USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 ASN : amide:sc= -6.5! C(o=-12!,f=-20!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -128:sc= -5.89! (180deg=-0.182) USER MOD Single : A 5 ASN : amide:sc= -1.85 X(o=-1.9,f=-1.8) USER MOD Single : A 8 SER OG : rot 30:sc= 0.462 USER MOD Single : A 11 ASN : amide:sc= -5.11! K(o=-5.1!,f=-1) USER MOD Single : A 15 ASN : amide:sc= -7.51! C(o=-7.5!,f=-8.3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.892 USER MOD Single : A 31 THR OG1 : rot -101:sc= -1.52! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -141:sc= -1.43! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.356 USER MOD Single : A 50 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-3.4!) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.319 USER MOD Single : A 56 ASN : amide:sc= -3.01! K(o=-3!,f=-1.6) USER MOD Single : A 69 THR OG1 : rot 32:sc= 0.266 USER MOD Single : A 73 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-0.11) USER MOD Single : A 75 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-2.4!) USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= -1.33 (180deg=-2.07) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 15:sc= 0.0995! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -169:sc= 0 (180deg=-0.141) USER MOD Single : A 98 ASN : amide:sc= -2.59 K(o=-2.6,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 4 -19.709 -1.654 -3.032 1.00 0.00 N ATOM 42 CA ASP A 4 -19.608 -2.742 -4.046 1.00 0.00 C ATOM 43 C ASP A 4 -18.334 -2.560 -4.875 1.00 0.00 C ATOM 44 O ASP A 4 -18.385 -2.290 -6.059 1.00 0.00 O ATOM 45 CB ASP A 4 -20.828 -2.694 -4.969 1.00 0.00 C ATOM 46 CG ASP A 4 -20.763 -3.856 -5.962 1.00 0.00 C ATOM 47 OD1 ASP A 4 -20.494 -4.965 -5.530 1.00 0.00 O ATOM 48 OD2 ASP A 4 -20.982 -3.616 -7.138 1.00 0.00 O ATOM 0 HA ASP A 4 -19.572 -3.706 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -21.744 -2.755 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.855 -1.745 -5.505 1.00 0.00 H new ATOM 53 N ASN A 5 -17.187 -2.706 -4.263 1.00 0.00 N ATOM 54 CA ASN A 5 -15.904 -2.543 -5.010 1.00 0.00 C ATOM 55 C ASN A 5 -14.805 -3.321 -4.285 1.00 0.00 C ATOM 56 O ASN A 5 -14.504 -3.064 -3.136 1.00 0.00 O ATOM 57 CB ASN A 5 -15.529 -1.061 -5.066 1.00 0.00 C ATOM 58 CG ASN A 5 -16.491 -0.324 -6.000 1.00 0.00 C ATOM 59 OD1 ASN A 5 -17.306 0.460 -5.557 1.00 0.00 O ATOM 60 ND2 ASN A 5 -16.429 -0.543 -7.285 1.00 0.00 N ATOM 0 H ASN A 5 -17.084 -2.932 -3.274 1.00 0.00 H new ATOM 0 HA ASN A 5 -16.017 -2.923 -6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.571 -0.627 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.504 -0.948 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -17.065 -0.056 -7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -15.745 -1.201 -7.658 1.00 0.00 H new ATOM 67 N GLU A 6 -14.206 -4.275 -4.947 1.00 0.00 N ATOM 68 CA GLU A 6 -13.129 -5.074 -4.293 1.00 0.00 C ATOM 69 C GLU A 6 -12.299 -5.793 -5.360 1.00 0.00 C ATOM 70 O GLU A 6 -12.749 -6.018 -6.466 1.00 0.00 O ATOM 71 CB GLU A 6 -13.762 -6.108 -3.360 1.00 0.00 C ATOM 72 CG GLU A 6 -14.671 -7.039 -4.167 1.00 0.00 C ATOM 73 CD GLU A 6 -15.491 -7.907 -3.211 1.00 0.00 C ATOM 74 OE1 GLU A 6 -14.891 -8.665 -2.467 1.00 0.00 O ATOM 75 OE2 GLU A 6 -16.706 -7.800 -3.240 1.00 0.00 O ATOM 0 H GLU A 6 -14.415 -4.535 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.482 -4.409 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.985 -6.686 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.337 -5.607 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.335 -6.454 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.072 -7.669 -4.824 1.00 0.00 H new ATOM 82 N ILE A 7 -11.084 -6.154 -5.034 1.00 0.00 N ATOM 83 CA ILE A 7 -10.205 -6.861 -6.017 1.00 0.00 C ATOM 84 C ILE A 7 -9.293 -7.835 -5.266 1.00 0.00 C ATOM 85 O ILE A 7 -9.119 -7.736 -4.067 1.00 0.00 O ATOM 86 CB ILE A 7 -9.356 -5.837 -6.774 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.606 -4.954 -5.770 1.00 0.00 C ATOM 88 CG2 ILE A 7 -10.264 -4.964 -7.644 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.775 -3.911 -6.522 1.00 0.00 C ATOM 0 H ILE A 7 -10.659 -5.988 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.819 -7.412 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.638 -6.357 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.314 -4.459 -5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.958 -5.568 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.660 -4.235 -8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.797 -5.592 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.983 -4.443 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.243 -3.285 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.056 -4.415 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.434 -3.289 -7.129 1.00 0.00 H new ATOM 101 N SER A 8 -8.711 -8.781 -5.960 1.00 0.00 N ATOM 102 CA SER A 8 -7.810 -9.772 -5.290 1.00 0.00 C ATOM 103 C SER A 8 -6.669 -10.150 -6.231 1.00 0.00 C ATOM 104 O SER A 8 -6.778 -10.047 -7.436 1.00 0.00 O ATOM 105 CB SER A 8 -8.610 -11.025 -4.935 1.00 0.00 C ATOM 106 OG SER A 8 -7.765 -11.947 -4.257 1.00 0.00 O ATOM 0 H SER A 8 -8.821 -8.911 -6.966 1.00 0.00 H new ATOM 0 HA SER A 8 -7.398 -9.329 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.459 -10.761 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.013 -11.481 -5.839 1.00 0.00 H new ATOM 0 HG SER A 8 -7.079 -11.456 -3.758 1.00 0.00 H new ATOM 112 N VAL A 9 -5.575 -10.596 -5.679 1.00 0.00 N ATOM 113 CA VAL A 9 -4.408 -11.000 -6.517 1.00 0.00 C ATOM 114 C VAL A 9 -3.603 -12.058 -5.759 1.00 0.00 C ATOM 115 O VAL A 9 -2.864 -11.763 -4.844 1.00 0.00 O ATOM 116 CB VAL A 9 -3.534 -9.770 -6.828 1.00 0.00 C ATOM 117 CG1 VAL A 9 -3.123 -9.039 -5.530 1.00 0.00 C ATOM 118 CG2 VAL A 9 -2.280 -10.218 -7.590 1.00 0.00 C ATOM 0 H VAL A 9 -5.437 -10.699 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.753 -11.418 -7.463 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.113 -9.078 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.507 -8.175 -5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.016 -8.707 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.556 -9.718 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.659 -9.350 -7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.715 -10.922 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.574 -10.701 -8.522 1.00 0.00 H new ATOM 128 N GLY A 10 -3.761 -13.301 -6.122 1.00 0.00 N ATOM 129 CA GLY A 10 -3.023 -14.382 -5.412 1.00 0.00 C ATOM 130 C GLY A 10 -3.693 -14.637 -4.061 1.00 0.00 C ATOM 131 O GLY A 10 -4.784 -15.169 -3.994 1.00 0.00 O ATOM 0 H GLY A 10 -4.369 -13.614 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.023 -15.293 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.981 -14.095 -5.268 1.00 0.00 H new ATOM 135 N ASN A 11 -3.043 -14.266 -2.982 1.00 0.00 N ATOM 136 CA ASN A 11 -3.622 -14.481 -1.613 1.00 0.00 C ATOM 137 C ASN A 11 -3.971 -13.133 -0.971 1.00 0.00 C ATOM 138 O ASN A 11 -4.362 -13.071 0.180 1.00 0.00 O ATOM 139 CB ASN A 11 -2.590 -15.203 -0.742 1.00 0.00 C ATOM 140 CG ASN A 11 -1.240 -14.491 -0.849 1.00 0.00 C ATOM 141 OD1 ASN A 11 -0.723 -13.994 0.133 1.00 0.00 O ATOM 142 ND2 ASN A 11 -0.643 -14.421 -2.007 1.00 0.00 N ATOM 0 H ASN A 11 -2.126 -13.819 -2.990 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.528 -15.081 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.923 -15.219 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.492 -16.240 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.258 -13.949 -2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.077 -14.838 -2.831 1.00 0.00 H new ATOM 149 N LEU A 12 -3.823 -12.047 -1.699 1.00 0.00 N ATOM 150 CA LEU A 12 -4.137 -10.695 -1.132 1.00 0.00 C ATOM 151 C LEU A 12 -5.535 -10.268 -1.598 1.00 0.00 C ATOM 152 O LEU A 12 -5.812 -10.227 -2.780 1.00 0.00 O ATOM 153 CB LEU A 12 -3.100 -9.677 -1.644 1.00 0.00 C ATOM 154 CG LEU A 12 -1.797 -9.790 -0.842 1.00 0.00 C ATOM 155 CD1 LEU A 12 -1.151 -11.162 -1.073 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.835 -8.687 -1.291 1.00 0.00 C ATOM 0 H LEU A 12 -3.497 -12.041 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.106 -10.735 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.900 -9.853 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.500 -8.667 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.017 -9.680 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.227 -11.230 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.837 -11.946 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.929 -11.286 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.093 -8.761 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.622 -8.800 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.291 -7.713 -1.114 1.00 0.00 H new ATOM 168 N ARG A 13 -6.409 -9.940 -0.673 1.00 0.00 N ATOM 169 CA ARG A 13 -7.798 -9.499 -1.040 1.00 0.00 C ATOM 170 C ARG A 13 -8.011 -8.067 -0.544 1.00 0.00 C ATOM 171 O ARG A 13 -7.801 -7.766 0.613 1.00 0.00 O ATOM 172 CB ARG A 13 -8.821 -10.431 -0.389 1.00 0.00 C ATOM 173 CG ARG A 13 -8.787 -11.794 -1.086 1.00 0.00 C ATOM 174 CD ARG A 13 -9.726 -12.762 -0.364 1.00 0.00 C ATOM 175 NE ARG A 13 -9.844 -14.020 -1.154 1.00 0.00 N ATOM 176 CZ ARG A 13 -10.522 -15.029 -0.680 1.00 0.00 C ATOM 177 NH1 ARG A 13 -11.098 -14.938 0.488 1.00 0.00 N ATOM 178 NH2 ARG A 13 -10.623 -16.130 -1.373 1.00 0.00 N ATOM 0 H ARG A 13 -6.219 -9.959 0.329 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.924 -9.535 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.599 -10.548 0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.819 -9.999 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.088 -11.689 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.771 -12.189 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.344 -12.980 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.708 -12.306 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.394 -14.092 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.018 -14.078 1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.628 -15.727 0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.172 -16.202 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.153 -16.919 -1.003 1.00 0.00 H new ATOM 192 N LEU A 14 -8.412 -7.181 -1.427 1.00 0.00 N ATOM 193 CA LEU A 14 -8.635 -5.745 -1.051 1.00 0.00 C ATOM 194 C LEU A 14 -10.126 -5.413 -1.185 1.00 0.00 C ATOM 195 O LEU A 14 -10.678 -5.428 -2.268 1.00 0.00 O ATOM 196 CB LEU A 14 -7.804 -4.868 -2.014 1.00 0.00 C ATOM 197 CG LEU A 14 -7.567 -3.451 -1.432 1.00 0.00 C ATOM 198 CD1 LEU A 14 -6.341 -2.819 -2.104 1.00 0.00 C ATOM 199 CD2 LEU A 14 -8.784 -2.547 -1.685 1.00 0.00 C ATOM 0 H LEU A 14 -8.597 -7.395 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.329 -5.560 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.845 -5.348 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.320 -4.788 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.407 -3.545 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.175 -1.823 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.464 -3.439 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.512 -2.746 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.595 -1.558 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.957 -2.462 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.664 -2.980 -1.209 1.00 0.00 H new ATOM 211 N ASN A 15 -10.777 -5.103 -0.084 1.00 0.00 N ATOM 212 CA ASN A 15 -12.240 -4.752 -0.117 1.00 0.00 C ATOM 213 C ASN A 15 -12.416 -3.277 0.260 1.00 0.00 C ATOM 214 O ASN A 15 -12.359 -2.909 1.416 1.00 0.00 O ATOM 215 CB ASN A 15 -12.997 -5.625 0.891 1.00 0.00 C ATOM 216 CG ASN A 15 -13.080 -7.060 0.364 1.00 0.00 C ATOM 217 OD1 ASN A 15 -13.831 -7.865 0.876 1.00 0.00 O ATOM 218 ND2 ASN A 15 -12.334 -7.417 -0.646 1.00 0.00 N ATOM 0 H ASN A 15 -10.354 -5.078 0.844 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.634 -4.925 -1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.489 -5.609 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.999 -5.227 1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.383 -8.371 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.703 -6.742 -1.077 1.00 0.00 H new ATOM 225 N VAL A 16 -12.633 -2.435 -0.712 1.00 0.00 N ATOM 226 CA VAL A 16 -12.816 -0.982 -0.429 1.00 0.00 C ATOM 227 C VAL A 16 -14.201 -0.751 0.167 1.00 0.00 C ATOM 228 O VAL A 16 -14.423 0.185 0.909 1.00 0.00 O ATOM 229 CB VAL A 16 -12.696 -0.199 -1.734 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.737 1.301 -1.437 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.374 -0.548 -2.420 1.00 0.00 C ATOM 0 H VAL A 16 -12.692 -2.692 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.054 -0.648 0.276 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.526 -0.461 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.651 1.859 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.680 1.550 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.909 1.564 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.289 0.011 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.544 -0.288 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.346 -1.616 -2.634 1.00 0.00 H new ATOM 241 N THR A 17 -15.133 -1.598 -0.157 1.00 0.00 N ATOM 242 CA THR A 17 -16.514 -1.438 0.382 1.00 0.00 C ATOM 243 C THR A 17 -16.478 -1.513 1.911 1.00 0.00 C ATOM 244 O THR A 17 -16.954 -0.629 2.594 1.00 0.00 O ATOM 245 CB THR A 17 -17.420 -2.555 -0.179 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.420 -2.880 0.778 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.589 -3.807 -0.491 1.00 0.00 C ATOM 0 H THR A 17 -15.000 -2.399 -0.775 1.00 0.00 H new ATOM 0 HA THR A 17 -16.913 -0.470 0.081 1.00 0.00 H new ATOM 0 HB THR A 17 -17.888 -2.201 -1.097 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.996 -3.588 0.421 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.240 -4.587 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.826 -3.562 -1.230 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.110 -4.162 0.421 1.00 0.00 H new ATOM 255 N ARG A 18 -15.915 -2.561 2.457 1.00 0.00 N ATOM 256 CA ARG A 18 -15.843 -2.692 3.946 1.00 0.00 C ATOM 257 C ARG A 18 -14.521 -2.101 4.426 1.00 0.00 C ATOM 258 O ARG A 18 -14.320 -1.869 5.600 1.00 0.00 O ATOM 259 CB ARG A 18 -15.915 -4.171 4.335 1.00 0.00 C ATOM 260 CG ARG A 18 -17.188 -4.797 3.750 1.00 0.00 C ATOM 261 CD ARG A 18 -17.463 -6.147 4.420 1.00 0.00 C ATOM 262 NE ARG A 18 -16.362 -7.101 4.095 1.00 0.00 N ATOM 263 CZ ARG A 18 -16.331 -7.696 2.933 1.00 0.00 C ATOM 264 NH1 ARG A 18 -17.258 -7.449 2.048 1.00 0.00 N ATOM 265 NH2 ARG A 18 -15.372 -8.538 2.656 1.00 0.00 N ATOM 0 H ARG A 18 -15.501 -3.334 1.936 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.676 -2.161 4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.036 -4.698 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.914 -4.272 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -18.035 -4.128 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -17.076 -4.932 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.540 -6.019 5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.417 -6.547 4.077 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.632 -7.289 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.007 -6.791 2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.233 -7.914 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.647 -8.731 3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.348 -9.003 1.748 1.00 0.00 H new ATOM 279 N ARG A 19 -13.621 -1.863 3.513 1.00 0.00 N ATOM 280 CA ARG A 19 -12.295 -1.287 3.878 1.00 0.00 C ATOM 281 C ARG A 19 -11.513 -2.303 4.724 1.00 0.00 C ATOM 282 O ARG A 19 -11.260 -2.092 5.894 1.00 0.00 O ATOM 283 CB ARG A 19 -12.500 0.029 4.666 1.00 0.00 C ATOM 284 CG ARG A 19 -11.253 0.939 4.542 1.00 0.00 C ATOM 285 CD ARG A 19 -11.343 1.801 3.275 1.00 0.00 C ATOM 286 NE ARG A 19 -12.562 2.656 3.344 1.00 0.00 N ATOM 287 CZ ARG A 19 -12.600 3.678 4.154 1.00 0.00 C ATOM 288 NH1 ARG A 19 -11.570 3.954 4.907 1.00 0.00 N ATOM 289 NH2 ARG A 19 -13.669 4.424 4.213 1.00 0.00 N ATOM 0 H ARG A 19 -13.749 -2.045 2.518 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.727 -1.068 2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.378 0.553 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.690 -0.195 5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.174 1.580 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.351 0.328 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.453 2.424 3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.381 1.165 2.391 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.368 2.442 2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.735 3.370 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.601 4.753 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.475 4.208 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.699 5.223 4.846 1.00 0.00 H new ATOM 303 N LEU A 20 -11.126 -3.406 4.134 1.00 0.00 N ATOM 304 CA LEU A 20 -10.356 -4.451 4.875 1.00 0.00 C ATOM 305 C LEU A 20 -9.324 -5.068 3.928 1.00 0.00 C ATOM 306 O LEU A 20 -9.458 -4.994 2.723 1.00 0.00 O ATOM 307 CB LEU A 20 -11.306 -5.554 5.364 1.00 0.00 C ATOM 308 CG LEU A 20 -12.248 -5.028 6.462 1.00 0.00 C ATOM 309 CD1 LEU A 20 -13.289 -6.108 6.775 1.00 0.00 C ATOM 310 CD2 LEU A 20 -11.456 -4.680 7.744 1.00 0.00 C ATOM 0 H LEU A 20 -11.314 -3.629 3.157 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.861 -3.996 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.893 -5.930 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.726 -6.393 5.749 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.739 -4.121 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.964 -5.749 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.860 -6.335 5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.785 -7.010 7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.142 -4.310 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.950 -5.572 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.717 -3.912 7.518 1.00 0.00 H new ATOM 322 N VAL A 21 -8.287 -5.670 4.463 1.00 0.00 N ATOM 323 CA VAL A 21 -7.233 -6.285 3.596 1.00 0.00 C ATOM 324 C VAL A 21 -6.738 -7.590 4.229 1.00 0.00 C ATOM 325 O VAL A 21 -6.223 -7.594 5.330 1.00 0.00 O ATOM 326 CB VAL A 21 -6.057 -5.310 3.484 1.00 0.00 C ATOM 327 CG1 VAL A 21 -5.105 -5.774 2.379 1.00 0.00 C ATOM 328 CG2 VAL A 21 -6.583 -3.909 3.160 1.00 0.00 C ATOM 0 H VAL A 21 -8.126 -5.761 5.466 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.648 -6.495 2.610 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.518 -5.283 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.270 -5.078 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.728 -6.768 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.639 -5.807 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.746 -3.215 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.125 -3.933 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.253 -3.579 3.954 1.00 0.00 H new ATOM 338 N TRP A 22 -6.867 -8.697 3.535 1.00 0.00 N ATOM 339 CA TRP A 22 -6.382 -10.004 4.086 1.00 0.00 C ATOM 340 C TRP A 22 -5.011 -10.314 3.485 1.00 0.00 C ATOM 341 O TRP A 22 -4.701 -9.915 2.378 1.00 0.00 O ATOM 342 CB TRP A 22 -7.351 -11.125 3.709 1.00 0.00 C ATOM 343 CG TRP A 22 -8.667 -10.905 4.380 1.00 0.00 C ATOM 344 CD1 TRP A 22 -9.098 -11.564 5.481 1.00 0.00 C ATOM 345 CD2 TRP A 22 -9.731 -9.982 4.013 1.00 0.00 C ATOM 346 NE1 TRP A 22 -10.359 -11.102 5.813 1.00 0.00 N ATOM 347 CE2 TRP A 22 -10.792 -10.127 4.938 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.877 -9.043 2.978 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.958 -9.366 4.838 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -11.047 -8.277 2.875 1.00 0.00 C ATOM 351 CH2 TRP A 22 -12.086 -8.438 3.803 1.00 0.00 C ATOM 0 H TRP A 22 -7.289 -8.752 2.608 1.00 0.00 H new ATOM 0 HA TRP A 22 -6.317 -9.935 5.172 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -7.484 -11.154 2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -6.938 -12.089 4.005 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -8.548 -12.326 6.013 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.902 -11.441 6.607 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.083 -8.910 2.