242 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.914 16.422 -11.172 1.00 0.00 C HETATM 1471 N3 48L A 200 0.439 14.601 -10.987 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.161 15.028 -17.026 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.223 18.210 -11.423 1.00 0.00 C HETATM 1474 C5 48L A 200 0.536 15.939 -10.819 1.00 0.00 C HETATM 1475 O5 48L A 200 1.510 16.430 -10.274 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.404 13.766 -11.768 1.00 0.00 C HETATM 1477 O6 48L A 200 1.062 15.558 -13.554 1.00 0.00 O HETATM 1478 C7 48L A 200 0.205 12.473 -10.014 1.00 0.00 C HETATM 1479 C8 48L A 200 1.154 13.703 -10.082 1.00 0.00 C HETATM 1480 C9 48L A 200 2.169 15.986 -14.378 1.00 0.00 C HETATM 1481 BR 48L A 200 2.369 8.022 -12.181 1.00 0.00 BR HETATM 1482 F 48L A 200 1.056 11.522 -7.469 1.00 0.00 F