USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 781 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 Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0566 (180deg=-0.244) USER MOD Single : A 24 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.84) USER MOD Single : A 26 GLN : amide:sc= -0.968 K(o=-0.97,f=-3.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -150:sc= -0.375 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 40 SER OG : rot -13:sc= -0.309! USER MOD Single : A 44 THR OG1 : rot -95:sc= 0.842 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0622) USER MOD Single : A 55 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 64 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.6) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.073) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 75:sc= 0.158 USER MOD Single : A 87 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 77:sc= 0.771 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 152:sc= -0.508 (180deg=-1.39) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.054 USER MOD Single : A 104 SER OG : rot 180:sc= -0.564 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -12.768 -11.294 -19.859 1.00 0.00 N ATOM 2 CA LYS A 17 -12.857 -10.255 -18.840 1.00 0.00 C ATOM 3 C LYS A 17 -12.045 -10.633 -17.606 1.00 0.00 C ATOM 4 O LYS A 17 -12.158 -11.748 -17.094 1.00 0.00 O ATOM 5 CB LYS A 17 -14.317 -10.018 -18.450 1.00 0.00 C ATOM 6 CG LYS A 17 -15.165 -9.459 -19.581 1.00 0.00 C ATOM 7 CD LYS A 17 -15.265 -7.943 -19.505 1.00 0.00 C ATOM 8 CE LYS A 17 -15.365 -7.322 -20.889 1.00 0.00 C ATOM 9 NZ LYS A 17 -14.782 -5.953 -20.926 1.00 0.00 N ATOM 0 HA LYS A 17 -12.445 -9.336 -19.257 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.751 -10.959 -18.112 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.352 -9.329 -17.606 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.733 -9.749 -20.539 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.164 -9.893 -19.537 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.138 -7.664 -18.916 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.392 -7.545 -18.989 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.849 -7.956 -21.610 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.411 -7.280 -21.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.870 -5.564 -21.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.291 -5.341 -20.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.777 -5.996 -20.660 1.00 0.00 H new ATOM 23 N ARG A 18 -11.226 -9.699 -17.133 1.00 0.00 N ATOM 24 CA ARG A 18 -10.394 -9.936 -15.958 1.00 0.00 C ATOM 25 C ARG A 18 -11.165 -9.633 -14.678 1.00 0.00 C ATOM 26 O ARG A 18 -12.118 -8.852 -14.685 1.00 0.00 O ATOM 27 CB ARG A 18 -9.129 -9.078 -16.024 1.00 0.00 C ATOM 28 CG ARG A 18 -7.984 -9.617 -15.180 1.00 0.00 C ATOM 29 CD ARG A 18 -6.635 -9.336 -15.823 1.00 0.00 C ATOM 30 NE ARG A 18 -6.331 -10.278 -16.898 1.00 0.00 N ATOM 31 CZ ARG A 18 -6.526 -10.026 -18.193 1.00 0.00 C ATOM 32 NH1 ARG A 18 -7.028 -8.860 -18.587 1.00 0.00 N ATOM 33 NH2 ARG A 18 -6.220 -10.945 -19.098 1.00 0.00 N ATOM 0 H ARG A 18 -11.121 -8.772 -17.545 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.110 -10.988 -15.948 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.802 -9.006 -17.061 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.368 -8.067 -15.694 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.017 -9.164 -14.189 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.106 -10.692 -15.044 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.627 -8.320 -16.219 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.854 -9.388 -15.064 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.945 -11.187 -16.641 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.268 -8.149 -17.897 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.173 -8.677 -19.580 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.836 -11.843 -18.803 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.368 -10.754 -20.089 1.00 0.00 H new ATOM 47 N VAL A 19 -10.749 -10.256 -13.581 1.00 0.00 N ATOM 48 CA VAL A 19 -11.402 -10.056 -12.292 1.00 0.00 C ATOM 49 C VAL A 19 -10.658 -9.039 -11.439 1.00 0.00 C ATOM 50 O VAL A 19 -10.979 -8.834 -10.267 1.00 0.00 O ATOM 51 CB VAL A 19 -11.504 -11.372 -11.512 1.00 0.00 C ATOM 52 CG1 VAL A 19 -12.355 -11.195 -10.264 1.00 0.00 C ATOM 53 CG2 VAL A 19 -12.055 -12.485 -12.393 1.00 0.00 C ATOM 0 H VAL A 19 -9.962 -10.904 -13.558 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.403 -9.680 -12.506 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.500 -11.658 -11.199 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.414 -12.141 -9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.904 -10.439 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.358 -10.877 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.118 -13.408 -11.817 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.048 -12.210 -12.747 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.394 -12.634 -13.247 1.00 0.00 H new ATOM 63 N GLY A 20 -9.669 -8.412 -12.038 1.00 0.00 N ATOM 64 CA GLY A 20 -8.877 -7.418 -11.338 1.00 0.00 C ATOM 65 C GLY A 20 -8.188 -6.452 -12.283 1.00 0.00 C ATOM 66 O GLY A 20 -8.260 -6.607 -13.501 1.00 0.00 O ATOM 0 H GLY A 20 -9.393 -8.571 -13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.520 -6.859 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.127 -7.920 -10.727 1.00 0.00 H new ATOM 70 N LYS A 21 -7.520 -5.452 -11.717 1.00 0.00 N ATOM 71 CA LYS A 21 -6.813 -4.456 -12.514 1.00 0.00 C ATOM 72 C LYS A 21 -5.875 -3.630 -11.640 1.00 0.00 C ATOM 73 O LYS A 21 -6.209 -3.291 -10.504 1.00 0.00 O ATOM 74 CB LYS A 21 -7.811 -3.537 -13.223 1.00 0.00 C ATOM 75 CG LYS A 21 -8.904 -3.007 -12.312 1.00 0.00 C ATOM 76 CD LYS A 21 -8.587 -1.604 -11.819 1.00 0.00 C ATOM 77 CE LYS A 21 -9.800 -0.949 -11.173 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.149 0.341 -11.829 1.00 0.00 N ATOM 0 H LYS A 21 -7.453 -5.310 -10.709 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.218 -4.979 -13.262 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.272 -2.695 -13.657 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.270 -4.081 -14.048 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.853 -3.000 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.024 -3.675 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.770 -1.647 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.245 -0.993 -12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.652 -1.627 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.599 -0.776 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.136 0.586 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.520 1.091 -11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.035 0.249 -12.859 1.00 0.00 H new ATOM 92 N ARG A 22 -4.700 -3.313 -12.173 1.00 0.00 N ATOM 93 CA ARG A 22 -3.714 -2.531 -11.436 1.00 0.00 C ATOM 94 C ARG A 22 -3.775 -1.058 -11.832 1.00 0.00 C ATOM 95 O ARG A 22 -4.033 -0.725 -12.988 1.00 0.00 O ATOM 96 CB ARG A 22 -2.308 -3.078 -11.683 1.00 0.00 C ATOM 97 CG ARG A 22 -1.855 -2.963 -13.128 1.00 0.00 C ATOM 98 CD ARG A 22 -0.929 -4.105 -13.513 1.00 0.00 C ATOM 99 NE ARG A 22 0.200 -3.647 -14.319 1.00 0.00 N ATOM 100 CZ ARG A 22 0.103 -3.290 -15.598 1.00 0.00 C ATOM 101 NH1 ARG A 22 -1.069 -3.338 -16.220 1.00 0.00 N ATOM 102 NH2 ARG A 22 1.179 -2.881 -16.256 1.00 0.00 N ATOM 0 H ARG A 22 -4.407 -3.585 -13.111 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.947 -2.612 -10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.603 -2.544 -11.046 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.277 -4.126 -11.384 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.725 -2.962 -13.784 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.343 -2.012 -13.275 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.557 -4.590 -12.610 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.491 -4.855 -14.069 1.00 0.00 H new ATOM 0 HE ARG A 22 1.117 -3.598 -13.876 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.900 -3.649 -15.718 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.138 -3.063 -17.200 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.081 -2.840 -15.782 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.104 -2.608 -17.236 1.00 0.00 H new ATOM 116 N LEU A 23 -3.536 -0.181 -10.861 1.00 0.00 N ATOM 117 CA LEU A 23 -3.564 1.257 -11.106 1.00 0.00 C ATOM 118 C LEU A 23 -2.297 1.926 -10.585 1.00 0.00 C ATOM 119 O LEU A 23 -1.635 1.412 -9.684 1.00 0.00 O ATOM 120 CB LEU A 23 -4.791 1.895 -10.446 1.00 0.00 C ATOM 121 CG LEU A 23 -5.998 0.971 -10.281 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.950 1.519 -9.227 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.715 0.789 -11.610 1.00 0.00 C ATOM 0 H LEU A 23 -3.321 -0.441 -9.898 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.621 1.407 -12.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.502 2.267 -9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.094 2.759 -11.038 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.643 -0.004 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.803 0.848 -9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.430 1.596 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.299 2.506 -9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.571 0.129 -11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.058 1.757 -11.974 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.030 0.350 -12.336 1.00 0.00 H new ATOM 135 N ASN A 24 -1.971 3.080 -11.156 1.00 0.00 N ATOM 136 CA ASN A 24 -0.789 3.833 -10.750 1.00 0.00 C ATOM 137 C ASN A 24 -1.197 5.137 -10.073 1.00 0.00 C ATOM 138 O ASN A 24 -2.009 5.893 -10.604 1.00 0.00 O ATOM 139 CB ASN A 24 0.100 4.125 -11.963 1.00 0.00 C ATOM 140 CG ASN A 24 1.407 3.357 -11.920 1.00 0.00 C ATOM 141 OD1 ASN A 24 2.055 3.271 -10.878 1.00 0.00 O ATOM 142 ND2 ASN A 24 1.798 2.793 -13.056 1.00 0.00 N ATOM 0 H ASN A 24 -2.510 3.516 -11.904 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.224 3.231 -10.038 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.439 3.869 -12.875 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.311 5.194 -12.007 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.668 2.262 -13.089 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.228 2.891 -13.896 1.00 0.00 H new ATOM 149 N ILE A 25 -0.640 5.392 -8.893 1.00 0.00 N ATOM 150 CA ILE A 25 -0.965 6.604 -8.150 1.00 0.00 C ATOM 151 C ILE A 25 0.290 7.324 -7.666 1.00 0.00 C ATOM 152 O ILE A 25 1.106 6.758 -6.939 1.00 0.00 O ATOM 153 CB ILE A 25 -1.867 6.290 -6.939 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.160 5.611 -7.403 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.182 7.560 -6.160 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.263 4.158 -6.994 1.00 0.00 C ATOM 0 H ILE A 25 0.034 4.780 -8.433 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.500 7.258 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.333 5.608 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.012 6.155 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.227 5.680 -8.489 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.819 7.317 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.254 8.007 -5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.698 8.267 -6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.204 3.744 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.431 3.599 -7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.229 4.083 -5.907 1.00 0.00 H new ATOM 168 N GLN A 26 0.424 8.587 -8.062 1.00 0.00 N ATOM 169 CA GLN A 26 1.561 9.405 -7.659 1.00 0.00 C ATOM 170 C GLN A 26 1.130 10.394 -6.583 1.00 0.00 C ATOM 171 O GLN A 26 0.125 11.089 -6.738 1.00 0.00 O ATOM 172 CB GLN A 26 2.139 10.156 -8.862 1.00 0.00 C ATOM 173 CG GLN A 26 2.158 9.340 -10.143 1.00 0.00 C ATOM 174 CD GLN A 26 1.145 9.826 -11.161 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.017 9.418 -11.144 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.581 10.704 -12.057 1.00 0.00 N ATOM 0 H GLN A 26 -0.245 9.067 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 26 2.335 8.752 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.555 11.062 -9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.156 10.471 -8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.155 9.381 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.957 8.295 -9.906 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.552 11.016 -12.035 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.945 11.067 -12.767 1.00 0.00 H new ATOM 185 N LEU A 27 1.876 10.444 -5.485 1.00 0.00 N ATOM 186 CA LEU A 27 1.539 11.340 -4.387 1.00 0.00 C ATOM 187 C LEU A 27 2.672 12.306 -4.069 1.00 0.00 C ATOM 188 O LEU A 27 3.808 11.895 -3.834 1.00 0.00 O ATOM 189 CB LEU A 27 1.184 10.531 -3.140 1.00 0.00 C ATOM 190 CG LEU A 27 0.112 9.467 -3.357 1.00 0.00 C ATOM 191 CD1 LEU A 27 0.081 8.492 -2.189 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.248 10.117 -3.551 1.00 0.00 C ATOM 0 H LEU A 27 2.712 9.879 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 27 0.678 11.931 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.087 10.047 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.845 11.216 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 27 0.358 8.908 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.690 7.741 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.051 8.003 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.140 9.033 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.002 9.345 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.502 10.701 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.217 10.772 -4.422 1.00 0.00 H new ATOM 204 N LYS A 28 2.344 13.592 -4.048 1.00 0.00 N ATOM 205 CA LYS A 28 3.318 14.628 -3.743 1.00 0.00 C ATOM 206 C LYS A 28 3.563 14.702 -2.241 1.00 0.00 C ATOM 207 O LYS A 28 2.680 15.093 -1.478 1.00 0.00 O ATOM 208 CB LYS A 28 2.833 15.985 -4.254 1.00 0.00 C ATOM 209 CG LYS A 28 3.875 17.082 -4.136 1.00 0.00 C ATOM 210 CD LYS A 28 5.150 16.710 -4.869 1.00 0.00 C ATOM 211 CE LYS A 28 6.145 17.859 -4.884 1.00 0.00 C ATOM 212 NZ LYS A 28 6.743 18.057 -6.233 1.00 0.00 N ATOM 0 H LYS A 28 1.405 13.942 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 28 4.253 14.375 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.537 15.887 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.943 16.278 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.476 18.011 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.097 17.264 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.604 15.842 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.911 16.422 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.646 18.776 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.937 17.663 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.416 18.849 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.241 17.191 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.990 18.269 -6.919 1.00 0.00 H new ATOM 226 N LYS A 29 4.764 14.323 -1.820 1.00 0.00 N ATOM 227 CA LYS A 29 5.120 14.342 -0.406 1.00 0.00 C ATOM 228 C LYS A 29 4.831 15.709 0.214 1.00 0.00 C ATOM 229 O LYS A 29 5.369 16.726 -0.221 1.00 0.00 O ATOM 230 CB LYS A 29 6.595 13.988 -0.225 1.00 0.00 C ATOM 231 CG LYS A 29 7.051 14.022 1.224 1.00 0.00 C ATOM 232 CD LYS A 29 7.482 12.647 1.711 1.00 0.00 C ATOM 233 CE LYS A 29 7.011 12.392 3.134 1.00 0.00 C ATOM 234 NZ LYS A 29 6.547 10.990 3.322 1.00 0.00 N ATOM 0 H LYS A 29 5.508 13.999 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 29 4.510 13.597 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.774 12.993 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.202 14.683 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.881 14.721 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.241 14.393 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.078 11.881 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.568 12.567 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.824 12.602 3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.200 13.079 3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.234 10.857 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.754 10.797 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.328 10.335 3.115 1.00 0.00 H new ATOM 248 N GLY A 30 3.978 15.720 1.234 1.00 0.00 N ATOM 249 CA GLY A 30 3.632 16.963 1.899 1.00 0.00 C ATOM 250 C GLY A 30 4.224 17.060 3.292 1.00 0.00 C ATOM 251 O GLY A 30 5.437 16.960 3.466 1.00 0.00 O ATOM 0 H GLY A 30 3.520 14.890 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.983 17.802 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.547 17.048 1.962 1.00 0.00 H new ATOM 255 N THR A 31 3.363 17.259 4.286 1.00 0.00 N ATOM 256 CA THR A 31 3.808 17.372 5.671 1.00 0.00 C ATOM 257 C THR A 31 3.238 16.242 6.522 1.00 0.00 C ATOM 258 O THR A 31 3.967 15.575 7.257 1.00 0.00 O ATOM 259 CB THR A 31 3.392 18.725 6.252 1.00 0.00 C ATOM 260 OG1 THR A 31 2.256 19.233 5.575 1.00 0.00 O ATOM 261 CG2 THR A 31 4.481 19.772 6.170 1.00 0.00 C ATOM 0 H THR A 31 2.355 17.345 4.158 1.00 0.00 H new ATOM 0 HA THR A 31 4.895 17.297 5.684 1.00 0.00 H new ATOM 0 HB THR A 31 3.173 18.533 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.004 20.098 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.120 20.707 6.599 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.355 19.432 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.753 19.933 5.127 1.00 0.00 H new ATOM 269 N GLU A 32 1.929 16.032 6.418 1.00 0.00 N ATOM 270 CA GLU A 32 1.260 14.982 7.181 1.00 0.00 C ATOM 271 C GLU A 32 1.348 13.644 6.454 1.00 0.00 C ATOM 272 O GLU A 32 0.328 13.021 6.153 1.00 0.00 O ATOM 273 CB GLU A 32 -0.204 15.354 7.420 1.00 0.00 C ATOM 274 CG GLU A 32 -0.427 16.163 8.687 1.00 0.00 C ATOM 275 CD GLU A 32 -1.795 15.927 9.298 1.00 0.00 C ATOM 276 OE1 GLU A 32 -2.161 14.749 9.494 1.00 0.00 O ATOM 277 OE2 GLU A 32 -2.499 16.919 9.579 1.00 0.00 O ATOM 0 H GLU A 32 1.311 16.574 5.814 1.00 0.00 H new ATOM 0 HA GLU A 32 1.764 14.885 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.569 15.924 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.798 14.442 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.341 15.907 9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.312 17.223 8.461 1.00 0.00 H new ATOM 284 N GLY A 33 2.571 13.207 6.173 1.00 0.00 N ATOM 285 CA GLY A 33 2.765 11.946 5.481 1.00 0.00 C ATOM 286 C GLY A 33 2.048 11.905 4.147 1.00 0.00 C ATOM 287 O GLY A 33 2.173 12.826 3.338 1.00 0.00 O ATOM 0 H GLY A 33 3.430 13.702 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.831 11.781 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.406 11.131 6.109 1.00 0.00 H new ATOM 291 N LEU A 34 1.295 10.835 3.912 1.00 0.00 N ATOM 292 CA LEU A 34 0.559 10.681 2.664 1.00 0.00 C ATOM 293 C LEU A 34 -0.937 10.484 2.920 1.00 0.00 C ATOM 294 O LEU A 34 -1.758 10.699 2.030 1.00 0.00 O ATOM 295 CB LEU A 34 1.123 9.507 1.863 1.00 0.00 C ATOM 296 CG LEU A 34 2.579 9.680 1.421 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.351 8.381 1.589 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.647 10.163 -0.020 1.00 0.00 C ATOM 0 H LEU A 34 1.179 10.063 4.569 1.00 0.00 H new ATOM 0 HA LEU A 34 0.679 11.597 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.045 8.602 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.504 9.356 0.979 1.00 0.00 H new ATOM 0 HG LEU A 34 3.041 10.435 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.383 8.527 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.335 8.081 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.889 7.602 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.690 10.280 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.165 9.434 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.136 11.122 -0.107 1.00 0.00 H new ATOM 310 N GLY A 35 -1.286 10.086 4.141 1.00 0.00 N ATOM 311 CA GLY A 35 -2.680 9.883 4.486 1.00 0.00 C ATOM 312 C GLY A 35 -3.181 8.497 4.141 1.00 0.00 C ATOM 313 O GLY A 35 -4.379 8.300 3.938 1.00 0.00 O ATOM 0 H GLY A 35 -0.627 9.901 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.813 10.055 5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.288 10.623 3.966 1.00 0.00 H new ATOM 317 N PHE A 36 -2.273 7.532 4.074 1.00 0.00 N ATOM 318 CA PHE A 36 -2.655 6.165 3.752 1.00 0.00 C ATOM 319 C PHE A 36 -1.825 5.156 4.541 1.00 0.00 C ATOM 320 O PHE A 36 -0.595 5.203 4.532 1.00 0.00 O ATOM 321 CB PHE A 36 -2.515 5.909 2.246 1.00 0.00 C ATOM 322 CG PHE A 36 -1.095 5.777 1.774 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.417 4.575 1.898 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.438 6.855 1.199 1.00 0.00 C ATOM 325 CE1 PHE A 36 0.888 4.449 1.461 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.867 6.735 0.760 1.00 0.00 C ATOM 327 CZ PHE A 36 1.530 5.531 0.892 1.00 0.00 C ATOM 0 H PHE A 36 -1.275 7.669 4.237 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.700 6.036 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.057 4.998 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.992 6.726 1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.915 3.726 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.952 7.799 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.405 3.506 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.368 7.582 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.550 5.436 0.550 1.00 0.00 H new ATOM 337 N SER A 37 -2.512 4.237 5.211 1.00 0.00 N ATOM 338 CA SER A 37 -1.849 3.205 5.995 1.00 0.00 C ATOM 339 C SER A 37 -1.960 1.860 5.287 1.00 0.00 C ATOM 340 O SER A 37 -3.030 1.495 4.799 1.00 0.00 O ATOM 341 CB SER A 37 -2.465 3.115 7.392 1.00 0.00 C ATOM 342 OG SER A 37 -2.951 4.377 7.817 1.00 0.00 O ATOM 0 H SER A 37 -3.531 4.187 5.226 1.00 0.00 H new ATOM 0 HA SER A 37 -0.796 3.468 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.279 2.391 7.388 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.719 2.752 8.099 1.00 0.00 H new ATOM 0 HG SER A 37 -2.893 4.438 8.793 1.00 0.00 H new ATOM 348 N ILE A 38 -0.854 1.130 5.221 1.00 0.00 N ATOM 349 CA ILE A 38 -0.847 -0.166 4.556 1.00 0.00 C ATOM 350 C ILE A 38 -0.622 -1.306 5.535 1.00 0.00 C ATOM 351 O ILE A 38 0.189 -1.209 6.456 1.00 0.00 O ATOM 352 CB ILE A 38 0.235 -0.237 3.468 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.581 0.219 4.028 1.00 0.00 C ATOM 354 CG2 ILE A 38 -0.166 0.607 2.269 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.722 0.091 3.042 1.00 0.00 C ATOM 0 H ILE A 38 0.043 1.411 5.617 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.831 -0.274 4.100 1.00 0.00 H new ATOM 0 HB ILE A 38 0.335 -1.271 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.500 1.259 4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.813 -0.367 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.610 0.547 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.106 0.235 