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.755 -9.494 5.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.149 -7.558 2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.984 -7.845 3.717 1.00 0.00 H new ATOM 362 N LEU A 23 -4.191 -11.028 4.212 1.00 0.00 N ATOM 363 CA LEU A 23 -2.825 -11.389 3.717 1.00 0.00 C ATOM 364 C LEU A 23 -2.565 -12.854 4.060 1.00 0.00 C ATOM 365 O LEU A 23 -2.364 -13.201 5.205 1.00 0.00 O ATOM 366 CB LEU A 23 -1.794 -10.509 4.432 1.00 0.00 C ATOM 367 CG LEU A 23 -0.396 -10.724 3.831 1.00 0.00 C ATOM 368 CD1 LEU A 23 -0.323 -10.153 2.395 1.00 0.00 C ATOM 369 CD2 LEU A 23 0.640 -10.024 4.726 1.00 0.00 C ATOM 0 H LEU A 23 -4.412 -11.382 5.143 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.752 -11.237 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.078 -9.460 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.780 -10.746 5.496 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.187 -11.793 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.675 -10.316 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.057 -10.656 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.535 -9.084 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.637 -10.169 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.418 -8.958 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.600 -10.448 5.729 1.00 0.00 H new ATOM 381 N GLY A 24 -2.585 -13.725 3.092 1.00 0.00 N ATOM 382 CA GLY A 24 -2.357 -15.161 3.409 1.00 0.00 C ATOM 383 C GLY A 24 -3.564 -15.662 4.198 1.00 0.00 C ATOM 384 O GLY A 24 -3.437 -16.358 5.182 1.00 0.00 O ATOM 0 H GLY A 24 -2.747 -13.510 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.232 -15.739 2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.443 -15.283 3.990 1.00 0.00 H new ATOM 388 N GLU A 25 -4.735 -15.290 3.756 1.00 0.00 N ATOM 389 CA GLU A 25 -5.993 -15.705 4.442 1.00 0.00 C ATOM 390 C GLU A 25 -6.052 -15.109 5.854 1.00 0.00 C ATOM 391 O GLU A 25 -7.021 -15.296 6.563 1.00 0.00 O ATOM 392 CB GLU A 25 -6.082 -17.235 4.520 1.00 0.00 C ATOM 393 CG GLU A 25 -5.719 -17.844 3.163 1.00 0.00 C ATOM 394 CD GLU A 25 -6.053 -19.337 3.167 1.00 0.00 C ATOM 395 OE1 GLU A 25 -7.221 -19.663 3.299 1.00 0.00 O ATOM 396 OE2 GLU A 25 -5.134 -20.130 3.038 1.00 0.00 O ATOM 0 H GLU A 25 -4.875 -14.705 2.933 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.838 -15.331 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.407 -17.609 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.090 -17.536 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.268 -17.340 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.658 -17.699 2.959 1.00 0.00 H new ATOM 403 N THR A 26 -5.034 -14.380 6.273 1.00 0.00 N ATOM 404 CA THR A 26 -5.059 -13.764 7.648 1.00 0.00 C ATOM 405 C THR A 26 -5.442 -12.289 7.536 1.00 0.00 C ATOM 406 O THR A 26 -5.017 -11.595 6.638 1.00 0.00 O ATOM 407 CB THR A 26 -3.681 -13.871 8.305 1.00 0.00 C ATOM 408 OG1 THR A 26 -2.734 -13.131 7.548 1.00 0.00 O ATOM 409 CG2 THR A 26 -3.246 -15.336 8.381 1.00 0.00 C ATOM 0 H THR A 26 -4.194 -14.187 5.727 1.00 0.00 H new ATOM 0 HA THR A 26 -5.789 -14.297 8.257 1.00 0.00 H new ATOM 0 HB THR A 26 -3.737 -13.465 9.315 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.642 -13.531 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.264 -15.400 8.850 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.968 -15.900 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.195 -15.753 7.375 1.00 0.00 H new ATOM 417 N ALA A 27 -6.249 -11.807 8.438 1.00 0.00 N ATOM 418 CA ALA A 27 -6.670 -10.378 8.377 1.00 0.00 C ATOM 419 C ALA A 27 -5.467 -9.463 8.617 1.00 0.00 C ATOM 420 O ALA A 27 -4.887 -9.447 9.685 1.00 0.00 O ATOM 421 CB ALA A 27 -7.729 -10.115 9.450 1.00 0.00 C ATOM 0 H ALA A 27 -6.636 -12.340 9.216 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.083 -10.171 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.039 -9.071 9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.592 -10.757 9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.311 -10.330 10.434 1.00 0.00 H new ATOM 427 N LEU A 28 -5.096 -8.690 7.631 1.00 0.00 N ATOM 428 CA LEU A 28 -3.941 -7.759 7.791 1.00 0.00 C ATOM 429 C LEU A 28 -4.414 -6.528 8.573 1.00 0.00 C ATOM 430 O LEU A 28 -5.445 -5.958 8.276 1.00 0.00 O ATOM 431 CB LEU A 28 -3.444 -7.349 6.398 1.00 0.00 C ATOM 432 CG LEU A 28 -2.038 -6.718 6.467 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.979 -7.755 6.918 1.00 0.00 C ATOM 434 CD2 LEU A 28 -1.675 -6.183 5.071 1.00 0.00 C ATOM 0 H LEU A 28 -5.546 -8.664 6.716 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.126 -8.238 8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.421 -8.222 5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.142 -6.639 5.955 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.047 -5.910 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.001 -7.280 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.238 -8.134 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.954 -8.582 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.683 -5.733 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.680 -7.004 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.405 -5.433 4.768 1.00 0.00 H new ATOM 446 N ASP A 29 -3.674 -6.120 9.577 1.00 0.00 N ATOM 447 CA ASP A 29 -4.080 -4.931 10.397 1.00 0.00 C ATOM 448 C ASP A 29 -3.248 -3.712 9.997 1.00 0.00 C ATOM 449 O ASP A 29 -2.056 -3.662 10.227 1.00 0.00 O ATOM 450 CB ASP A 29 -3.836 -5.238 11.876 1.00 0.00 C ATOM 451 CG ASP A 29 -4.613 -6.495 12.273 1.00 0.00 C ATOM 452 OD1 ASP A 29 -5.486 -6.891 11.517 1.00 0.00 O ATOM 453 OD2 ASP A 29 -4.322 -7.040 13.325 1.00 0.00 O ATOM 0 H ASP A 29 -2.801 -6.561 9.866 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.135 -4.719 10.225 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.771 -5.384 12.057 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.151 -4.394 12.490 1.00 0.00 H new ATOM 458 N LEU A 30 -3.871 -2.722 9.401 1.00 0.00 N ATOM 459 CA LEU A 30 -3.131 -1.487 8.983 1.00 0.00 C ATOM 460 C LEU A 30 -3.995 -0.256 9.276 1.00 0.00 C ATOM 461 O LEU A 30 -5.207 -0.312 9.239 1.00 0.00 O ATOM 462 CB LEU A 30 -2.791 -1.567 7.482 1.00 0.00 C ATOM 463 CG LEU A 30 -4.046 -1.415 6.600 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.635 -1.580 5.133 1.00 0.00 C ATOM 465 CD2 LEU A 30 -5.097 -2.482 6.963 1.00 0.00 C ATOM 0 H LEU A 30 -4.868 -2.717 9.185 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.200 -1.407 9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.073 -0.786 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.311 -2.522 7.269 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.485 -0.431 6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.513 -1.475 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.903 -0.815 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.196 -2.567 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.975 -2.358 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.675 -3.475 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.385 -2.369 8.008 1.00 0.00 H new ATOM 477 N THR A 31 -3.381 0.856 9.578 1.00 0.00 N ATOM 478 CA THR A 31 -4.175 2.083 9.880 1.00 0.00 C ATOM 479 C THR A 31 -5.020 2.445 8.647 1.00 0.00 C ATOM 480 O THR A 31 -4.652 2.121 7.535 1.00 0.00 O ATOM 481 CB THR A 31 -3.209 3.234 10.218 1.00 0.00 C ATOM 482 OG1 THR A 31 -2.105 3.189 9.332 1.00 0.00 O ATOM 483 CG2 THR A 31 -2.708 3.091 11.659 1.00 0.00 C ATOM 0 H THR A 31 -2.369 0.969 9.629 1.00 0.00 H new ATOM 0 HA THR A 31 -4.835 1.909 10.730 1.00 0.00 H new ATOM 0 HB THR A 31 -3.731 4.185 10.114 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.339 2.778 9.784 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.025 3.909 11.890 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.556 3.122 12.344 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.186 2.141 11.770 1.00 0.00 H new ATOM 491 N PRO A 32 -6.144 3.107 8.827 1.00 0.00 N ATOM 492 CA PRO A 32 -7.027 3.495 7.684 1.00 0.00 C ATOM 493 C PRO A 32 -6.289 4.382 6.671 1.00 0.00 C ATOM 494 O PRO A 32 -6.424 4.216 5.474 1.00 0.00 O ATOM 495 CB PRO A 32 -8.201 4.250 8.356 1.00 0.00 C ATOM 496 CG PRO A 32 -7.677 4.661 9.698 1.00 0.00 C ATOM 497 CD PRO A 32 -6.703 3.560 10.115 1.00 0.00 C ATOM 0 HA PRO A 32 -7.362 2.633 7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.502 5.116 7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.078 3.610 8.453 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.176 5.627 9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.487 4.762 10.421 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.927 3.938 10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.209 2.751 10.642 1.00 0.00 H new ATOM 505 N LYS A 33 -5.507 5.316 7.136 1.00 0.00 N ATOM 506 CA LYS A 33 -4.763 6.196 6.192 1.00 0.00 C ATOM 507 C LYS A 33 -3.961 5.329 5.220 1.00 0.00 C ATOM 508 O LYS A 33 -3.961 5.550 4.025 1.00 0.00 O ATOM 509 CB LYS A 33 -3.808 7.097 6.981 1.00 0.00 C ATOM 510 CG LYS A 33 -4.615 8.118 7.789 1.00 0.00 C ATOM 511 CD LYS A 33 -3.703 8.809 8.812 1.00 0.00 C ATOM 512 CE LYS A 33 -2.617 9.620 8.091 1.00 0.00 C ATOM 513 NZ LYS A 33 -2.018 10.598 9.042 1.00 0.00 N ATOM 0 H LYS A 33 -5.351 5.508 8.126 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.467 6.814 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.192 6.495 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.130 7.611 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.054 8.859 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.439 7.621 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.293 9.465 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.241 8.064 9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.846 8.953 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.045 10.143 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.282 11.149 8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.758 11.241 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.596 10.088 9.844 1.00 0.00 H new ATOM 527 N GLU A 34 -3.283 4.336 5.726 1.00 0.00 N ATOM 528 CA GLU A 34 -2.485 3.448 4.837 1.00 0.00 C ATOM 529 C GLU A 34 -3.418 2.771 3.833 1.00 0.00 C ATOM 530 O GLU A 34 -3.059 2.539 2.696 1.00 0.00 O ATOM 531 CB GLU A 34 -1.779 2.387 5.683 1.00 0.00 C ATOM 532 CG GLU A 34 -0.837 3.074 6.676 1.00 0.00 C ATOM 533 CD GLU A 34 -0.345 2.053 7.705 1.00 0.00 C ATOM 534 OE1 GLU A 34 -0.411 0.871 7.416 1.00 0.00 O ATOM 535 OE2 GLU A 34 0.099 2.474 8.760 1.00 0.00 O ATOM 0 H GLU A 34 -3.248 4.102 6.718 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.740 4.035 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.513 1.785 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.217 1.709 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.010 3.510 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.354 3.892 7.178 1.00 0.00 H new ATOM 542 N TYR A 35 -4.620 2.459 4.240 1.00 0.00 N ATOM 543 CA TYR A 35 -5.575 1.805 3.300 1.00 0.00 C ATOM 544 C TYR A 35 -5.718 2.684 2.055 1.00 0.00 C ATOM 545 O TYR A 35 -5.885 2.195 0.954 1.00 0.00 O ATOM 546 CB TYR A 35 -6.940 1.641 3.988 1.00 0.00 C ATOM 547 CG TYR A 35 -7.813 0.688 3.191 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.403 1.111 1.990 1.00 0.00 C ATOM 549 CD2 TYR A 35 -8.039 -0.618 3.654 1.00 0.00 C ATOM 550 CE1 TYR A 35 -9.210 0.232 1.256 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.847 -1.493 2.917 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.429 -1.069 1.721 1.00 0.00 C ATOM 553 OH TYR A 35 -10.221 -1.934 1.001 1.00 0.00 O ATOM 0 H TYR A 35 -4.980 2.628 5.179 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.205 0.821 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.803 1.261 5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.431 2.610 4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.235 2.116 1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.590 -0.948 4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.663 0.559 0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.020 -2.497 3.275 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.768 -2.466 1.616 1.00 0.00 H new ATOM 563 N ALA A 36 -5.649 3.980 2.218 1.00 0.00 N ATOM 564 CA ALA A 36 -5.777 4.884 1.039 1.00 0.00 C ATOM 565 C ALA A 36 -4.555 4.714 0.137 1.00 0.00 C ATOM 566 O ALA A 36 -4.670 4.452 -1.045 1.00 0.00 O ATOM 567 CB ALA A 36 -5.855 6.338 1.511 1.00 0.00 C ATOM 0 H ALA A 36 -5.510 4.449 3.113 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.682 4.632 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.948 6.996 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.722 6.464 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.950 6.590 2.063 1.00 0.00 H new ATOM 573 N LEU A 37 -3.379 4.844 0.688 1.00 0.00 N ATOM 574 CA LEU A 37 -2.157 4.675 -0.142 1.00 0.00 C ATOM 575 C LEU A 37 -2.168 3.258 -0.716 1.00 0.00 C ATOM 576 O LEU A 37 -1.809 3.029 -1.855 1.00 0.00 O ATOM 577 CB LEU A 37 -0.904 4.874 0.722 1.00 0.00 C ATOM 578 CG LEU A 37 -0.708 6.363 1.048 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.838 6.868 1.963 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.641 6.548 1.757 1.00 0.00 C ATOM 0 H LEU A 37 -3.214 5.059 1.671 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.143 5.411 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.997 4.302 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.028 4.492 0.197 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.727 6.935 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.683 7.924 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.797 6.739 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.835 6.299 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.787 7.602 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.650 5.967 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.445 6.207 1.105 1.00 0.00 H new ATOM 592 N LEU A 38 -2.583 2.306 0.075 1.00 0.00 N ATOM 593 CA LEU A 38 -2.629 0.897 -0.402 1.00 0.00 C ATOM 594 C LEU A 38 -3.553 0.798 -1.618 1.00 0.00 C ATOM 595 O LEU A 38 -3.241 0.146 -2.595 1.00 0.00 O ATOM 596 CB LEU A 38 -3.160 -0.001 0.725 1.00 0.00 C ATOM 597 CG LEU A 38 -2.970 -1.494 0.365 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.533 -1.951 0.669 1.00 0.00 C ATOM 599 CD2 LEU A 38 -3.942 -2.348 1.191 1.00 0.00 C ATOM 0 H LEU A 38 -2.894 2.446 1.036 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.628 0.573 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.637 0.224 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.216 0.206 0.896 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.166 -1.616 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.423 -3.004 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.831 -1.357 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.325 -1.817 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.808 -3.400 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.742 -2.202 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.967 -2.049 0.970 1.00 0.00 H new ATOM 611 N SER A 39 -4.691 1.436 -1.567 1.00 0.00 N ATOM 612 CA SER A 39 -5.636 1.374 -2.720 1.00 0.00 C ATOM 613 C SER A 39 -4.902 1.769 -4.002 1.00 0.00 C ATOM 614 O SER A 39 -5.170 1.251 -5.068 1.00 0.00 O ATOM 615 CB SER A 39 -6.796 2.340 -2.479 1.00 0.00 C ATOM 616 OG SER A 39 -7.734 2.221 -3.541 1.00 0.00 O ATOM 0 H SER A 39 -5.008 1.998 -0.777 1.00 0.00 H new ATOM 0 HA SER A 39 -6.022 0.360 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.277 2.118 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.426 3.363 -2.418 1.00 0.00 H new ATOM 0 HG SER A 39 -8.480 2.838 -3.389 1.00 0.00 H new ATOM 622 N ARG A 40 -3.971 2.678 -3.903 1.00 0.00 N ATOM 623 CA ARG A 40 -3.206 3.104 -5.113 1.00 0.00 C ATOM 624 C ARG A 40 -2.123 2.062 -5.417 1.00 0.00 C ATOM 625 O ARG A 40 -1.939 1.662 -6.551 1.00 0.00 O ATOM 626 CB ARG A 40 -2.562 4.479 -4.846 1.00 0.00 C ATOM 627 CG ARG A 40 -3.574 5.605 -5.118 1.00 0.00 C ATOM 628 CD ARG A 40 -4.872 5.368 -4.327 1.00 0.00 C ATOM 629 NE ARG A 40 -5.747 4.419 -5.075 1.00 0.00 N ATOM 630 CZ ARG A 40 -6.367 4.814 -6.153 1.00 0.00 C ATOM 631 NH1 ARG A 40 -6.220 6.040 -6.579 1.00 0.00 N ATOM 632 NH2 ARG A 40 -7.133 3.985 -6.807 1.00 0.00 N ATOM 0 H ARG A 40 -3.706 3.146 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.874 3.184 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.217 4.532 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.686 4.607 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.141 6.566 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.795 5.653 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.641 4.965 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.393 6.313 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.861 3.461 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.620 6.689 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.705 6.349 -7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.248 3.027 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.617 4.295 -7.650 1.00 0.00 H new ATOM 646 N LEU A 41 -1.405 1.618 -4.422 1.00 0.00 N ATOM 647 CA LEU A 41 -0.344 0.604 -4.677 1.00 0.00 C ATOM 648 C LEU A 41 -0.967 -0.621 -5.352 1.00 0.00 C ATOM 649 O LEU A 41 -0.398 -1.197 -6.257 1.00 0.00 O ATOM 650 CB LEU A 41 0.308 0.184 -3.351 1.00 0.00 C ATOM 651 CG LEU A 41 1.207 1.316 -2.805 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.508 1.056 -1.320 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.536 1.386 -3.589 1.00 0.00 C ATOM 0 H LEU A 41 -1.506 1.911 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 41 0.417 1.034 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.464 -0.059 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.901 -0.718 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 41 0.682 2.264 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.142 1.853 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.574 1.030 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.022 0.100 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.153 2.190 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.066 0.438 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.328 1.579 -4.641 1.00 0.00 H new ATOM 665 N MET A 42 -2.131 -1.025 -4.919 1.00 0.00 N ATOM 666 CA MET A 42 -2.784 -2.215 -5.537 1.00 0.00 C ATOM 667 C MET A 42 -3.360 -1.832 -6.903 1.00 0.00 C ATOM 668 O MET A 42 -3.368 -2.621 -7.827 1.00 0.00 O ATOM 669 CB MET A 42 -3.912 -2.708 -4.626 1.00 0.00 C ATOM 670 CG MET A 42 -4.399 -4.079 -5.101 1.00 0.00 C ATOM 671 SD MET A 42 -3.134 -5.327 -4.749 1.00 0.00 S ATOM 672 CE MET A 42 -3.680 -5.748 -3.075 1.00 0.00 C ATOM 0 H MET A 42 -2.657 -0.583 -4.165 1.00 0.00 H new ATOM 0 HA MET A 42 -2.047 -3.008 -5.665 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.559 -2.774 -3.597 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.737 -1.996 -4.635 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.331 -4.339 -4.599 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.610 -4.051 -6.170 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.026 -6.515 -2.661 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.641 -4.859 -2.445 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.703 -6.123 -3.109 1.00 0.00 H new ATOM 682 N MET A 43 -3.846 -0.631 -7.034 1.00 0.00 N ATOM 683 CA MET A 43 -4.429 -0.198 -8.334 1.00 0.00 C ATOM 684 C MET A 43 -3.407 -0.428 -9.445 1.00 0.00 C ATOM 685 O MET A 43 -3.754 -0.593 -10.598 1.00 0.00 O ATOM 686 CB MET A 43 -4.782 1.290 -8.266 1.00 0.00 C ATOM 687 CG MET A 43 -5.475 1.712 -9.562 1.00 0.00 C ATOM 688 SD MET A 43 -6.037 3.426 -9.413 1.00 0.00 S ATOM 689 CE MET A 43 -6.210 3.764 -11.183 1.00 0.00 C ATOM 0 H MET A 43 -3.865 0.072 -6.295 1.00 0.00 H new ATOM 0 HA MET A 43 -5.331 -0.774 -8.540 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.434 