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.290 1.644 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.646 0.433 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.830 -0.952 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.513 0.700 2.162 1.00 0.00 H new ATOM 367 N THR A 39 -1.342 -2.395 5.309 1.00 0.00 N ATOM 368 CA THR A 39 -1.227 -3.582 6.149 1.00 0.00 C ATOM 369 C THR A 39 -0.389 -4.648 5.448 1.00 0.00 C ATOM 370 O THR A 39 -0.124 -4.552 4.250 1.00 0.00 O ATOM 371 CB THR A 39 -2.611 -4.144 6.490 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.517 -5.501 6.889 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.594 -4.071 5.342 1.00 0.00 C ATOM 0 H THR A 39 -2.015 -2.483 4.548 1.00 0.00 H new ATOM 0 HA THR A 39 -0.732 -3.295 7.077 1.00 0.00 H new ATOM 0 HB THR A 39 -2.981 -3.516 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.410 -5.841 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.552 -4.486 5.656 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.730 -3.031 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.210 -4.643 4.497 1.00 0.00 H new ATOM 381 N SER A 40 0.026 -5.660 6.200 1.00 0.00 N ATOM 382 CA SER A 40 0.836 -6.738 5.645 1.00 0.00 C ATOM 383 C SER A 40 0.076 -8.062 5.666 1.00 0.00 C ATOM 384 O SER A 40 -0.411 -8.491 6.711 1.00 0.00 O ATOM 385 CB SER A 40 2.147 -6.874 6.423 1.00 0.00 C ATOM 386 OG SER A 40 1.991 -7.719 7.550 1.00 0.00 O ATOM 0 H SER A 40 -0.184 -5.757 7.193 1.00 0.00 H new ATOM 0 HA SER A 40 1.062 -6.489 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.921 -7.276 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.484 -5.889 6.748 1.00 0.00 H new ATOM 0 HG SER A 40 1.037 -7.877 7.711 1.00 0.00 H new ATOM 392 N ARG A 41 -0.021 -8.703 4.505 1.00 0.00 N ATOM 393 CA ARG A 41 -0.722 -9.978 4.394 1.00 0.00 C ATOM 394 C ARG A 41 -0.126 -11.015 5.340 1.00 0.00 C ATOM 395 O ARG A 41 -0.829 -11.894 5.839 1.00 0.00 O ATOM 396 CB ARG A 41 -0.662 -10.491 2.954 1.00 0.00 C ATOM 397 CG ARG A 41 -1.865 -11.328 2.554 1.00 0.00 C ATOM 398 CD ARG A 41 -1.579 -12.814 2.689 1.00 0.00 C ATOM 399 NE ARG A 41 -2.710 -13.630 2.249 1.00 0.00 N ATOM 400 CZ ARG A 41 -2.992 -13.876 0.971 1.00 0.00 C ATOM 401 NH1 ARG A 41 -2.231 -13.375 0.007 1.00 0.00 N ATOM 402 NH2 ARG A 41 -4.038 -14.628 0.657 1.00 0.00 N ATOM 0 H ARG A 41 0.376 -8.361 3.630 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.763 -9.816 4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.581 -9.640 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.242 -11.086 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.718 -11.062 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.141 -11.102 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.697 -13.069 2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.347 -13.046 3.728 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.318 -14.034 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.424 -12.797 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.453 -13.567 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.626 -15.017 1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.255 -14.817 -0.322 1.00 0.00 H new ATOM 416 N ASP A 42 1.177 -10.905 5.585 1.00 0.00 N ATOM 417 CA ASP A 42 1.868 -11.833 6.474 1.00 0.00 C ATOM 418 C ASP A 42 1.745 -13.266 5.969 1.00 0.00 C ATOM 419 O ASP A 42 1.337 -14.164 6.707 1.00 0.00 O ATOM 420 CB ASP A 42 1.305 -11.725 7.893 1.00 0.00 C ATOM 421 CG ASP A 42 2.007 -10.661 8.714 1.00 0.00 C ATOM 422 OD1 ASP A 42 3.195 -10.856 9.048 1.00 0.00 O ATOM 423 OD2 ASP A 42 1.369 -9.633 9.023 1.00 0.00 O ATOM 0 H ASP A 42 1.774 -10.184 5.181 1.00 0.00 H new ATOM 0 HA ASP A 42 2.925 -11.565 6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.240 -11.497 7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.401 -12.689 8.393 1.00 0.00 H new ATOM 428 N VAL A 43 2.101 -13.476 4.706 1.00 0.00 N ATOM 429 CA VAL A 43 2.032 -14.801 4.102 1.00 0.00 C ATOM 430 C VAL A 43 3.318 -15.580 4.351 1.00 0.00 C ATOM 431 O VAL A 43 3.288 -16.750 4.732 1.00 0.00 O ATOM 432 CB VAL A 43 1.757 -14.710 2.583 1.00 0.00 C ATOM 433 CG1 VAL A 43 3.026 -14.400 1.800 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.110 -15.991 2.081 1.00 0.00 C ATOM 0 H VAL A 43 2.440 -12.745 4.081 1.00 0.00 H new ATOM 0 HA VAL A 43 1.204 -15.331 4.572 1.00 0.00 H new ATOM 0 HB VAL A 43 1.064 -13.884 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.793 -14.344 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.435 -13.446 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.760 -15.188 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.924 -15.909 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.776 -16.833 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.166 -16.150 2.602 1.00 0.00 H new ATOM 444 N THR A 44 4.443 -14.915 4.132 1.00 0.00 N ATOM 445 CA THR A 44 5.749 -15.529 4.327 1.00 0.00 C ATOM 446 C THR A 44 6.392 -15.037 5.620 1.00 0.00 C ATOM 447 O THR A 44 6.167 -13.903 6.045 1.00 0.00 O ATOM 448 CB THR A 44 6.665 -15.223 3.141 1.00 0.00 C ATOM 449 OG1 THR A 44 6.326 -13.977 2.555 1.00 0.00 O ATOM 450 CG2 THR A 44 6.607 -16.273 2.053 1.00 0.00 C ATOM 0 H THR A 44 4.478 -13.945 3.818 1.00 0.00 H new ATOM 0 HA THR A 44 5.608 -16.608 4.398 1.00 0.00 H new ATOM 0 HB THR A 44 7.674 -15.205 3.552 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.720 -14.125 1.799 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.280 -15.994 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.910 -17.237 2.461 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.589 -16.345 1.671 1.00 0.00 H new ATOM 458 N ILE A 45 7.195 -15.896 6.241 1.00 0.00 N ATOM 459 CA ILE A 45 7.871 -15.551 7.486 1.00 0.00 C ATOM 460 C ILE A 45 8.697 -14.277 7.336 1.00 0.00 C ATOM 461 O ILE A 45 8.877 -13.525 8.292 1.00 0.00 O ATOM 462 CB ILE A 45 8.791 -16.690 7.955 1.00 0.00 C ATOM 463 CG1 ILE A 45 8.057 -18.027 7.880 1.00 0.00 C ATOM 464 CG2 ILE A 45 9.286 -16.425 9.370 1.00 0.00 C ATOM 465 CD1 ILE A 45 8.602 -18.957 6.819 1.00 0.00 C ATOM 0 H ILE A 45 7.393 -16.837 5.901 1.00 0.00 H new ATOM 0 HA ILE A 45 7.092 -15.387 8.231 1.00 0.00 H new ATOM 0 HB ILE A 45 9.657 -16.735 7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.118 -18.520 8.850 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.001 -17.842 7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.936 -17.241 9.687 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.843 -15.488 9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.434 -16.356 10.047 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.033 -19.887 6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.516 -18.483 5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.650 -19.172 7.027 1.00 0.00 H new ATOM 477 N GLY A 46 9.195 -14.040 6.126 1.00 0.00 N ATOM 478 CA GLY A 46 9.996 -12.857 5.872 1.00 0.00 C ATOM 479 C GLY A 46 10.568 -12.834 4.468 1.00 0.00 C ATOM 480 O GLY A 46 11.714 -12.434 4.265 1.00 0.00 O ATOM 0 H GLY A 46 9.058 -14.646 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.384 -11.968 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.811 -12.812 6.594 1.00 0.00 H new ATOM 484 N GLY A 47 9.768 -13.266 3.498 1.00 0.00 N ATOM 485 CA GLY A 47 10.219 -13.285 2.119 1.00 0.00 C ATOM 486 C GLY A 47 9.373 -12.405 1.219 1.00 0.00 C ATOM 487 O GLY A 47 9.664 -11.221 1.047 1.00 0.00 O ATOM 0 H GLY A 47 8.816 -13.603 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.256 -12.953 2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.196 -14.309 1.747 1.00 0.00 H new ATOM 491 N SER A 48 8.325 -12.983 0.642 1.00 0.00 N ATOM 492 CA SER A 48 7.437 -12.243 -0.246 1.00 0.00 C ATOM 493 C SER A 48 6.027 -12.161 0.332 1.00 0.00 C ATOM 494 O SER A 48 5.310 -13.160 0.391 1.00 0.00 O ATOM 495 CB SER A 48 7.395 -12.904 -1.625 1.00 0.00 C ATOM 496 OG SER A 48 7.635 -14.297 -1.533 1.00 0.00 O ATOM 0 H SER A 48 8.070 -13.962 0.774 1.00 0.00 H new ATOM 0 HA SER A 48 7.828 -11.230 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.422 -12.730 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.142 -12.446 -2.274 1.00 0.00 H new ATOM 0 HG SER A 48 7.601 -14.695 -2.428 1.00 0.00 H new ATOM 502 N ALA A 49 5.637 -10.963 0.755 1.00 0.00 N ATOM 503 CA ALA A 49 4.314 -10.746 1.324 1.00 0.00 C ATOM 504 C ALA A 49 3.629 -9.546 0.673 1.00 0.00 C ATOM 505 O ALA A 49 4.185 -8.447 0.646 1.00 0.00 O ATOM 506 CB ALA A 49 4.413 -10.546 2.829 1.00 0.00 C ATOM 0 H ALA A 49 6.220 -10.127 0.714 1.00 0.00 H new ATOM 0 HA ALA A 49 3.709 -11.631 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.417 -10.385 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.856 -11.431 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.038 -9.678 3.040 1.00 0.00 H new ATOM 512 N PRO A 50 2.411 -9.735 0.133 1.00 0.00 N ATOM 513 CA PRO A 50 1.664 -8.655 -0.519 1.00 0.00 C ATOM 514 C PRO A 50 1.167 -7.607 0.471 1.00 0.00 C ATOM 515 O PRO A 50 0.601 -7.938 1.514 1.00 0.00 O ATOM 516 CB PRO A 50 0.483 -9.380 -1.171 1.00 0.00 C ATOM 517 CG PRO A 50 0.299 -10.615 -0.360 1.00 0.00 C ATOM 518 CD PRO A 50 1.670 -11.011 0.114 1.00 0.00 C ATOM 0 HA PRO A 50 2.285 -8.103 -1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.415 -8.762 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.693 -9.619 -2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.367 -10.432 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.152 -11.409 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.636 -11.470 1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.133 -11.734 -0.557 1.00 0.00 H new ATOM 526 N ILE A 51 1.386 -6.339 0.138 1.00 0.00 N ATOM 527 CA ILE A 51 0.966 -5.236 0.991 1.00 0.00 C ATOM 528 C ILE A 51 -0.346 -4.627 0.504 1.00 0.00 C ATOM 529 O ILE A 51 -0.542 -4.430 -0.695 1.00 0.00 O ATOM 530 CB ILE A 51 2.040 -4.135 1.037 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.403 -4.746 1.376 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.657 -3.053 2.038 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.621 -4.980 2.857 1.00 0.00 C ATOM 0 H ILE A 51 1.854 -6.050 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 51 0.821 -5.644 1.991 1.00 0.00 H new ATOM 0 HB ILE A 51 2.109 -3.667 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.506 -5.695 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.188 -4.088 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.429 -2.284 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.707 -2.607 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.561 -3.493 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.608 -5.414 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.552 -4.031 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.860 -5.663 3.233 1.00 0.00 H new ATOM 545 N TYR A 52 -1.237 -4.327 1.442 1.00 0.00 N ATOM 546 CA TYR A 52 -2.529 -3.738 1.109 1.00 0.00 C ATOM 547 C TYR A 52 -2.757 -2.453 1.899 1.00 0.00 C ATOM 548 O TYR A 52 -1.969 -2.107 2.780 1.00 0.00 O ATOM 549 CB TYR A 52 -3.656 -4.731 1.390 1.00 0.00 C ATOM 550 CG TYR A 52 -3.497 -6.047 0.661 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.664 -7.041 1.158 1.00 0.00 C ATOM 552 CD2 TYR A 52 -4.179 -6.293 -0.524 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.516 -8.245 0.494 1.00 0.00 C ATOM 554 CE2 TYR A 52 -4.035 -7.494 -1.193 1.00 0.00 C ATOM 555 CZ TYR A 52 -3.203 -8.466 -0.680 1.00 0.00 C ATOM 556 OH TYR A 52 -3.057 -9.663 -1.343 1.00 0.00 O ATOM 0 H TYR A 52 -1.089 -4.482 2.439 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.528 -3.496 