1.481 -7.414 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.879 1.882 -8.115 1.00 0.00 H new ATOM 0 HG2 MET A 43 -4.788 1.615 -10.403 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.322 1.056 -9.765 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.554 4.788 -11.326 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.246 3.633 -11.674 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.935 3.074 -11.616 1.00 0.00 H new ATOM 699 N LYS A 44 -2.143 -0.426 -9.099 1.00 0.00 N ATOM 700 CA LYS A 44 -1.058 -0.628 -10.113 1.00 0.00 C ATOM 701 C LYS A 44 -0.101 -1.730 -9.634 1.00 0.00 C ATOM 702 O LYS A 44 1.104 -1.608 -9.741 1.00 0.00 O ATOM 703 CB LYS A 44 -0.294 0.694 -10.264 1.00 0.00 C ATOM 704 CG LYS A 44 -1.102 1.669 -11.127 1.00 0.00 C ATOM 705 CD LYS A 44 -0.305 2.960 -11.323 1.00 0.00 C ATOM 706 CE LYS A 44 -1.089 3.912 -12.228 1.00 0.00 C ATOM 707 NZ LYS A 44 -0.281 5.140 -12.476 1.00 0.00 N ATOM 0 H LYS A 44 -1.811 -0.291 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.485 -0.928 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.109 1.131 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.679 0.512 -10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.325 1.217 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.057 1.888 -10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.114 3.432 -10.359 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.666 2.737 -11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.324 3.422 -13.173 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.038 4.176 -11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.814 5.788 -13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.078 5.611 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.613 4.880 -12.939 1.00 0.00 H new ATOM 721 N ALA A 45 -0.625 -2.806 -9.110 1.00 0.00 N ATOM 722 CA ALA A 45 0.257 -3.906 -8.631 1.00 0.00 C ATOM 723 C ALA A 45 0.957 -4.572 -9.822 1.00 0.00 C ATOM 724 O ALA A 45 0.387 -4.726 -10.885 1.00 0.00 O ATOM 725 CB ALA A 45 -0.584 -4.950 -7.887 1.00 0.00 C ATOM 0 H ALA A 45 -1.625 -2.969 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 45 1.008 -3.493 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.062 -5.755 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.075 -4.481 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.338 -5.357 -8.561 1.00 0.00 H new ATOM 731 N GLY A 46 2.191 -4.979 -9.641 1.00 0.00 N ATOM 732 CA GLY A 46 2.954 -5.652 -10.745 1.00 0.00 C ATOM 733 C GLY A 46 3.915 -4.658 -11.399 1.00 0.00 C ATOM 734 O GLY A 46 4.893 -5.045 -12.007 1.00 0.00 O ATOM 0 H GLY A 46 2.708 -4.873 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.511 -6.501 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.262 -6.045 -11.490 1.00 0.00 H new ATOM 738 N SER A 47 3.641 -3.380 -11.279 1.00 0.00 N ATOM 739 CA SER A 47 4.526 -2.331 -11.892 1.00 0.00 C ATOM 740 C SER A 47 4.995 -1.375 -10.785 1.00 0.00 C ATOM 741 O SER A 47 4.331 -1.227 -9.777 1.00 0.00 O ATOM 742 CB SER A 47 3.716 -1.551 -12.938 1.00 0.00 C ATOM 743 OG SER A 47 4.153 -0.198 -12.978 1.00 0.00 O ATOM 0 H SER A 47 2.833 -3.013 -10.777 1.00 0.00 H new ATOM 0 HA SER A 47 5.391 -2.792 -12.369 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.835 -2.010 -13.919 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.655 -1.592 -12.694 1.00 0.00 H new ATOM 0 HG SER A 47 3.634 0.294 -13.648 1.00 0.00 H new ATOM 749 N PRO A 48 6.124 -0.725 -10.959 1.00 0.00 N ATOM 750 CA PRO A 48 6.651 0.227 -9.935 1.00 0.00 C ATOM 751 C PRO A 48 5.766 1.475 -9.835 1.00 0.00 C ATOM 752 O PRO A 48 5.566 2.186 -10.800 1.00 0.00 O ATOM 753 CB PRO A 48 8.059 0.576 -10.455 1.00 0.00 C ATOM 754 CG PRO A 48 7.974 0.367 -11.934 1.00 0.00 C ATOM 755 CD PRO A 48 7.018 -0.815 -12.129 1.00 0.00 C ATOM 0 HA PRO A 48 6.668 -0.196 -8.931 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.327 1.605 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.818 -0.065 -10.006 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.601 1.260 -12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.955 0.151 -12.356 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.465 -0.735 -13.065 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.552 -1.765 -12.155 1.00 0.00 H new ATOM 763 N VAL A 49 5.225 1.739 -8.674 1.00 0.00 N ATOM 764 CA VAL A 49 4.339 2.927 -8.502 1.00 0.00 C ATOM 765 C VAL A 49 5.151 4.130 -8.026 1.00 0.00 C ATOM 766 O VAL A 49 5.988 4.022 -7.153 1.00 0.00 O ATOM 767 CB VAL A 49 3.262 2.601 -7.467 1.00 0.00 C ATOM 768 CG1 VAL A 49 2.357 3.822 -7.264 1.00 0.00 C ATOM 769 CG2 VAL A 49 2.429 1.416 -7.966 1.00 0.00 C ATOM 0 H VAL A 49 5.360 1.178 -7.833 1.00 0.00 H new ATOM 0 HA VAL A 49 3.878 3.170 -9.459 1.00 0.00 H new ATOM 0 HB VAL A 49 3.731 2.343 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.590 3.588 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.954 4.663 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.883 4.084 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.659 1.178 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.959 1.676 -8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.076 0.550 -8.107 1.00 0.00 H new ATOM 779 N HIS A 50 4.896 5.281 -8.585 1.00 0.00 N ATOM 780 CA HIS A 50 5.639 6.499 -8.161 1.00 0.00 C ATOM 781 C HIS A 50 5.213 6.865 -6.733 1.00 0.00 C ATOM 782 O HIS A 50 4.052 7.097 -6.461 1.00 0.00 O ATOM 783 CB HIS A 50 5.307 7.651 -9.125 1.00 0.00 C ATOM 784 CG HIS A 50 6.340 8.744 -9.011 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.369 9.823 -9.883 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.387 8.937 -8.143 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.401 10.609 -9.525 1.00 0.00 C ATOM 788 NE2 HIS A 50 8.051 10.113 -8.472 1.00 0.00 N ATOM 0 H HIS A 50 4.203 5.430 -9.319 1.00 0.00 H new ATOM 0 HA HIS A 50 6.713 6.316 -8.182 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.273 7.279 -10.149 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.319 8.051 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.653 8.277 -7.331 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.669 11.527 -10.028 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.865 10.513 -8.005 1.00 0.00 H new ATOM 797 N ARG A 51 6.143 6.907 -5.817 1.00 0.00 N ATOM 798 CA ARG A 51 5.795 7.244 -4.406 1.00 0.00 C ATOM 799 C ARG A 51 4.974 8.534 -4.369 1.00 0.00 C ATOM 800 O ARG A 51 4.331 8.846 -3.387 1.00 0.00 O ATOM 801 CB ARG A 51 7.076 7.429 -3.582 1.00 0.00 C ATOM 802 CG ARG A 51 8.030 8.389 -4.303 1.00 0.00 C ATOM 803 CD ARG A 51 9.142 8.827 -3.345 1.00 0.00 C ATOM 804 NE ARG A 51 8.577 9.746 -2.316 1.00 0.00 N ATOM 805 CZ ARG A 51 9.347 10.224 -1.375 1.00 0.00 C ATOM 806 NH1 ARG A 51 10.608 9.895 -1.333 1.00 0.00 N ATOM 807 NH2 ARG A 51 8.851 11.030 -0.475 1.00 0.00 N ATOM 0 H ARG A 51 7.132 6.722 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 51 5.208 6.429 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.830 7.821 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.563 6.466 -3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.461 7.901 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.482 9.260 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.587 7.956 -2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.937 9.327 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 51 7.590 10.001 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.994 9.264 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.208 10.269 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.864 11.285 -0.508 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.451 11.404 0.260 1.00 0.00 H new ATOM 821 N GLU A 52 4.996 9.287 -5.432 1.00 0.00 N ATOM 822 CA GLU A 52 4.223 10.559 -5.456 1.00 0.00 C ATOM 823 C GLU A 52 2.724 10.256 -5.395 1.00 0.00 C ATOM 824 O GLU A 52 2.002 10.838 -4.612 1.00 0.00 O ATOM 825 CB GLU A 52 4.538 11.324 -6.745 1.00 0.00 C ATOM 826 CG GLU A 52 5.971 11.860 -6.689 1.00 0.00 C ATOM 827 CD GLU A 52 6.236 12.738 -7.913 1.00 0.00 C ATOM 828 OE1 GLU A 52 5.279 13.111 -8.569 1.00 0.00 O ATOM 829 OE2 GLU A 52 7.394 13.022 -8.172 1.00 0.00 O ATOM 0 H GLU A 52 5.515 9.077 -6.285 1.00 0.00 H new ATOM 0 HA GLU A 52 4.502 11.165 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.418 10.668 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.836 12.148 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.119 12.436 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.679 11.032 -6.662 1.00 0.00 H new ATOM 836 N ILE A 53 2.249 9.350 -6.209 1.00 0.00 N ATOM 837 CA ILE A 53 0.794 9.021 -6.195 1.00 0.00 C ATOM 838 C ILE A 53 0.359 8.638 -4.779 1.00 0.00 C ATOM 839 O ILE A 53 -0.769 8.861 -4.386 1.00 0.00 O ATOM 840 CB ILE A 53 0.533 7.848 -7.145 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.955 8.239 -8.566 1.00 0.00 C ATOM 842 CG2 ILE A 53 -0.959 7.500 -7.131 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.974 6.995 -9.459 1.00 0.00 C ATOM 0 H ILE A 53 2.806 8.824 -6.883 1.00 0.00 H new ATOM 0 HA ILE A 53 0.224 9.892 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 53 1.109 6.982 -6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.264 8.978 -8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.942 8.701 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.144 6.665 -7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.258 7.222 -6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.537 8.365 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.274 7.276 -10.468 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.683 6.270 -9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.021 6.552 -9.487 1.00 0.00 H new ATOM 855 N LEU A 54 1.240 8.062 -4.011 1.00 0.00 N ATOM 856 CA LEU A 54 0.868 7.668 -2.624 1.00 0.00 C ATOM 857 C LEU A 54 0.701 8.927 -1.771 1.00 0.00 C ATOM 858 O LEU A 54 -0.137 8.988 -0.895 1.00 0.00 O ATOM 859 CB LEU A 54 1.963 6.770 -2.034 1.00 0.00 C ATOM 860 CG LEU A 54 2.420 5.751 -3.085 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.448 4.803 -2.459 1.00 0.00 C ATOM 862 CD2 LEU