0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.702 -4.922 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.606 -4.280 1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.123 -6.871 2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.832 -5.534 -0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.865 -9.009 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.572 -7.670 -2.113 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.610 -9.658 -2.152 1.00 0.00 H new ATOM 566 N VAL A 53 -3.838 -1.749 1.581 1.00 0.00 N ATOM 567 CA VAL A 53 -4.168 -0.503 2.263 1.00 0.00 C ATOM 568 C VAL A 53 -5.113 -0.752 3.431 1.00 0.00 C ATOM 569 O VAL A 53 -6.319 -0.917 3.243 1.00 0.00 O ATOM 570 CB VAL A 53 -4.812 0.512 1.300 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.948 1.873 1.970 1.00 0.00 C ATOM 572 CG2 VAL A 53 -4.002 0.618 0.016 1.00 0.00 C ATOM 0 H VAL A 53 -4.501 -2.020 0.855 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.232 -0.089 2.639 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.811 0.159 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.405 2.577 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.575 1.781 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.962 2.237 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.472 1.340 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.990 0.947 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.963 -0.356 -0.471 1.00 0.00 H new ATOM 582 N LYS A 54 -4.558 -0.775 4.637 1.00 0.00 N ATOM 583 CA LYS A 54 -5.350 -1.002 5.841 1.00 0.00 C ATOM 584 C LYS A 54 -6.420 0.073 5.995 1.00 0.00 C ATOM 585 O LYS A 54 -7.498 -0.185 6.527 1.00 0.00 O ATOM 586 CB LYS A 54 -4.447 -1.017 7.076 1.00 0.00 C ATOM 587 CG LYS A 54 -5.198 -1.245 8.378 1.00 0.00 C ATOM 588 CD LYS A 54 -5.133 -2.699 8.815 1.00 0.00 C ATOM 589 CE LYS A 54 -4.095 -2.908 9.905 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.540 -2.346 11.211 1.00 0.00 N ATOM 0 H LYS A 54 -3.562 -0.639 4.808 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.841 -1.971 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.697 -1.799 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.912 -0.069 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.776 -0.611 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.239 -0.948 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.111 -3.015 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.893 -3.327 7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.896 -3.974 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.157 -2.438 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.940 -2.721 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.462 -1.309 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.529 -2.615 11.385 1.00 0.00 H new ATOM 604 N ASN A 55 -6.113 1.279 5.531 1.00 0.00 N ATOM 605 CA ASN A 55 -7.057 2.390 5.627 1.00 0.00 C ATOM 606 C ASN A 55 -6.501 3.661 4.992 1.00 0.00 C ATOM 607 O ASN A 55 -5.298 3.916 5.033 1.00 0.00 O ATOM 608 CB ASN A 55 -7.410 2.657 7.091 1.00 0.00 C ATOM 609 CG ASN A 55 -8.876 2.996 7.280 1.00 0.00 C ATOM 610 OD1 ASN A 55 -9.668 2.159 7.711 1.00 0.00 O ATOM 611 ND2 ASN A 55 -9.244 4.229 6.957 1.00 0.00 N ATOM 0 H ASN A 55 -5.225 1.513 5.087 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.955 2.105 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.163 1.779 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.799 3.478 7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.217 4.515 7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.554 4.891 6.603 1.00 0.00 H new ATOM 618 N ILE A 56 -7.396 4.459 4.414 1.00 0.00 N ATOM 619 CA ILE A 56 -7.011 5.713 3.780 1.00 0.00 C ATOM 620 C ILE A 56 -7.321 6.890 4.700 1.00 0.00 C ATOM 621 O ILE A 56 -8.458 7.357 4.768 1.00 0.00 O ATOM 622 CB ILE A 56 -7.742 5.912 2.434 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.480 4.723 1.508 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.302 7.212 1.772 1.00 0.00 C ATOM 625 CD1 ILE A 56 -6.039 4.606 1.063 1.00 0.00 C ATOM 0 H ILE A 56 -8.395 4.257 4.373 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.939 5.668 3.590 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.813 5.973 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.769 3.805 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.117 4.812 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.828 7.334 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.535 8.051 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.228 7.182 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.929 3.741 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.751 5.508 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.397 4.485 1.936 1.00 0.00 H new ATOM 637 N LEU A 57 -6.303 7.358 5.413 1.00 0.00 N ATOM 638 CA LEU A 57 -6.461 8.473 6.342 1.00 0.00 C ATOM 639 C LEU A 57 -7.092 9.684 5.654 1.00 0.00 C ATOM 640 O LEU A 57 -6.887 9.909 4.463 1.00 0.00 O ATOM 641 CB LEU A 57 -5.110 8.851 6.948 1.00 0.00 C ATOM 642 CG LEU A 57 -4.268 7.668 7.430 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.979 8.154 8.071 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.061 6.804 8.404 1.00 0.00 C ATOM 0 H LEU A 57 -5.356 6.982 5.366 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.132 8.154 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.538 9.407 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.280 9.524 7.789 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.010 7.057 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.394 7.298 8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.402 8.723 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.214 8.790 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.444 5.968 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.353 7.403 9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.953 6.422 7.908 1.00 0.00 H new ATOM 656 N PRO A 58 -7.884 10.475 6.403 1.00 0.00 N ATOM 657 CA PRO A 58 -8.561 11.656 5.868 1.00 0.00 C ATOM 658 C PRO A 58 -7.679 12.903 5.840 1.00 0.00 C ATOM 659 O PRO A 58 -8.172 14.012 5.635 1.00 0.00 O ATOM 660 CB PRO A 58 -9.716 11.848 6.848 1.00 0.00 C ATOM 661 CG PRO A 58 -9.179 11.365 8.152 1.00 0.00 C ATOM 662 CD PRO A 58 -8.195 10.267 7.833 1.00 0.00 C ATOM 0 HA PRO A 58 -8.859 11.515 4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.019 12.894 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.594 11.278 6.544 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.693 12.175 8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.982 10.993 8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.300 10.340 8.451 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.625 9.281 8.009 1.00 0.00 H new ATOM 670 N ARG A 59 -6.377 12.723 6.043 1.00 0.00 N ATOM 671 CA ARG A 59 -5.449 13.847 6.035 1.00 0.00 C ATOM 672 C ARG A 59 -4.131 13.469 5.368 1.00 0.00 C ATOM 673 O ARG A 59 -3.164 13.112 6.040 1.00 0.00 O ATOM 674 CB ARG A 59 -5.188 14.332 7.462 1.00 0.00 C ATOM 675 CG ARG A 59 -6.428 14.863 8.165 1.00 0.00 C ATOM 676 CD ARG A 59 -6.291 16.337 8.508 1.00 0.00 C ATOM 677 NE ARG A 59 -7.155 16.723 9.621 1.00 0.00 N ATOM 678 CZ ARG A 59 -6.894 16.436 10.894 1.00 0.00 C ATOM 679 NH1 ARG A 59 -5.798 15.763 11.220 1.00 0.00 N ATOM 680 NH2 ARG A 59 -7.733 16.822 11.846 1.00 0.00 N ATOM 0 H ARG A 59 -5.944 11.816 6.214 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.906 14.652 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.775 13.509 8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.432 15.117 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.299 14.717 7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.602 14.292 9.077 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.254 16.555 8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.538 16.937 7.632 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.007 17.242 9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.149 15.462 10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.604 15.547 12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.578 17.339 11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.533 16.602 12.822 1.00 0.00 H new ATOM 694 N GLY A 60 -4.098 13.556 4.042 1.00 0.00 N ATOM 695 CA GLY A 60 -2.890 13.224 3.310 1.00 0.00 C ATOM 696 C GLY A 60 -3.005 13.518 1.828 1.00 0.00 C ATOM 697 O GLY A 60 -4.031 14.013 1.362 1.00 0.00 O ATOM 0 H GLY A 60 -4.884 13.850 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.053 13.786 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.664 12.167 3.450 1.00 0.00 H new ATOM 701 N ALA A 61 -1.943 13.218 1.089 1.00 0.00 N ATOM 702 CA ALA A 61 -1.914 13.458 -0.348 1.00 0.00 C ATOM 703 C ALA A 61 -2.738 12.428 -1.115 1.00 0.00 C ATOM 704 O ALA A 61 -3.210 12.700 -2.221 1.00 0.00 O ATOM 705 CB ALA A 61 -0.479 13.466 -0.851 1.00 0.00 C ATOM 0 H ALA A 61 -1.088 12.807 1.464 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.363 14.435 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.471 13.646 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.079 14.255 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.015 12.502 -0.641 1.00 0.00 H new ATOM 711 N ALA A 62 -2.903 11.242 -0.540 1.00 0.00 N ATOM 712 CA ALA A 62 -3.666 10.186 -1.196 1.00 0.00 C ATOM 713 C ALA A 62 -5.142 10.547 -1.302 1.00 0.00 C ATOM 714 O ALA A 62 -5.712 10.545 -2.393 1.00 0.00 O ATOM 715 CB ALA A 62 -3.494 8.866 -0.462 1.00 0.00 C ATOM 0 H ALA A 62 -2.522 10.988 0.372 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.276 10.077 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.071 8.091 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.440 8.588 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.847 8.971 0.564 1.00 0.00 H new ATOM 721 N ILE A 63 -5.760 10.855 -0.169 1.00 0.00 N ATOM 722 CA ILE A 63 -7.167 11.212 -0.153 1.00 0.00 C ATOM 723 C ILE A 63 -7.425 12.503 -0.926 1.00 0.00 C ATOM 724 O ILE A 63 -8.450 12.639 -1.593 1.00 0.00 O ATOM 725 CB ILE A 63 -7.695 11.334 1.289 1.00 0.00 C ATOM 726 CG1 ILE A 63 -9.122 10.804 1.349 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.621 12.770 1.799 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.619 10.579 2.753 1.00 0.00 C ATOM 0 H ILE A 63 -5.309 10.864 0.746 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.709 10.407 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.061 10.736 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.784 11.508 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.176 9.865 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.002 12.814 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.585 13.108 1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.223 13.415 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.641 10.202 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.979 9.852 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.597 11.520 3.302 1.00 0.00 H new ATOM 740 N GLN A 64 -6.490 13.446 -0.842 1.00 0.00 N ATOM 741 CA GLN A 64 -6.634 14.711 -1.550 1.00 0.00 C ATOM 742 C GLN A 64 -6.457 14.504 -3.051 1.00 0.00 C ATOM 743 O GLN A 64 -7.113 15.160 -3.861 1.00 0.00 O ATOM 744 CB GLN A 64 -5.631 15.745 -1.022 1.00 0.00 C ATOM 745 CG GLN A 64 -4.270 15.698 -1.699 1.00 0.00 C ATOM 746 CD GLN A 64 -3.277 16.661 -1.081 1.00 0.00 C ATOM 747 OE1 GLN A 64 -2.706 17.509 -1.767 1.00 0.00 O ATOM 748 NE2 GLN A 64 -3.064 16.535 0.225 1.00 0.00 N ATOM 0 H GLN A 64 -5.633 13.358 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.639 15.093 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.053 16.742 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.497 15.590 0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.873 14.685 -1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.387 15.932 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.559 15.818 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.406 17.155 0.697 1.00 0.00 H new ATOM 757 N ASP A 65 -5.568 13.582 -3.414 1.00 0.00 N ATOM 758 CA ASP A 65 -5.310 13.282 -4.817 1.00 0.00 C ATOM 759 C ASP A 65 -6.491 12.542 -5.434 1.00 0.00 C ATOM 760 O ASP A 65 -6.795 12.715 -6.616 1.00 0.00 O ATOM 761 CB ASP A 65 -4.037 12.445 -4.956 1.00 0.00 C ATOM 762 CG ASP A 65 -2.783 13.298 -4.987 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.839 14.414 -5.546 1.00 0.00 O ATOM 764 OD2 ASP A 65 -1.747 12.850 -4.454 1.00 0.00 O ATOM 0 H ASP A 65 -5.016 13.032 -2.756 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.174 14.224 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.975 11.743 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.093 11.853 -5.870 1.00 0.00 H new ATOM 769 N GLY A 66 -7.148 11.714 -4.630 1.00 0.00 N ATOM 770 CA GLY A 66 -8.286 10.955 -5.114 1.00 0.00 C ATOM 771 C GLY A 66 -7.899 9.970 -6.196 1.00 0.00 C ATOM 772 O GLY A 66 -8.512 9.936 -7.263 1.00 0.00 O ATOM 0 H GLY A 66 -6.913 11.555 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.742 10.418 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.039 11.641 -5.502 1.00 0.00 H new ATOM 776 N ARG A 67 -6.874 9.168 -5.923 1.00 0.00 N ATOM 777 CA ARG A 67 -6.402 8.181 -6.886 1.00 0.00 C ATOM 778 C ARG A 67 -6.280 6.803 -6.244 1.00 0.00 C ATOM 779 O ARG A 67 -6.739 5.807 -6.802 1.00 0.00 O ATOM 780 CB ARG A 67 -5.053 8.612 -7.466 1.00 0.00 C ATOM 781 CG ARG A 67 -5.098 9.960 -8.164 1.00 0.00 C ATOM 782 CD ARG A 67 -3.938 10.126 -9.134 1.00 0.00 C ATOM 783 NE ARG A 67 -3.918 11.455 -9.741 1.00 0.00 N ATOM 784 CZ ARG A 67 -2.855 11.976 -10.350 1.00 0.00 C ATOM 785 NH1 ARG A 67 -1.727 11.284 -10.437 1.00 0.00 N ATOM 786 NH2 ARG A 67 -2.923 13.192 -10.873 1.00 0.00 N ATOM 0 H ARG A 67 -6.356 9.183 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.133 8.118 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.317 8.652 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.712 7.856 -8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.041 10.061 -8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.069 10.757 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.999 9.953 -8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.009 9.371 -9.917 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.768 12.016 -9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.671 10.348 -10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.916 11.688 -10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.789 13.727 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.109 13.593 -11.340 1.00 0.00 H new ATOM 800 N LEU A 68 -5.658 6.751 -5.071 1.00 0.00 N ATOM 801 CA LEU A 68 -5.480 5.494 -4.360 1.00 0.00 C ATOM 802 C LEU A 68 -6.400 5.429 -3.142 1.00 0.00 C ATOM 803 O LEU A 68 -6.322 6.267 -2.243 1.00 0.00 O ATOM 804 CB LEU A 68 -4.007 5.326 -3.952 1.00 0.00 C ATOM 805 CG LEU A 68 -3.753 4.940 -2.492 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.313 3.556 -2.198 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.264 4.991 -2.181 1.00 0.00 C ATOM 0 H LEU A 68 -5.270 7.565 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.750 4.672 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.558 4.565 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.486 6.261 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.265 5.659 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.122 3.300 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.387 3.552 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.831 2.823 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.100 4.714 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.733 4.294 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.891 6.001 -2.351 1.00 0.00 H new ATOM 819 N LYS A 69 -7.276 4.431 -3.128 1.00 0.00 N ATOM 820 CA LYS A 69 -8.216 4.253 -2.029 1.00 0.00 C ATOM 821 C LYS A 69 -7.828 3.057 -1.165 1.00 0.00 C ATOM 822 O LYS A 69 -6.744 2.496 -1.316 1.00 0.00 O ATOM 823 CB LYS A 69 -9.626 4.063 -2.578 1.00 0.00 C ATOM 824 CG LYS A 69 -10.408 5.358 -2.687 1.00 0.00 C ATOM 825 CD LYS A 69 -11.608 5.190 -3.594 1.00 0.00 C ATOM 826 CE LYS A 69 -12.408 6.477 -3.710 1.00 0.00 C ATOM 827 NZ LYS A 69 -13.669 6.279 -4.478 1.00 0.00 N ATOM 0 H LYS A 69 -7.354 3.732 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.187 5.147 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.565 3.600 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.169 3.372 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.737 5.673 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.762 6.146 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.275 4.878 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.248 4.397 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.645 6.849 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.801 7.239 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.186 7.180 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.443 5.949 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.260 5.570 -3.998 1.00 0.00 H new ATOM 841 N ALA A 70 -8.723 2.672 -0.260 1.00 0.00 N ATOM 842 CA ALA A 70 -8.475 1.541 0.624 1.00 0.00 C ATOM 843 C ALA A 70 -8.823 0.224 -0.061 1.00 0.00 C ATOM 844 O ALA A 70 -9.493 0.208 -1.094 1.00 0.00 O ATOM 845 CB ALA A 70 -9.270 1.694 1.913 1.00 0.00 C ATOM 0 H ALA A 70 -9.625 3.127 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.412 1.526 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.075 0.842 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.971 2.612 2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.334 1.737 1.681 1.00 0.00 H new ATOM 851 N GLY A 71 -8.364 -0.879 0.520 1.00 0.00 N ATOM 852 CA GLY A 71 -8.638 -2.186 -0.050 1.00 0.00 C ATOM 853 C GLY A 71 -7.805 -2.472 -1.286 1.00 0.00 C ATOM 854 O GLY A 71 -8.103 -3.397 -2.040 1.00 0.00 O ATOM 0 H GLY A 71 -7.808 -0.892 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.443 -2.953 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.695 -2.252 -0.306 1.00 0.00 H new ATOM 858 N ASP A 72 -6.756 -1.679 -1.495 1.00 0.00 N ATOM 859 CA ASP A 72 -5.883 -1.857 -2.647 1.00 0.00 C ATOM 860 C ASP A 72 -4.624 -2.626 -2.259 1.00 0.00 C ATOM 861 O ASP A 72 -4.304 -2.753 -1.078 1.00 0.00 O ATOM 862 CB ASP A 72 -5.504 -0.500 -3.242 1.00 0.00 C ATOM 863 CG ASP A 72 -6.717 0.362 -3.536 1.00 0.00 C ATOM 864 OD1 ASP A 72 -7.824 -0.200 -3.672 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.559 1.597 -3.631 1.00 0.00 O ATOM 0 H ASP A 72 -6.492 -0.909 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.424 -2.434 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.847 0.026 -2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.940 -0.654 -4.162 1.00 0.00 H new ATOM 870 N ARG A 73 -3.915 -3.139 -3.260 1.00 0.00 N ATOM 871 CA ARG A 73 -2.692 -3.898 -3.019 1.00 0.00 C ATOM 872 C ARG A 73 -1.496 -3.242 -3.702 1.00 0.00 C ATOM 873 O ARG A 73 -1.461 -3.112 -4.927 1.00 0.00 O ATOM 874 CB ARG A 73 -2.855 -5.335 -3.519 1.00 0.00 C ATOM 875 CG ARG A 73 -1.749 -6.270 -3.056 1.00 0.00 C ATOM 876 CD ARG A 73 -0.603 -6.311 -4.053 1.00 0.00 C ATOM 877 NE ARG A 73 -1.031 -6.809 -5.359 1.00 0.00 N ATOM 878 CZ ARG A 73 -1.091 -8.100 -5.681 1.00 0.00 C ATOM 879 NH1 ARG A 73 -0.762 -9.030 -4.793 1.00 0.00 N ATOM 880 NH2 ARG A 73 -1.485 -8.461 -6.894 1.00 0.00 N ATOM 0 H ARG A 73 -4.166 -3.043 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.508 -3.911 -1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.814 -5.723 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.883 -5.331 -4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.377 -5.943 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.152 -7.274 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.185 -5.311 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.192 -6.947 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.300 -6.126 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.461 -8.758 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.810 -10.017 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.742 -7.751 -7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.531 -9.449 -7.142 1.00 0.00 H new ATOM 894 N LEU A 74 -0.516 -2.833 -2.901 1.00 0.00 N ATOM 895 CA LEU A 74 0.686 -2.193 -3.423 1.00 0.00 C ATOM 896 C LEU A 74 1.535 -3.181 -4.212 1.00 0.00 C ATOM 897 O LEU A 74 2.122 -4.104 -3.648 1.00 0.00 O ATOM 898 CB LEU A 74 1.506 -1.600 -2.276 1.00 0.00 C ATOM 899 CG LEU A 74 1.118 -0.177 -1.876 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.206 -0.195 -0.658 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.358 0.662 -1.606 1.00 0.00 C ATOM 0 H LEU A 74 -0.532 -2.934 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 74 0.378 -1.393 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.405 -2.247 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.559 -1.608 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 74 0.574 0.276 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.060 0.827 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.699 -0.756 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.723 -0.668 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.060 1.671 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.932 0.212 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.972 0.704 -2.506 1.00 0.00 H new ATOM 913 N ILE A 75 1.592 -2.978 -5.523 1.00 0.00 N ATOM 914 CA ILE A 75 2.367 -3.843 -6.400 1.00 0.00 C ATOM 915 C ILE A 75 3.780 -3.305 -6.595 1.00 0.00 C ATOM 916 O ILE A 75 4.715 -4.069 -6.840 1.00 0.00 O ATOM 917 CB ILE A 75 1.685 -3.994 -7.773 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.306 -4.642 -7.599 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.562 -4.811 -8.718 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.204 -5.361 -8.831 1.00 0.00 C ATOM 0 H ILE A 75 1.108 -2.219 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 75 2.423 -4.820 -5.921 1.00 0.00 H new ATOM 0 HB ILE A 75 1.549 -3.007 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.352 -5.351 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.412 -3.871 -7.319 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.065 -4.908 -9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.520 -4.308 -8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.729 -5.802 -8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.184 -5.790 -8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.286 -4.654 -9.657 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.490 -6.157 -9.101 1.00 0.00 H new ATOM 932 N GLU A 76 3.932 -1.988 -6.494 1.00 0.00 N ATOM 933 CA GLU A 76 5.241 -1.365 -6.672 1.00 0.00 C ATOM 934 C GLU A 76 5.302 0.016 -6.023 1.00 0.00 C ATOM 935 O GLU A 76 4.297 0.723 -5.938 1.00 0.00 O ATOM 936 CB GLU A 76 5.573 -1.250 -8.161 1.00 0.00 C ATOM 937 CG GLU A 76 6.141 -2.528 -8.757 1.00 0.00 C ATOM 938 CD GLU A 76 6.735 -2.314 -10.135 1.00 0.00 C ATOM 939 OE1 GLU A 76 7.902 -1.874 -10.218 1.00 0.00 O ATOM 940 OE2 GLU A 76 6.034 -2.585 -11.132 1.00 0.00 O ATOM 0 H GLU A 76 3.174 -1.336 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 76 5.977 -2.002 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.670 -0.974 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.291 -0.442 -8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.908 -2.925 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.353 -3.278 -8.818 1.00 0.00 H new ATOM 947 N VAL A 77 6.496 0.394 -5.576 1.00 0.00 N ATOM 948 CA VAL A 77 6.715 1.690 -4.943 1.00 0.00 C ATOM 949 C VAL A 77 8.035 2.296 -5.411 1.00 0.00 C ATOM 950 O VAL A 77 9.090 1.671 -5.294 1.00 0.00 O ATOM 951 CB VAL A 77 6.728 1.577 -3.404 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.981 2.935 -2.765 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.424 0.981 -2.897 1.00 0.00 C ATOM 0 H VAL A 77 7.333 -0.185 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 77 5.887 2.336 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 77 7.542 0.910 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.986 2.831 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.945 3.319 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.193 3.628 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.455 0.910 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.592 1.619 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.289 -0.014 -3.322 1.00 0.00 H new ATOM 963 N ASN A 78 7.974 3.511 -5.945 1.00 0.00 N ATOM 964 CA ASN A 78 9.169 4.187 -6.435 1.00 0.00 C ATOM 965 C ASN A 78 9.829 3.381 -7.547 1.00 0.00 C ATOM 966 O ASN A 78 11.046 3.431 -7.729 1.00 0.00 O ATOM 967 CB ASN A 78 10.159 4.409 -5.288 1.00 0.00 C ATOM 968 CG ASN A 78 10.100 5.819 -4.734 1.00 0.00 C ATOM 969 OD1 ASN A 78 10.275 6.794 -5.464 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.850 5.933 -3.435 1.00 0.00 N ATOM 0 H ASN A 78 7.112 4.046 -6.049 1.00 0.00 H new ATOM 0 HA ASN A 78 8.872 5.154 -6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.948 3.699 -4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.170 4.202 -5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.797 6.856 -3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.711 5.097 -2.867 1.00 0.00 H new ATOM 977 N GLY A 79 9.015 2.638 -8.290 1.00 0.00 N ATOM 978 CA GLY A 79 9.534 1.828 -9.378 1.00 0.00 C ATOM 979 C GLY A 79 10.207 0.555 -8.895 1.00 0.00 C ATOM 980 O GLY A 79 10.934 -0.092 -9.649 1.00 0.00 O ATOM 0 H GLY A 79 8.005 2.582 -8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.718 1.569 -10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.249 2.416 -9.953 1.00 0.00 H new ATOM 984 N VAL A 80 9.966 0.193 -7.637 1.00 0.00 N ATOM 985 CA VAL A 80 10.556 -1.009 -7.064 1.00 0.00 C ATOM 986 C VAL A 80 9.512 -2.101 -6.872 1.00 0.00 C ATOM 987 O VAL A 80 8.341 -1.820 -6.617 1.00 0.00 O ATOM 988 CB VAL A 80 11.228 -0.719 -5.707 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.821 -1.990 -5.112 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.296 0.352 -5.859 1.00 0.00 C ATOM 0 H VAL A 80 9.367 0.715 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 80 11.312 -1.351 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 80 10.465 -0.350 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.289 -1.760 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.030 -2.725 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.569 -2.396 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.759 0.544 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.055 0.012 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.841 1.270 -6.231 1.00 0.00 H new ATOM 1000 N ASP A 81 9.949 -3.351 -6.981 1.00 0.00 N ATOM 1001 CA ASP A 81 9.062 -4.490 -6.805 1.00 0.00 C ATOM 1002 C ASP A 81 8.917 -4.825 -5.326 1.00 0.00 C ATOM 1003 O ASP A 81 9.893 -5.175 -4.661 1.00 0.00 O ATOM 1004 CB ASP A 81 9.595 -5.706 -7.568 1.00 0.00 C ATOM 1005 CG ASP A 81 9.024 -5.805 -8.969 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.867 -5.379 -9.170 1.00 0.00 O ATOM 1007 OD2 ASP A 81 9.733 -6.308 -9.864 1.00 0.00 O ATOM 0 H ASP A 81 10.916 -3.599 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 81 8.082 -4.228 -7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.682 -5.648 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.353 -6.613 -7.015 1.00 0.00 H new ATOM 1012 N LEU A 82 7.696 -4.714 -4.816 1.00 0.00 N ATOM 1013 CA LEU A 82 7.427 -5.006 -3.411 1.00 0.00 C ATOM 1014 C LEU A 82 7.137 -6.490 -3.203 1.00 0.00 C ATOM 1015 O LEU A 82 6.568 -6.880 -2.183 1.00 0.00 O ATOM 1016 CB LEU A 82 6.245 -4.173 -2.913 1.00 0.00 C ATOM 1017 CG LEU A 82 6.193 -2.737 -3.438 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.769 -2.212 -3.402 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.115 -1.840 -2.625 1.00 0.00 C ATOM 0 H LEU A 82 6.878 -4.425 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 82 8.317 -4.746 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.321 -4.679 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.275 -4.144 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 82 6.535 -2.733 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.749 -1.189 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.133 -2.841 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.401 -2.228 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.066 -0.822 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.802 -1.847 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.138 -2.207 -2.699 1.00 0.00 H new ATOM 1031 N ALA A 83 7.530 -7.314 -4.169 1.00 0.00 N ATOM 1032 CA ALA A 83 7.308 -8.750 -4.081 1.00 0.00 C ATOM 1033 C ALA A 83 8.546 -9.461 -3.547 1.00 0.00 C ATOM 1034 O ALA A 83 9.283 -10.097 -4.300 1.00 0.00 O ATOM 1035 CB ALA A 83 6.914 -9.311 -5.438 1.00 0.00 C ATOM 0 H ALA A 83 8.003 -7.011 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 83 6.490 -8.925 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.752 -10.386 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.996 -8.831 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.711 -9.119 -6.156 1.00 0.00 H new ATOM 1041 N GLY A 84 8.770 -9.342 -2.243 1.00 0.00 N ATOM 1042 CA GLY A 84 9.922 -9.974 -1.626 1.00 0.00 C ATOM 1043 C GLY A 84 10.562 -9.105 -0.559 1.00 0.00 C ATOM 1044 O GLY A 84 11.358 -9.584 0.245 1.00 0.00 O ATOM 0 H GLY A 84 8.174 -8.819 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.618 -10.922 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.661 -10.203 -2.394 1.00 0.00 H new ATOM 1048 N LYS A 85 10.213 -7.819 -0.553 1.00 0.00 N ATOM 1049 CA LYS A 85 10.761 -6.885 0.422 1.00 0.00 C ATOM 1050 C LYS A 85 10.159 -7.127 1.810 1.00 0.00 C ATOM 1051 O LYS A 85 10.635 -7.983 2.557 1.00 0.00 O ATOM 1052 CB LYS A 85 10.510 -5.442 -0.030 1.00 0.00 C ATOM 1053 CG LYS A 85 11.331 -5.025 -1.237 1.00 0.00 C ATOM 1054 CD LYS A 85 11.781 -3.577 -1.129 1.00 0.00 C ATOM 1055 CE LYS A 85 12.502 -3.119 -2.386 1.00 0.00 C ATOM 1056 NZ LYS A 85 13.981 -3.144 -2.219 1.00 0.00 N ATOM 0 H LYS A 85 9.555 -7.404 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 85 11.836 -7.049 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.452 -5.323 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.731 -4.768 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.203 -5.673 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.741 -5.157 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.915 -2.939 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.441 -3.464 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.220 -3.761 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.183 -2.108 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.435 -2.825 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.253 -2.512 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.290 -4.113 -2.002 1.00 0.00 H new ATOM 1070 N SER A 86 9.114 -6.369 2.150 1.00 0.00 N ATOM 1071 CA SER A 86 8.441 -6.493 3.444 1.00 0.00 C ATOM 1072 C SER A 86 7.572 -5.267 3.700 1.00 0.00 C ATOM 1073 O SER A 86 7.674 -4.269 2.989 1.00 0.00 O ATOM 1074 CB SER A 86 9.460 -6.656 4.578 1.00 0.00 C ATOM 1075 OG SER A 86 9.418 -7.967 5.117 1.00 0.00 O ATOM 0 H SER A 86 8.713 -5.657 1.540 1.00 0.00 H new ATOM 0 HA SER A 86 7.811 -7.382 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.462 -6.445 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.254 -5.929 5.364 1.00 0.00 H new ATOM 0 HG SER A 86 9.849 -8.590 4.495 1.00 0.00 H new ATOM 1081 N GLN A 87 6.725 -5.338 4.720 1.00 0.00 N ATOM 1082 CA GLN A 87 5.856 -4.218 5.054 1.00 0.00 C ATOM 1083 C GLN A 87 6.681 -3.066 5.589 1.00 0.00 C ATOM 1084 O GLN A 87 6.622 -1.953 5.070 1.00 0.00 O ATOM 1085 CB GLN A 87 4.798 -4.632 6.079 1.00 0.00 C ATOM 1086 CG GLN A 87 3.537 -3.784 6.015 1.00 0.00 C ATOM 1087 CD GLN A 87 2.907 -3.567 7.376 1.00 0.00 C ATOM 1088 OE1 GLN A 87 3.551 -3.750 8.409 1.00 0.00 O ATOM 1089 NE2 GLN A 87 1.639 -3.173 7.382 1.00 0.00 N ATOM 0 H GLN A 87 6.622 -6.153 5.325 1.00 0.00 H new ATOM 0 HA GLN A 87 5.342 -3.899 4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.534 -5.677 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.224 -4.563 7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.777 -2.817 5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.814 -4.266 5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.144 -3.034 6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.160 -3.010 8.268 1.00 0.00 H new ATOM 1098 N GLU A 88 7.473 -3.343 6.612 1.00 0.00 N ATOM 1099 CA GLU A 88 8.335 -2.328 7.192 1.00 0.00 C ATOM 1100 C GLU A 88 9.326 -1.847 6.144 1.00 0.00 C ATOM 1101 O GLU A 88 9.743 -0.689 6.148 1.00 0.00 O ATOM 1102 CB GLU A 88 9.074 -2.876 8.414 1.00 0.00 C ATOM 1103 CG GLU A 88 8.388 -2.558 9.734 1.00 0.00 C ATOM 1104 CD GLU A 88 8.367 -1.073 10.037 1.00 0.00 C ATOM 1105 OE1 GLU A 88 9.426 -0.424 9.902 1.00 0.00 O ATOM 1106 OE2 GLU A 88 7.291 -0.558 10.410 1.00 0.00 O ATOM 0 H GLU A 88 7.536 -4.259 7.056 1.00 0.00 H new ATOM 0 HA GLU A 88 7.722 -1.489 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.170 -3.957 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.084 -2.467 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.365 -2.934 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.900 -3.083 10.541 1.00 0.00 H new ATOM 1113 N GLU A 89 9.683 -2.746 5.229 1.00 0.00 N ATOM 1114 CA GLU A 89 10.604 -2.412 4.156 1.00 0.00 C ATOM 1115 C GLU A 89 9.933 -1.458 3.183 1.00 0.00 C ATOM 1116 O GLU A 89 10.433 -0.367 2.907 1.00 0.00 O ATOM 1117 CB GLU A 89 11.037 -3.683 3.424 1.00 0.00 C ATOM 1118 CG GLU A 89 12.507 -3.995 3.585 1.00 0.00 C ATOM 1119 CD GLU A 89 12.841 -5.440 3.263 1.00 0.00 C ATOM 1120 OE1 GLU A 89 12.920 -5.777 2.063 1.00 0.00 O ATOM 1121 OE2 GLU A 89 13.021 -6.233 4.210 1.00 0.00 O ATOM 0 H GLU A 89 9.347 -3.709 5.213 1.00 0.00 H new ATOM 0 HA GLU A 89 11.485 -1.931 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.452 -4.524 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.809 -3.578 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.086 -3.340 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.810 -3.776 4.609 1.00 0.00 H new ATOM 1128 N VAL A 90 8.781 -1.883 2.685 1.00 0.00 N ATOM 1129 CA VAL A 90 7.998 -1.085 1.751 1.00 0.00 C ATOM 1130 C VAL A 90 7.666 0.275 2.355 1.00 0.00 C ATOM 1131 O VAL A 90 7.818 1.312 1.705 1.00 0.00 O ATOM 1132 CB VAL A 90 6.693 -1.810 1.359 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.812 -0.920 0.490 1.00 0.00 C ATOM 1134 CG2 VAL A 90 7.005 -3.114 0.642 1.00 0.00 C ATOM 0 H VAL A 90 8.364 -2.785 2.915 1.00 0.00 H new ATOM 0 HA VAL A 90 8.600 -0.941 0.854 1.00 0.00 H new ATOM 0 HB VAL A 90 6.144 -2.037 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.899 -1.456 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.556 -0.014 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.350 -0.653 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.074 -3.613 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.579 -2.905 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.586 -3.761 1.299 1.00 0.00 H new ATOM 1144 N VAL A 91 7.229 0.264 3.610 1.00 0.00 N ATOM 1145 CA VAL A 91 6.897 1.493 4.307 1.00 0.00 C ATOM 1146 C VAL A 91 8.140 2.360 4.453 1.00 0.00 C ATOM 1147 O VAL A 91 8.062 3.587 4.434 1.00 0.00 O ATOM 1148 CB VAL A 91 6.299 1.210 5.700 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.853 2.503 6.365 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.139 0.231 5.595 1.00 0.00 C ATOM 0 H VAL A 91 7.098 -0.584 4.162 1.00 0.00 H new ATOM 0 HA VAL A 91 6.147 2.018 3.715 1.00 0.00 H new ATOM 0 HB VAL A 91 7.073 0.758 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.434 2.282 7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.709 3.168 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.096 2.987 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.730 0.044 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.363 0.653 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.492 -0.706 5.165 1.00 0.00 H new ATOM 1160 N SER A 92 9.291 1.709 4.583 1.00 0.00 N ATOM 1161 CA SER A 92 10.558 2.415 4.714 1.00 0.00 C ATOM 1162 C SER A 92 10.866 3.188 3.438 1.00 0.00 C ATOM 1163 O SER A 92 11.433 4.280 3.482 1.00 0.00 O ATOM 1164 CB SER A 92 11.689 1.432 5.019 1.00 0.00 C ATOM 1165 OG SER A 92 12.875 2.116 5.384 1.00 0.00 O ATOM 0 H SER A 92 9.371 0.692 4.600 1.00 0.00 H new ATOM 0 HA SER A 92 10.476 3.120 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.387 0.765 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.879 0.809 4.145 1.00 0.00 H new ATOM 0 HG SER A 92 13.582 1.465 5.575 1.00 0.00 H new ATOM 1171 N LEU A 93 10.482 2.618 2.298 1.00 0.00 N ATOM 1172 CA LEU A 93 10.711 3.266 1.010 1.00 0.00 C ATOM 1173 C LEU A 93 9.872 4.527 0.898 1.00 0.00 C ATOM 1174 O LEU A 93 10.383 5.607 0.603 1.00 0.00 O ATOM 1175 CB LEU A 93 10.373 2.328 -0.151 1.00 0.00 C ATOM 1176 CG LEU A 93 10.683 0.855 0.089 1.00 0.00 C ATOM 1177 CD1 LEU A 93 10.184 0.007 -1.070 1.00 0.00 C ATOM 1178 CD2 LEU A 93 12.174 0.649 0.302 1.00 0.00 C ATOM 0 H LEU A 93 10.013 1.714 2.240 1.00 0.00 H new ATOM 0 HA LEU A 93 11.769 3.524 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.312 2.426 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.920 2.658 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 93 10.162 0.538 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.415 -1.041 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.106 0.128 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.673 0.325 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.375 -0.409 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.717 0.984 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.501 1.224 1.169 1.00 0.00 H new ATOM 1190 N LEU A 94 8.574 4.381 1.143 1.00 0.00 N ATOM 1191 CA LEU A 94 7.657 5.513 1.074 1.00 0.00 C ATOM 1192 C LEU A 94 7.939 6.498 2.206 1.00 0.00 C ATOM 1193 O LEU A 94 7.787 7.707 2.042 1.00 0.00 O ATOM 1194 CB LEU A 94 6.204 5.031 1.127 1.00 0.00 C ATOM 1195 CG LEU A 94 5.712 4.581 2.503 1.00 0.00 C ATOM 1196 CD1 LEU A 94 5.267 5.779 3.326 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.579 3.577 2.355 1.00 0.00 C ATOM 0 H LEU A 94 8.135 3.494 1.390 1.00 0.00 H new ATOM 0 HA LEU A 94 7.813 6.027 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.559 5.836 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.089 4.201 0.429 1.00 0.00 H new ATOM 0 HG LEU A 94 6.535 4.095 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.920 5.441 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.106 6.463 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.456 6.293 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.238 3.265 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.752 4.038 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.934 2.707 1.802 1.00 0.00 H new ATOM 1209 N ARG A 95 8.360 5.975 3.351 1.00 0.00 N ATOM 1210 CA ARG A 95 8.682 6.815 4.499 1.00 0.00 C ATOM 1211 C ARG A 95 9.991 7.563 4.263 1.00 0.00 C ATOM 1212 O ARG A 95 10.185 8.672 4.762 1.00 0.00 O ATOM 1213 CB ARG A 95 8.779 5.976 5.774 1.00 0.00 C ATOM 1214 CG ARG A 95 7.432 5.691 6.419 1.00 0.00 C ATOM 1215 CD ARG A 95 7.532 5.684 7.936 1.00 0.00 C ATOM 1216 NE ARG A 95 6.246 5.967 8.569 1.00 0.00 N ATOM 1217 CZ ARG A 95 5.716 7.185 8.661 1.00 0.00 C ATOM 1218 NH1 ARG A 95 6.358 8.233 8.160 1.00 0.00 N ATOM 1219 NH2 ARG A 95 4.544 7.356 9.254 1.00 0.00 N ATOM 0 H ARG A 95 8.486 4.975 3.510 1.00 0.00 H new ATOM 0 HA ARG A 95 7.879 7.542 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.268 5.030 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.414 6.494 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.710 6.444 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.058 4.727 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.895 4.713 8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.264 6.426 8.255 1.00 0.00 H new ATOM 0 HE ARG A 95 5.723 5.185 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.261 8.107 7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.949 9.164 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.046 6.554 9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.139 8.290 9.324 1.00 0.00 H new ATOM 1233 N SER A 96 10.890 6.939 3.506 1.00 0.00 N ATOM 1234 CA SER A 96 12.188 7.533 3.204 1.00 0.00 C ATOM 1235 C SER A 96 12.031 8.840 2.436 1.00 0.00 C ATOM 1236 O SER A 96 12.782 9.791 2.650 1.00 0.00 O ATOM 1237 CB SER A 96 13.047 6.555 2.399 1.00 0.00 C ATOM 1238 OG SER A 96 14.277 7.147 2.022 1.00 0.00 O ATOM 0 H SER A 96 10.742 6.020 3.090 1.00 0.00 H new ATOM 0 HA SER A 96 12.684 7.750 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.237 5.660 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.505 6.238 1.508 1.00 0.00 H new ATOM 0 HG SER A 96 14.808 6.501 1.510 1.00 0.00 H new ATOM 1244 N THR A 97 11.047 8.881 1.541 1.00 0.00 N ATOM 1245 CA THR A 97 10.789 10.076 0.741 1.00 0.00 C ATOM 1246 C THR A 97 10.753 11.317 1.629 1.00 0.00 C ATOM 1247 O THR A 97 10.109 11.325 2.677 1.00 0.00 O ATOM 1248 CB THR A 97 9.468 9.932 -0.020 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.872 8.675 0.245 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.615 10.051 -1.521 1.00 0.00 C ATOM 0 H THR A 97 10.416 8.102 1.352 1.00 0.00 H new ATOM 0 HA THR A 97 11.598 10.189 0.020 1.00 0.00 H new ATOM 0 HB THR A 97 8.848 10.755 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.457 8.690 1.133 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.639 9.939 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.028 11.029 -1.770 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.285 9.271 -1.884 1.00 0.00 H new ATOM 1258 N LYS A 98 11.458 12.359 1.206 1.00 0.00 N ATOM 1259 CA LYS A 98 11.516 13.602 1.970 1.00 0.00 C ATOM 1260 C LYS A 98 10.531 14.628 1.422 1.00 0.00 C ATOM 1261 O LYS A 98 9.881 14.399 0.403 1.00 0.00 O ATOM 1262 CB LYS A 98 12.934 14.177 1.938 1.00 0.00 C ATOM 1263 CG LYS A 98 13.989 13.216 2.463 1.00 0.00 C ATOM 1264 CD LYS A 98 14.649 12.441 1.335 1.00 0.00 C ATOM 1265 CE LYS A 98 16.144 12.283 1.565 1.00 0.00 C ATOM 1266 NZ LYS A 98 16.766 11.361 0.576 1.00 0.00 N ATOM 0 H LYS A 98 11.997 12.370 0.340 1.00 0.00 H new ATOM 0 HA LYS A 98 11.242 13.377 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.183 14.453 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.960 15.092 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.746 13.772 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.531 12.519 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.187 11.457 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.478 12.956 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 98 16.625 13.259 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.318 11.905 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.785 11.282 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.325 10.422 0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.623 11.734 -0.384 1.00 0.00 H new ATOM 1280 N MET A 99 10.428 15.765 2.108 1.00 0.00 N ATOM 1281 CA MET A 99 9.524 16.833 1.692 1.00 0.00 C ATOM 1282 C MET A 99 9.746 17.182 0.223 1.00 0.00 C ATOM 1283 O MET A 99 10.863 17.078 -0.284 1.00 0.00 O ATOM 1284 CB MET A 99 9.730 18.076 2.561 1.00 0.00 C ATOM 1285 CG MET A 99 9.595 17.808 4.053 1.00 0.00 C ATOM 1286 SD MET A 99 7.903 17.997 4.643 1.00 0.00 S ATOM 1287 CE MET A 99 7.615 16.382 5.359 1.00 0.00 C ATOM 0 H MET A 99 10.960 15.969 2.954 1.00 0.00 H new ATOM 0 HA MET A 99 8.500 16.481 1.817 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.720 18.487 2.363 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.005 18.836 2.270 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.940 16.797 4.269 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.245 18.490 4.601 1.00 0.00 H new ATOM 0 HE1 MET A 99 6.883 16.465 6.162 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.237 15.706 4.592 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.550 15.990 5.760 1.00 0.00 H new ATOM 1297 N GLU A 100 8.679 17.584 -0.461 1.00 0.00 N ATOM 1298 CA GLU A 100 8.771 17.932 -1.875 1.00 0.00 C ATOM 1299 C GLU A 100 9.360 16.767 -2.664 1.00 0.00 C ATOM 1300 O GLU A 100 10.553 16.747 -2.968 1.00 0.00 O ATOM 1301 CB GLU A 100 9.630 19.184 -2.064 1.00 0.00 C ATOM 1302 CG GLU A 100 9.161 20.371 -1.239 1.00 0.00 C ATOM 1303 CD GLU A 100 10.300 21.067 -0.520 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.894 21.995 -1.108 1.00 0.00 O ATOM 1305 OE2 GLU A 100 10.597 20.685 0.631 1.00 0.00 O ATOM 0 H GLU A 100 7.745 17.677 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 100 7.768 18.141 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.661 18.951 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.628 19.461 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.657 21.085 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.427 20.033 -0.508 1.00 0.00 H new ATOM 1312 N GLY A 101 8.514 15.797 -2.980 1.00 0.00 N ATOM 1313 CA GLY A 101 8.950 14.633 -3.716 1.00 0.00 C ATOM 1314 C GLY A 101 7.805 13.684 -3.975 1.00 0.00 C ATOM 1315 O GLY A 101 7.306 13.032 -3.056 1.00 0.00 O ATOM 0 H GLY A 101 7.524 15.799 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.389 14.944 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.731 14.119 -3.157 1.00 0.00 H new ATOM 1319 N THR A 102 7.378 13.618 -5.224 1.00 0.00 N ATOM 1320 CA THR A 102 6.270 12.758 -5.606 1.00 0.00 C ATOM 1321 C THR A 102 6.664 11.289 -5.525 1.00 0.00 C ATOM 1322 O THR A 102 7.531 10.822 -6.264 1.00 0.00 O ATOM 1323 CB THR A 102 5.808 13.093 -7.025 1.00 0.00 C ATOM 1324 OG1 THR A 102 6.139 14.430 -7.360 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.317 12.922 -7.227 1.00 0.00 C ATOM 0 H THR A 102 7.783 14.151 -5.994 1.00 0.00 H new ATOM 0 HA THR A 102 5.451 12.933 -4.909 1.00 0.00 H new ATOM 0 HB THR A 102 6.328 12.385 -7.671 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.836 14.623 -8.272 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.058 13.176 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.039 11.887 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.779 13.580 -6.544 1.00 0.00 H new ATOM 1333 N VAL A 103 6.014 10.567 -4.619 1.00 0.00 N ATOM 1334 CA VAL A 103 