A 54 1.215 4.945 -3.588 1.00 0.00 C ATOM 0 H LEU A 54 2.199 7.847 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.072 7.116 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.809 7.377 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.586 6.252 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 54 2.872 6.277 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.775 4.077 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.307 5.377 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.995 4.280 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.546 4.223 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.755 4.418 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.486 5.621 -4.035 1.00 0.00 H new ATOM 874 N TYR A 55 1.477 9.938 -2.030 1.00 0.00 N ATOM 875 CA TYR A 55 1.339 11.193 -1.241 1.00 0.00 C ATOM 876 C TYR A 55 0.022 11.858 -1.656 1.00 0.00 C ATOM 877 O TYR A 55 -0.668 12.457 -0.861 1.00 0.00 O ATOM 878 CB TYR A 55 2.533 12.126 -1.543 1.00 0.00 C ATOM 879 CG TYR A 55 3.701 11.828 -0.613 1.00 0.00 C ATOM 880 CD1 TYR A 55 4.001 10.506 -0.245 1.00 0.00 C ATOM 881 CD2 TYR A 55 4.485 12.880 -0.119 1.00 0.00 C ATOM 882 CE1 TYR A 55 5.078 10.244 0.611 1.00 0.00 C ATOM 883 CE2 TYR A 55 5.561 12.615 0.736 1.00 0.00 C ATOM 884 CZ TYR A 55 5.858 11.298 1.101 1.00 0.00 C ATOM 885 OH TYR A 55 6.918 11.036 1.945 1.00 0.00 O ATOM 0 H TYR A 55 2.199 9.952 -2.751 1.00 0.00 H new ATOM 0 HA TYR A 55 1.332 10.984 -0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.846 11.999 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.226 13.166 -1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.401 9.691 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.258 13.898 -0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.307 9.227 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.162 13.428 1.114 1.00 0.00 H new ATOM 0 HH TYR A 55 7.493 11.827 2.003 1.00 0.00 H new ATOM 895 N ASN A 56 -0.322 11.744 -2.906 1.00 0.00 N ATOM 896 CA ASN A 56 -1.584 12.352 -3.412 1.00 0.00 C ATOM 897 C ASN A 56 -2.785 11.775 -2.656 1.00 0.00 C ATOM 898 O ASN A 56 -3.851 12.358 -2.629 1.00 0.00 O ATOM 899 CB ASN A 56 -1.730 12.048 -4.906 1.00 0.00 C ATOM 900 CG ASN A 56 -0.651 12.800 -5.694 1.00 0.00 C ATOM 901 OD1 ASN A 56 -0.865 13.915 -6.124 1.00 0.00 O ATOM 902 ND2 ASN A 56 0.506 12.230 -5.901 1.00 0.00 N ATOM 0 H ASN A 56 0.225 11.248 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.549 13.430 -3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.640 10.976 -5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.720 12.345 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.230 12.722 -6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.685 11.293 -5.539 1.00 0.00 H new ATOM 909 N ASP A 57 -2.628 10.629 -2.050 1.00 0.00 N ATOM 910 CA ASP A 57 -3.766 10.023 -1.317 1.00 0.00 C ATOM 911 C ASP A 57 -4.196 10.941 -0.174 1.00 0.00 C ATOM 912 O ASP A 57 -5.355 11.282 -0.043 1.00 0.00 O ATOM 913 CB ASP A 57 -3.342 8.667 -0.753 1.00 0.00 C ATOM 914 CG ASP A 57 -3.178 7.666 -1.898 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.324 7.892 -2.739 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.911 6.692 -1.914 1.00 0.00 O ATOM 0 H ASP A 57 -1.762 10.091 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.604 9.889 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.405 8.766 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.088 8.306 -0.045 1.00 0.00 H new ATOM 1089 N THR A 69 10.380 12.654 7.958 1.00 0.00 N ATOM 1090 CA THR A 69 9.069 12.781 8.655 1.00 0.00 C ATOM 1091 C THR A 69 8.080 11.777 8.064 1.00 0.00 C ATOM 1092 O THR A 69 7.757 10.773 8.669 1.00 0.00 O ATOM 1093 CB THR A 69 8.523 14.199 8.468 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.529 15.142 8.809 1.00 0.00 O ATOM 1095 CG2 THR A 69 7.304 14.402 9.368 1.00 0.00 C ATOM 0 HA THR A 69 9.204 12.581 9.718 1.00 0.00 H new ATOM 0 HB THR A 69 8.230 14.341 7.428 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.411 14.773 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.917 15.412 9.234 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.532 13.679 9.104 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.593 14.260 10.409 1.00 0.00 H new ATOM 1103 N LEU A 70 7.593 12.043 6.885 1.00 0.00 N ATOM 1104 CA LEU A 70 6.622 11.111 6.250 1.00 0.00 C ATOM 1105 C LEU A 70 7.337 9.819 5.846 1.00 0.00 C ATOM 1106 O LEU A 70 6.787 8.741 5.949 1.00 0.00 O ATOM 1107 CB LEU A 70 6.012 11.773 5.008 1.00 0.00 C ATOM 1108 CG LEU A 70 5.573 13.206 5.338 1.00 0.00 C ATOM 1109 CD1 LEU A 70 4.960 13.846 4.089 1.00 0.00 C ATOM 1110 CD2 LEU A 70 4.534 13.191 6.473 1.00 0.00 C ATOM 0 H LEU A 70 7.826 12.868 6.332 1.00 0.00 H new ATOM 0 HA LEU A 70 5.829 10.876 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.741 11.785 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.157 11.193 4.660 1.00 0.00 H new ATOM 0 HG LEU A 70 6.440 13.783 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.647 14.864 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.701 13.866 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.096 13.264 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.229 14.212 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.664 12.613 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.973 12.737 7.362 1.00 0.00 H new ATOM 1122 N GLU A 71 8.555 9.913 5.385 1.00 0.00 N ATOM 1123 CA GLU A 71 9.290 8.683 4.977 1.00 0.00 C ATOM 1124 C GLU A 71 9.425 7.748 6.177 1.00 0.00 C ATOM 1125 O GLU A 71 9.425 6.541 6.038 1.00 0.00 O ATOM 1126 CB GLU A 71 10.681 9.063 4.466 1.00 0.00 C ATOM 1127 CG GLU A 71 10.552 10.130 3.378 1.00 0.00 C ATOM 1128 CD GLU A 71 11.932 10.434 2.793 1.00 0.00 C ATOM 1129 OE1 GLU A 71 12.627 9.493 2.445 1.00 0.00 O ATOM 1130 OE2 GLU A 71 12.271 11.603 2.703 1.00 0.00 O ATOM 0 H GLU A 71 9.071 10.786 5.274 1.00 0.00 H new ATOM 0 HA GLU A 71 8.739 8.178 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.292 9.438 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.187 8.183 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.881 9.783 2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.114 11.037 3.794 1.00 0.00 H new ATOM 1137 N VAL A 72 9.535 8.292 7.356 1.00 0.00 N ATOM 1138 CA VAL A 72 9.663 7.424 8.556 1.00 0.00 C ATOM 1139 C VAL A 72 8.329 6.734 8.817 1.00 0.00 C ATOM 1140 O VAL A 72 8.276 5.571 9.162 1.00 0.00 O ATOM 1141 CB VAL A 72 10.039 8.275 9.765 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.365 7.365 10.950 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.260 9.133 9.426 1.00 0.00 C ATOM 0 H VAL A 72 9.542 9.295 7.539 1.00 0.00 H new ATOM 0 HA VAL A 72 10.438 6.677 8.386 1.00 0.00 H new ATOM 0 HB VAL A 72 9.202 8.923 10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.634 7.974 11.813 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.494 6.757 11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.201 6.715 10.690 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.529 9.741 10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.097 8.487 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.025 9.783 8.583 1.00 0.00 H new ATOM 1153 N HIS A 73 7.245 7.433 8.627 1.00 0.00 N ATOM 1154 CA HIS A 73 5.917 6.798 8.838 1.00 0.00 C ATOM 1155 C HIS A 73 5.843 5.578 7.926 1.00 0.00 C ATOM 1156 O HIS A 73 5.323 4.540 8.285 1.00 0.00 O ATOM 1157 CB HIS A 73 4.805 7.786 8.476 1.00 0.00 C ATOM 1158 CG HIS A 73 4.757 8.884 9.502 1.00 0.00 C ATOM 1159 ND1 HIS A 73 3.574 9.522 9.850 1.00 0.00 N ATOM 1160 CD2 HIS A 73 5.738 9.470 10.267 1.00 0.00 C ATOM 1161 CE1 HIS A 73 3.870 10.445 10.785 1.00 0.00 C ATOM 1162 NE2 HIS A 73 5.173 10.452 11.072 1.00 0.00 N ATOM 0 H HIS A 73 7.222 8.410 8.337 1.00 0.00 H new ATOM 0 HA HIS A 73 5.791 6.507 9.881 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.985 8.206 7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.845 7.271 8.434 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.785 9.208 10.246 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.143 11.098 11.245 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.654 11.052 11.742 1.00 0.00 H new ATOM 1171 N ILE A 74 6.385 5.704 6.746 1.00 0.00 N ATOM 1172 CA ILE A 74 6.376 4.558 5.803 1.00 0.00 C ATOM 1173 C ILE A 74 7.202 3.434 6.413 1.00 0.00 C ATOM 1174 O ILE A 74 6.855 2.275 6.316 1.00 0.00 O ATOM 1175 CB ILE A 74 6.965 4.975 4.451 1.00 0.00 C ATOM 1176 CG1 ILE A 74 6.112 6.112 3.868 1.00 0.00 C ATOM 1177 CG2 ILE A 74 6.952 3.774 3.495 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.722 6.623 2.557 1.00 0.00 C ATOM 0 H ILE A 74 6.833 6.552 6.397 1.00 0.00 H new ATOM 0 HA ILE A 74 5.353 4.222 5.634 1.00 0.00 H new ATOM 0 HB ILE A 74 7.992 5.316 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.097 5.758 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.044 6.929 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.371 4.070 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.549 2.966 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.927 3.432 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.105 7.428 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.729 6.997 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.767 5.808 1.835 1.00 0.00 H new ATOM 1190 N HIS A 75 8.291 3.763 7.051 1.00 0.00 N ATOM 1191 CA HIS A 75 9.119 2.693 7.673 1.00 0.00 C ATOM 1192 C HIS A 75 8.266 1.958 8.705 1.00 0.00 C ATOM 1193 O HIS A 75 8.361 0.754 8.868 1.00 0.00 O ATOM 1194 CB HIS A 75 10.340 3.313 8.357 1.00 0.00 C ATOM 1195 CG HIS A 75 11.216 2.220 8.905 1.00 0.00 C ATOM 1196 ND1 HIS A 75 11.000 0.880 8.613 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.314 2.252 9.730 1.00 0.00 C ATOM 1198 CE1 HIS A 75 11.947 0.168 9.252 1.00 0.00 C ATOM 1199 NE2 HIS A 75 12.770 0.956 9.945 1.00 0.00 N ATOM 0 H HIS A 75 8.640 4.714 7.168 1.00 0.00 H new ATOM 0 HA HIS A 75 9.463 1.996 6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.900 3.920 7.645 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.022 3.977 9.161 1.00 0.00 H new ATOM 0 HD1 HIS A 75 10.259 0.504 8.022 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.755 3.145 10.147 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.030 -0.908 9.209 1.00 0.00 H new ATOM 1208 N ASN A 76 7.421 2.675 9.393 1.00 0.00 N ATOM 1209 CA ASN A 76 6.546 2.025 10.407 1.00 0.00 C ATOM 1210 C ASN A 76 5.458 1.232 9.685 1.00 0.00 C ATOM 1211 O ASN A 76 5.113 0.135 10.069 1.00 0.00 O ATOM 1212 CB ASN A 76 5.901 3.096 11.290 1.00 0.00 C ATOM 1213 CG ASN A 76 5.040 2.425 12.361 1.00 0.00 C ATOM 1214 OD1 ASN A 76 4.023 2.958 12.761 1.00 0.00 O ATOM 1215 ND2 ASN A 76 5.404 1.270 12.847 1.00 0.00 N ATOM 0 H ASN A 76 7.299 3.683 9.296 1.00 0.00 H new ATOM 0 HA ASN A 76 7.138 1.356 11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.672 3.708 11.759 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.290 3.763 10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.836 0.815 13.562 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.257 0.822 12.512 1.00 0.00 H new ATOM 1222 N LEU A 77 4.907 1.788 8.647 1.00 0.00 N ATOM 1223 CA LEU A 77 3.835 1.080 7.897 1.00 0.00 C ATOM 1224 C LEU A 77 4.446 -0.161 7.231 1.00 0.00 C ATOM 1225 O LEU A 77 3.864 -1.227 7.224 1.00 0.00 O ATOM 1226 CB LEU A 77 3.220 2.085 6.864 1.00 0.00 C ATOM 1227 CG LEU A 77 3.286 1.583 5.402 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.439 0.292 5.210 1.00 0.00 C ATOM 1229 CD2 LEU A 77 2.770 2.700 4.475 1.00 0.00 C ATOM 0 H LEU A 77 5.154 2.708 8.283 1.00 0.00 H new ATOM 0 HA LEU A 77 3.031 0.738 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.180 2.275 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.746 3.037 6.937 1.00 0.00 H new ATOM 0 HG LEU A 77 4.319 1.337 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.506 -0.036 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.819 -0.493 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.398 0.499 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.810 2.361 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.741 2.944 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.394 3.586 4.591 1.00 0.00 H new ATOM 1241 N ARG A 78 5.604 -0.016 6.661 1.00 0.00 N ATOM 1242 CA ARG A 78 6.263 -1.162 5.972 1.00 0.00 C ATOM 1243 C ARG A 78 6.292 -2.401 6.875 1.00 0.00 C ATOM 1244 O ARG A 78 5.919 -3.481 6.464 1.00 0.00 O ATOM 1245 CB ARG A 78 7.696 -0.768 5.611 1.00 0.00 C ATOM 1246 CG ARG A 78 8.339 -1.877 4.776 1.00 0.00 C ATOM 1247 CD ARG A 78 9.721 -1.422 4.303 1.00 0.00 C ATOM 1248 NE ARG A 78 10.627 -1.284 5.479 1.00 0.00 N ATOM 1249 CZ ARG A 78 11.899 -1.053 5.301 1.00 0.00 C ATOM 1250 NH1 ARG A 78 12.381 -0.943 4.092 1.00 0.00 N ATOM 1251 NH2 ARG A 78 12.690 -0.930 6.331 1.00 0.00 N ATOM 0 H ARG A 78 6.131 0.857 6.641 1.00 0.00 H new ATOM 0 HA ARG A 78 5.696 -1.403 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.697 0.168 5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.277 -0.599 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.427 -2.788 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.709 -2.113 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.131 -2.144 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.642 -0.471 3.777 1.00 0.00 H new ATOM 0 HE ARG A 78 10.252 -1.370 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.763 -1.038 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.375 -0.762 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.314 -1.014 7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.684 -0.749 6.192 1.00 0.00 H new ATOM 1265 N GLU A 79 6.757 -2.268 8.087 1.00 0.00 N ATOM 1266 CA GLU A 79 6.831 -3.464 8.982 1.00 0.00 C ATOM 1267 C GLU A 79 5.426 -3.987 9.301 1.00 0.00 C ATOM 1268 O GLU A 79 5.238 -5.163 9.544 1.00 0.00 O ATOM 1269 CB GLU A 79 7.554 -3.099 10.282 1.00 0.00 C ATOM 1270 CG GLU A 79 6.935 -1.837 10.883 1.00 0.00 C ATOM 1271 CD GLU A 79 7.476 -1.625 12.298 1.00 0.00 C ATOM 1272 OE1 GLU A 79 7.243 -2.482 13.135 1.00 0.00 O ATOM 1273 OE2 GLU A 79 8.114 -0.609 12.522 1.00 0.00 O ATOM 0 H GLU A 79 7.087 -1.394 8.496 1.00 0.00 H new ATOM 0 HA GLU A 79 7.387 -4.247 8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.483 -3.923 10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.614 -2.937 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.168 -0.973 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.849 -1.928 10.908 1.00 0.00 H new ATOM 1280 N LYS A 80 4.440 -3.134 9.317 1.00 0.00 N ATOM 1281 CA LYS A 80 3.061 -3.603 9.637 1.00 0.00 C ATOM 1282 C LYS A 80 2.549 -4.536 8.532 1.00 0.00 C ATOM 1283 O LYS A 80 2.020 -5.596 8.803 1.00 0.00 O ATOM 1284 CB LYS A 80 2.124 -2.395 9.762 1.00 0.00 C ATOM 1285 CG LYS A 80 2.429 -1.639 11.059 1.00 0.00 C ATOM 1286 CD LYS A 80 1.454 -0.468 11.208 1.00 0.00 C ATOM 1287 CE LYS A 80 1.593 0.137 12.607 1.00 0.00 C ATOM 1288 NZ LYS A 80 2.948 0.740 12.756 1.00 0.00 N ATOM 0 H LYS A 80 4.528 -2.136 9.123 1.00 0.00 H new ATOM 0 HA LYS A 80 3.083 -4.149 10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.251 -1.733 8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.085 -2.726 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.341 -2.310 11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.455 -1.272 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.659 0.289 10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.431 -0.810 11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.826 0.896 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.440 -0.632 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.398 0.373 13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.530 0.494 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.862 1.774 12.823 1.00 0.00 H new ATOM 1302 N ILE A 81 2.685 -4.150 7.291 1.00 0.00 N ATOM 1303 CA ILE A 81 2.188 -5.015 6.182 1.00 0.00 C ATOM 1304 C ILE A 81 3.126 -6.203 5.980 1.00 0.00 C ATOM 1305 O ILE A 81 2.735 -7.231 5.461 1.00 0.00 O ATOM 1306 CB ILE A 81 2.125 -4.200 4.886 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.459 -3.483 4.661 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.003 -3.163 4.988 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.472 -2.850 3.268 1.00 0.00 C ATOM 0 H ILE A 81 3.118 -3.274 6.998 1.00 0.00 H new ATOM 0 HA ILE A 81 1.194 -5.381 6.439 1.00 0.00 H new ATOM 0 HB ILE A 81 1.929 -4.871 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.604 -2.716 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.284 -4.189 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.958 -2.583 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.051 -3.671 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.200 -2.496 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.422 -2.340 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.347 -3.627 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.656 -2.131 3.187 1.00 0.00 H new ATOM 1321 N GLY A 82 4.364 -6.072 6.364 1.00 0.00 N ATOM 1322 CA GLY A 82 5.330 -7.193 6.170 1.00 0.00 C ATOM 1323 C GLY A 82 5.887 -7.114 4.751 1.00 0.00 C ATOM 1324 O GLY A 82 5.401 -7.759 3.842 1.00 0.00 O ATOM 0 H GLY A 82 4.751 -5.237 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.138 -7.126 6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.835 -8.151 6.330 1.00 0.00 H new ATOM 1328 N LYS A 83 6.898 -6.315 4.559 1.00 0.00 N ATOM 1329 CA LYS A 83 7.508 -6.159 3.203 1.00 0.00 C ATOM 1330 C LYS A 83 7.698 -7.527 2.540 1.00 0.00 C ATOM 1331 O LYS A 83 7.898 -7.627 1.346 1.00 0.00 O ATOM 1332 CB LYS A 83 8.870 -5.474 3.335 1.00 0.00 C ATOM 1333 CG LYS A 83 9.793 -6.332 4.209 1.00 0.00 C ATOM 1334 CD LYS A 83 11.044 -5.532 4.589 1.00 0.00 C ATOM 1335 CE LYS A 83 11.747 -5.022 3.324 1.00 0.00 C ATOM 1336 NZ LYS A 83 11.727 -6.083 2.277 1.00 0.00 N ATOM 0 H LYS A 83 7.335 -5.755 5.291 1.00 0.00 H new ATOM 0 HA LYS A 83 6.842 -5.555 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.314 -5.331 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.750 -4.485 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.266 -6.648 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.078 -7.237 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.768 -4.691 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.725 -6.158 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.249 -4.125 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.775 -4.744 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.558 -5.978 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.749 -7.019 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.860 -5.994 1.709 1.00 0.00 H new ATOM 1350 N SER A 84 7.651 -8.579 3.308 1.00 0.00 N ATOM 1351 CA SER A 84 7.844 -9.935 2.728 1.00 0.00 C ATOM 1352 C SER A 84 6.848 -10.166 1.591 1.00 0.00 C ATOM 1353 O SER A 84 7.210 -10.612 0.522 1.00 0.00 O ATOM 1354 CB SER A 84 7.626 -10.986 3.816 1.00 0.00 C ATOM 1355 OG SER A 84 8.677 -10.900 4.769 1.00 0.00 O ATOM 0 H SER A 84 7.487 -8.557 4.314 1.00 0.00 H new ATOM 0 HA SER A 84 8.858 -10.015 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.664 -10.828 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.600 -11.983 3.375 1.00 0.00 H new ATOM 0 HG SER A 84 8.539 -11.572 5.469 1.00 0.00 H new ATOM 1361 N ARG A 85 5.589 -9.888 1.813 1.00 0.00 N ATOM 1362 CA ARG A 85 4.574 -10.123 0.738 1.00 0.00 C ATOM 1363 C ARG A 85 4.570 -8.957 -0.261 1.00 0.00 C ATOM 1364 O ARG A 85 3.706 -8.873 -1.113 1.00 0.00 O ATOM 1365 CB ARG A 85 3.182 -10.273 1.372 1.00 0.00 C ATOM 1366 CG ARG A 85 3.054 -11.649 2.048 1.00 0.00 C ATOM 1367 CD ARG A 85 4.022 -11.759 3.236 1.00 0.00 C ATOM 1368 NE ARG A 85 3.564 -12.853 4.141 1.00 0.00 N ATOM 1369 CZ ARG A 85 4.017 -12.926 5.365 1.00 0.00 C ATOM 1370 NH1 ARG A 85 4.864 -12.034 5.801 1.00 0.00 N ATOM 1371 NH2 ARG A 85 3.619 -13.889 6.151 1.00 0.00 N ATOM 0 H ARG A 85 5.220 -9.511 2.686 1.00 0.00 H new ATOM 0 HA ARG A 85 4.831 -11.037 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.021 -9.483 2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.412 -10.161 0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.030 -11.798 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.266 -12.437 1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.032 -11.964 2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.060 -10.814 3.778 1.00 0.00 H new ATOM 0 HE ARG A 85 2.896 -13.546 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.172 -11.280 5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.218 -12.091 6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.955 -14.584 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.972 -13.947 7.106 1.00 0.00 H new ATOM 1385 N ILE A 86 5.530 -8.064 -0.174 1.00 0.00 N ATOM 1386 CA ILE A 86 5.599 -6.901 -1.127 1.00 0.00 C ATOM 1387 C ILE A 86 7.023 -6.815 -1.686 1.00 0.00 C ATOM 1388 O ILE A 86 7.942 -7.387 -1.134 1.00 0.00 O ATOM 1389 CB ILE A 86 5.253 -5.597 -0.386 1.00 0.00 C ATOM 1390 CG1 ILE A 86 3.777 -5.631 0.082 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.463 -4.398 -1.329 1.00 0.00 C ATOM 1392 CD1 ILE A 86 3.587 -6.525 1.328 1.00 0.00 C ATOM 0 H ILE A 86 6.276 -8.089 0.521 1.00 0.00 H new ATOM 0 HA ILE A 86 4.886 -7.042 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 86 5.903 -5.498 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.445 -4.618 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.148 -5.999 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.218 -3.475 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.504 -4.367 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.816 -4.503 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.538 -6.520 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.894 -7.545 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.195 -6.142 2.147 1.00 0.00 H new ATOM 1404 N ARG A 87 7.213 -6.105 -2.780 1.00 0.00 N ATOM 1405 CA ARG A 87 8.580 -5.977 -3.389 1.00 0.00 C ATOM 1406 C ARG A 87 9.000 -4.508 -3.394 1.00 0.00 C ATOM 1407 O ARG A 87 8.683 -3.762 -4.300 1.00 0.00 O ATOM 1408 CB ARG A 87 8.540 -6.494 -4.830 1.00 0.00 C ATOM 1409 CG ARG A 87 9.964 -6.577 -5.384 1.00 0.00 C ATOM 1410 CD ARG A 87 9.926 -7.125 -6.813 1.00 0.00 C ATOM 1411 NE ARG A 87 9.368 -8.507 -6.800 1.00 0.00 N ATOM 1412 CZ ARG A 87 9.042 -9.091 -7.921 1.00 0.00 C ATOM 1413 NH1 ARG A 87 9.203 -8.464 -9.055 1.00 0.00 N ATOM 1414 NH2 ARG A 87 8.554 -10.301 -7.910 1.00 0.00 N ATOM 0 H ARG A 87 6.475 -5.607 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 87 9.295 -6.559 -2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.069 -7.476 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.936 -5.830 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.427 -5.590 -5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.574 -7.222 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.315 -6.480 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.929 -7.130 -7.239 1.00 0.00 H new ATOM 0 HE ARG A 87 9.241 -8.997 -5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.584 -7.518 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.948 -8.921 -9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.427 -10.792 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.300 -10.756 -8.787 1.00 0.00 H new ATOM 1428 N THR A 88 9.706 -4.084 -2.382 1.00 0.00 N ATOM 1429 CA THR A 88 10.144 -2.663 -2.324 1.00 0.00 C ATOM 1430 C THR A 88 11.136 -2.388 -3.454 1.00 0.00 C ATOM 1431 O THR A 88 12.044 -3.157 -3.696 1.00 0.00 O ATOM 1432 CB THR A 88 10.817 -2.391 -0.976 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.128 -2.936 -0.985 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.000 -3.037 0.144 1.00 0.00 C ATOM 0 H THR A 88 9.998 -4.661 -1.593 1.00 0.00 H new ATOM 0 HA THR A 88 9.277 -2.011 -2.436 1.00 0.00 H new ATOM 0 HB THR A 88 10.872 -1.316 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.387 -3.150 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.480 -2.843 1.103 1.00 0.00 H new ATOM 0 HG22 THR A 88 8.994 -2.617 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.942 -4.113 -0.022 1.00 0.00 H new ATOM 1442 N VAL A 89 10.965 -1.288 -4.144 1.00 0.00 N ATOM 1443 CA VAL A 89 11.890 -0.932 -5.266 1.00 0.00 C ATOM 1444 C VAL A 89 12.866 0.140 -4.785 1.00 0.00 C ATOM 1445 O VAL A 89 12.545 1.311 -4.755 1.00 0.00 O ATOM 1446 CB VAL A 89 11.075 -0.383 -6.438 1.00 0.00 C ATOM 1447 CG1 VAL A 89 12.013 -0.038 -7.597 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.067 -1.441 -6.895 1.00 0.00 C ATOM 0 H VAL A 89 10.217 -0.615 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 89 12.440 -1.817 -5.586 1.00 0.00 H new ATOM 0 HB VAL A 89 10.544 0.515 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.431 0.353 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.732 0.714 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.545 -0.935 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.485 -1.052 -7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.599 -2.338 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.398 -1.687 -6.070 1.00 0.00 H new ATOM 1509 N GLY A 93 9.912 4.036 -6.026 1.00 0.00 N ATOM 1510 CA GLY A 93 8.519 3.504 -6.093 1.00 0.00 C ATOM 1511 C GLY A 93 8.413 2.187 -5.326 1.00 0.00 C ATOM 1512 O GLY A 93 9.292 1.815 -4.574 1.00 0.00 O ATOM 0 HA2 GLY A 93 7.824 4.232 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.231 3.350 -7.133 1.00 0.00 H new ATOM 1516 N TYR A 94 7.327 1.485 -5.513 1.00 0.00 N ATOM 1517 CA TYR A 94 7.116 0.184 -4.807 1.00 0.00 C ATOM 1518 C TYR A 94 6.340 -0.746 -5.740 1.00 0.00 C ATOM 1519 O TYR A 94 5.853 -0.331 -6.772 1.00 0.00 O ATOM 1520 CB TYR A 94 6.306 0.434 -3.520 1.00 0.00 C ATOM 1521 CG TYR A 94 7.234 0.870 -2.407 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.662 2.200 -2.327 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.671 -0.063 -1.459 1.00 0.00 C ATOM 1524 CE1 TYR A 94 8.526 2.595 -1.301 1.00 0.00 C ATOM 1525 CE2 TYR A 94 8.533 0.331 -0.433 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.962 1.660 -0.352 1.00 0.00 C ATOM 1527 OH TYR A 94 9.815 2.050 0.660 1.00 0.00 O ATOM 0 H TYR A 94 6.566 1.761 -6.133 1.00 0.00 H new ATOM 0 HA TYR A 94 8.071 -0.270 -4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.551 1.200 -3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.777 -0.474 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.325 2.921 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.341 -1.089 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.858 3.621 -1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.868 -0.390 0.298 1.00 0.00 H new ATOM 0 HH TYR A 94 10.018 1.280 1.231 1.00 0.00 H new ATOM 1537 N MET A 95 6.220 -2.001 -5.398 1.00 0.00 N ATOM 1538 CA MET A 95 5.474 -2.933 -6.297 1.00 0.00 C ATOM 1539 C MET A 95 5.052 -4.184 -5.525 1.00 0.00 C ATOM 1540 O MET A 95 5.854 -4.842 -4.893 1.00 0.00 O ATOM 1541 CB MET A 95 6.380 -3.327 -7.468 1.00 0.00 C ATOM 1542 CG MET A 95 5.674 -4.358 -8.354 1.00 0.00 C ATOM 1543 SD MET A 95 6.584 -4.524 -9.918 1.00 0.00 S ATOM 1544 CE MET A 95 6.812 -6.322 -9.907 1.00 0.00 C ATOM 0 H MET A 95 6.600 -2.418 -4.548 1.00 0.00 H new ATOM 0 HA MET A 95 4.579 -2.437 -6.673 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.634 -2.444 -8.055 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.316 -3.739 -7.091 1.00 0.00 H new ATOM 0 HG2 MET A 95 5.624 -5.320 -7.844 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.648 -4.047 -8.548 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.519 -6.604 -10.687 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.199 -6.634 -8.937 1.00 0.00 H new ATOM 0 HE3 MET A 95 5.855 -6.811 -10.090 1.00 0.00 H new ATOM 1554 N LEU A 96 3.790 -4.518 -5.585 1.00 0.00 N ATOM 1555 CA LEU A 96 3.293 -5.731 -4.869 1.00 0.00 C ATOM 1556 C LEU A 96 3.597 -6.970 -5.720 1.00 0.00 C ATOM 1557 O LEU A 96 3.464 -6.954 -6.927 1.00 0.00 O ATOM 1558 CB LEU A 96 1.771 -5.606 -4.652 1.00 0.00 C ATOM 1559 CG LEU A 96 1.479 -4.747 -3.414 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.187 -3.395 -3.533 1.00 0.00 C ATOM 1561 CD2 LEU A 96 -0.031 -4.522 -3.302 1.00 0.00 C ATOM 0 H LEU A 96 3.078 -4.001 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 96 3.786 -5.823 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.307 -5.159 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.332 -6.596 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 96 1.844 -5.262 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.973 -2.793 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.262 -3.553 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.830 -2.874 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.244 -3.912 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.390 -4.010 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.536 -5.483 -3.207 1.00 0.00 H new ATOM 1573 N ALA A 97 4.004 -8.043 -5.097 1.00 0.00 N ATOM 1574 CA ALA A 97 4.314 -9.280 -5.868 1.00 0.00 C ATOM 1575 C ALA A 97 3.010 -9.935 -6.326 1.00 0.00 C ATOM 1576 O ALA A 97 2.293 -10.527 -5.544 1.00 0.00 O ATOM 1577 CB ALA A 97 5.088 -10.254 -4.978 1.00 0.00 C ATOM 0 H ALA A 97 4.135 -8.116 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 97 4.918 -9.024 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.315 -11.159 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.017 -9.788 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.484 -10.510 -4.108 1.00 0.00 H new ATOM 1583 N ASN A 98 2.696 -9.835 -7.589 1.00 0.00 N ATOM 1584 CA ASN A 98 1.438 -10.452 -8.095 1.00 0.00 C ATOM 1585 C ASN A 98 1.574 -11.976 -8.075 1.00 0.00 C ATOM 1586 O ASN A 98 2.486 -12.534 -8.651 1.00 0.00 O ATOM 1587 CB ASN A 98 1.178 -9.981 -9.527 1.00 0.00 C ATOM 1588 CG ASN A 98 2.440 -10.182 -10.369 1.00 0.00 C ATOM 1589 OD1 ASN A 98 2.801 -11.298 -10.684 1.00 0.00 O ATOM 1590 ND2 ASN A 98 3.129 -9.142 -10.749 1.00 0.00 N ATOM 0 H ASN A 98 3.256 -9.353 -8.292 1.00 0.00 H new ATOM 0 HA ASN A 98 0.605 -10.153 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.347 -10.539 -9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.891 -8.929 -9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.971 -9.266 -11.311 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.826 -8.205 -10.484 1.00 0.00 H new