6.281 9.147 -4.430 1.00 0.00 C ATOM 1335 C VAL A 103 5.307 8.316 -5.256 1.00 0.00 C ATOM 1336 O VAL A 103 4.092 8.421 -5.090 1.00 0.00 O ATOM 1337 CB VAL A 103 6.160 8.734 -2.946 1.00 0.00 C ATOM 1338 CG1 VAL A 103 7.087 7.571 -2.631 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.444 9.913 -2.024 1.00 0.00 C ATOM 0 H VAL A 103 5.295 10.945 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 103 7.304 8.963 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 103 5.134 8.410 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.984 7.298 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.824 6.717 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.118 7.863 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.352 9.594 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.455 10.279 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.729 10.711 -2.223 1.00 0.00 H new ATOM 1349 N SER A 104 5.843 7.498 -6.154 1.00 0.00 N ATOM 1350 CA SER A 104 5.011 6.661 -7.010 1.00 0.00 C ATOM 1351 C SER A 104 4.632 5.369 -6.298 1.00 0.00 C ATOM 1352 O SER A 104 5.487 4.678 -5.747 1.00 0.00 O ATOM 1353 CB SER A 104 5.740 6.347 -8.317 1.00 0.00 C ATOM 1354 OG SER A 104 7.074 5.937 -8.070 1.00 0.00 O ATOM 0 H SER A 104 6.846 7.396 -6.308 1.00 0.00 H new ATOM 0 HA SER A 104 4.097 7.210 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.208 5.562 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.740 7.228 -8.958 1.00 0.00 H new ATOM 0 HG SER A 104 7.519 5.740 -8.921 1.00 0.00 H new ATOM 1360 N LEU A 105 3.342 5.053 -6.309 1.00 0.00 N ATOM 1361 CA LEU A 105 2.850 3.847 -5.659 1.00 0.00 C ATOM 1362 C LEU A 105 1.869 3.098 -6.554 1.00 0.00 C ATOM 1363 O LEU A 105 0.756 3.563 -6.800 1.00 0.00 O ATOM 1364 CB LEU A 105 2.175 4.197 -4.332 1.00 0.00 C ATOM 1365 CG LEU A 105 2.922 5.218 -3.474 1.00 0.00 C ATOM 1366 CD1 LEU A 105 1.941 6.137 -2.763 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.821 4.512 -2.470 1.00 0.00 C ATOM 0 H LEU A 105 2.620 5.615 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 105 3.705 3.199 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.177 4.582 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.050 3.282 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 105 3.548 5.826 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.491 6.857 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.340 6.668 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.288 5.546 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.346 5.253 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.215 3.879 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.547 3.897 -3.001 1.00 0.00 H new ATOM 1379 N LEU A 106 2.288 1.931 -7.027 1.00 0.00 N ATOM 1380 CA LEU A 106 1.441 1.107 -7.879 1.00 0.00 C ATOM 1381 C LEU A 106 0.512 0.257 -7.024 1.00 0.00 C ATOM 1382 O LEU A 106 0.963 -0.473 -6.142 1.00 0.00 O ATOM 1383 CB LEU A 106 2.296 0.211 -8.777 1.00 0.00 C ATOM 1384 CG LEU A 106 1.515 -0.613 -9.802 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.129 0.247 -10.994 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.333 -1.815 -10.252 1.00 0.00 C ATOM 0 H LEU A 106 3.208 1.534 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 106 0.842 1.761 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.016 0.835 -9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.868 -0.470 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 106 0.601 -0.975 -9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.574 -0.356 -11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.506 1.076 -10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.030 0.638 -11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.763 -2.391 -10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.263 -1.473 -10.707 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.560 -2.444 -9.391 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.788 0.361 -7.278 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.772 -0.397 -6.514 1.00 0.00 C ATOM 1400 C VAL A 107 -2.533 -1.375 -7.403 1.00 0.00 C ATOM 1401 O VAL A 107 -2.448 -1.312 -8.630 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.773 0.543 -5.808 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -2.033 1.607 -5.012 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.717 1.185 -6.816 1.00 0.00 C ATOM 0 H VAL A 107 -1.183 0.960 -8.003 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.224 -0.962 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.370 -0.051 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.754 2.261 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.406 1.128 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.408 2.195 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.413 1.843 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.140 1.765 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.275 0.408 -7.339 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.281 -2.274 -6.774 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.062 -3.263 -7.506 1.00 0.00 C ATOM 1416 C PHE A 108 -5.462 -3.389 -6.916 1.00 0.00 C ATOM 1417 O PHE A 108 -5.624 -3.704 -5.737 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.360 -4.621 -7.482 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.013 -5.650 -8.360 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.155 -6.314 -7.940 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -3.485 -5.954 -9.605 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -5.759 -7.261 -8.746 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.085 -6.899 -10.415 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.223 -7.553 -9.985 1.00 0.00 C ATOM 0 H PHE A 108 -3.363 -2.338 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.150 -2.929 -8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.325 -4.491 -7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.338 -4.991 -6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.578 -6.089 -6.972 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.595 -5.447 -9.946 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.648 -7.772 -8.407 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.665 -7.126 -11.384 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.693 -8.292 -10.617 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.471 -3.142 -7.743 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.859 -3.227 -7.303 1.00 0.00 C ATOM 1436 C ARG A 109 -8.551 -4.441 -7.916 1.00 0.00 C ATOM 1437 O ARG A 109 -8.330 -4.771 -9.081 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.614 -1.951 -7.681 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.874 -1.726 -6.862 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.365 -0.291 -6.979 1.00 0.00 C ATOM 1441 NE ARG A 109 -9.395 0.663 -6.445 1.00 0.00 N ATOM 1442 CZ ARG A 109 -9.667 1.947 -6.217 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -10.876 2.431 -6.475 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -8.729 2.746 -5.730 1.00 0.00 N ATOM 0 H ARG A 109 -6.354 -2.881 -8.722 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.864 -3.337 -6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.951 -1.095 -7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.880 -1.995 -8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.655 -2.408 -7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.676 -1.960 -5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.563 -0.060 -8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.309 -0.186 -6.445 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.455 0.326 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.601 1.819 -6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.080 3.415 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.799 2.378 -5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.937 3.729 -5.555 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.390 -5.100 -7.124 1.00 0.00 N ATOM 1459 CA GLN A 110 -10.114 -6.276 -7.588 1.00 0.00 C ATOM 1460 C GLN A 110 -11.454 -5.882 -8.204 1.00 0.00 C ATOM 1461 O GLN A 110 -12.150 -5.007 -7.691 1.00 0.00 O ATOM 1462 CB GLN A 110 -10.339 -7.252 -6.430 1.00 0.00 C ATOM 1463 CG GLN A 110 -10.129 -8.709 -6.814 1.00 0.00 C ATOM 1464 CD GLN A 110 -10.523 -9.665 -5.706 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -11.254 -9.300 -4.785 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -10.039 -10.899 -5.789 1.00 0.00 N ATOM 0 H GLN A 110 -9.585 -4.839 -6.157 1.00 0.00 H new ATOM 0 HA GLN A 110 -9.512 -6.764 -8.354 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.661 -6.998 -5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -11.354 -7.127 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -10.712 -8.933 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -9.081 -8.866 -7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -9.436 -11.159 -6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -10.270 -11.587 -5.072 1.00 0.00 H new ATOM 1475 N GLU A 111 -11.808 -6.535 -9.306 1.00 0.00 N ATOM 1476 CA GLU A 111 -13.064 -6.251 -9.989 1.00 0.00 C ATOM 1477 C GLU A 111 -14.207 -7.058 -9.381 1.00 0.00 C ATOM 1478 O GLU A 111 -14.014 -8.189 -8.938 1.00 0.00 O ATOM 1479 CB GLU A 111 -12.941 -6.567 -11.482 1.00 0.00 C ATOM 1480 CG GLU A 111 -14.094 -6.033 -12.314 1.00 0.00 C ATOM 1481 CD GLU A 111 -13.783 -4.690 -12.949 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -12.920 -3.965 -12.410 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -14.402 -4.366 -13.983 1.00 0.00 O ATOM 0 H GLU A 111 -11.244 -7.263 -9.744 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.284 -5.191 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.008 -6.147 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.880 -7.647 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.337 -6.753 -13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.978 -5.937 -11.684 1.00 0.00 H new ATOM 1490 N GLU A 112 -15.397 -6.466 -9.363 1.00 0.00 N ATOM 1491 CA GLU A 112 -16.571 -7.128 -8.807 1.00 0.00 C ATOM 1492 C GLU A 112 -17.093 -8.200 -9.759 1.00 0.00 C ATOM 1493 O GLU A 112 -17.869 -7.909 -10.671 1.00 0.00 O ATOM 1494 CB GLU A 112 -17.671 -6.107 -8.517 1.00 0.00 C ATOM 1495 CG GLU A 112 -18.870 -6.694 -7.790 1.00 0.00 C ATOM 1496 CD GLU A 112 -19.633 -5.655 -6.993 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -20.563 -5.040 -7.555 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -19.301 -5.456 -5.805 1.00 0.00 O ATOM 0 H GLU A 112 -15.573 -5.530 -9.727 1.00 0.00 H new ATOM 0 HA GLU A 112 -16.277 -7.608 -7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -17.255 -5.297 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -18.006 -5.669 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -19.540 -7.155 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -18.533 -7.485 -7.120 1.00 0.00 H new ATOM 1505 N ALA A 113 -16.664 -9.439 -9.541 1.00 0.00 N ATOM 1506 CA ALA A 113 -17.087 -10.554 -10.377 1.00 0.00 C ATOM 1507 C ALA A 113 -17.915 -11.555 -9.580 1.00 0.00 C ATOM 1508 O ALA A 113 -18.311 -11.284 -8.447 1.00 0.00 O ATOM 1509 CB ALA A 113 -15.878 -11.239 -10.994 1.00 0.00 C ATOM 0 H ALA A 113 -16.022 -9.695 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 113 -17.714 -10.159 -11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -16.209 -12.070 -11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -15.328 -10.524 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -15.229 -11.614 -10.203 1.00 0.00 H new TER 1515 ALA A 113