USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 812 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 22 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-1.7) USER MOD Set 1.2: A 81 SER OG : rot -140:sc= 0 USER MOD Set 2.1: A 29 ASN : amide:sc= -1.43 K(o=-21,f=-20!) USER MOD Set 2.2: A 74 GLN : amide:sc= -19.4! C(o=-21!,f=-12!) USER MOD Set 3.1: A 61 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Set 3.2: A 65 GLN : amide:sc= -3.29! K(o=-3.3!,f=-1.1) USER MOD Set 4.1: A 36 HIS : no HD1:sc= -3.48 K(o=-3.5,f=-4.6!) USER MOD Set 4.2: A 66 GLN : amide:sc= -0.0283 X(o=-3.5,f=-3.6) USER MOD Single : A 1 MET CE :methyl -151:sc= -0.929 (180deg=-1.15!) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.822 (180deg=-1.55!) USER MOD Single : A 2 TYR OH : rot -130:sc= -1.94! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -6.99! C(o=-7!,f=-9.8!) USER MOD Single : A 13 GLN : amide:sc= -0.698 K(o=-0.7,f=-0.037) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.4!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 24 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.62) USER MOD Single : A 27 GLN : amide:sc= -0.764 K(o=-0.76,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -108:sc= -0.0207 (180deg=-0.271) USER MOD Single : A 31 ASN : amide:sc= -3.67! K(o=-3.7!,f=-0.13) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.579 K(o=-0.58,f=-1.8) USER MOD Single : A 38 GLN : amide:sc= 0.858 K(o=0.86,f=-0.27) USER MOD Single : A 39 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.2!) USER MOD Single : A 45 HIS : no HE2:sc= 0.068 K(o=0.068,f=-1.2) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -9.01! C(o=-9!,f=-4.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= -0.141 (180deg=-0.896) USER MOD Single : A 58 GLN : amide:sc= -6.95! K(o=-7!,f=-3) USER MOD Single : A 60 MET CE :methyl -155:sc= -2.36 (180deg=-4.65!) USER MOD Single : A 62 LYS NZ :NH3+ -106:sc= -0.158 (180deg=-1.18) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 80 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.77) USER MOD Single : A 83 HIS : no HE2:sc= -2.01! C(o=-2!,f=-8!) USER MOD Single : A 84 ASN : amide:sc= -1.13! C(o=-1.1!,f=-4!) USER MOD Single : A 86 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.56) USER MOD Single : A 88 ASN : amide:sc= -0.0697 K(o=-0.07,f=-2.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.988 K(o=-0.99,f=-0.24) USER MOD Single : A 95 HIS : no HE2:sc= -0.492 K(o=-0.49,f=-2.1) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.405 -18.143 -12.313 1.00 0.00 N ATOM 2 CA MET A 1 4.343 -17.792 -11.327 1.00 0.00 C ATOM 3 C MET A 1 3.320 -16.866 -11.987 1.00 0.00 C ATOM 4 O MET A 1 3.634 -16.130 -12.901 1.00 0.00 O ATOM 5 CB MET A 1 4.976 -17.079 -10.130 1.00 0.00 C ATOM 6 CG MET A 1 5.724 -15.834 -10.614 1.00 0.00 C ATOM 7 SD MET A 1 7.345 -16.316 -11.261 1.00 0.00 S ATOM 8 CE MET A 1 7.243 -15.412 -12.827 1.00 0.00 C ATOM 0 H1 MET A 1 5.336 -19.153 -12.553 1.00 0.00 H new ATOM 0 H2 MET A 1 5.281 -17.574 -13.174 1.00 0.00 H new ATOM 0 H3 MET A 1 6.340 -17.948 -11.901 1.00 0.00 H new ATOM 0 HA MET A 1 3.846 -18.701 -10.989 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.206 -16.797 -9.412 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.662 -17.751 -9.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.147 -15.329 -11.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.844 -15.127 -9.793 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.835 -15.927 -13.584 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.204 -15.362 -13.151 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.629 -14.402 -12.690 1.00 0.00 H new ATOM 20 N TYR A 2 2.098 -16.892 -11.528 1.00 0.00 N ATOM 21 CA TYR A 2 1.058 -16.009 -12.128 1.00 0.00 C ATOM 22 C TYR A 2 1.692 -14.668 -12.502 1.00 0.00 C ATOM 23 O TYR A 2 1.877 -14.358 -13.663 1.00 0.00 O ATOM 24 CB TYR A 2 -0.063 -15.776 -11.112 1.00 0.00 C ATOM 25 CG TYR A 2 0.193 -16.613 -9.883 1.00 0.00 C ATOM 26 CD1 TYR A 2 -0.226 -17.948 -9.846 1.00 0.00 C ATOM 27 CD2 TYR A 2 0.854 -16.056 -8.781 1.00 0.00 C ATOM 28 CE1 TYR A 2 0.015 -18.727 -8.709 1.00 0.00 C ATOM 29 CE2 TYR A 2 1.095 -16.835 -7.644 1.00 0.00 C ATOM 30 CZ TYR A 2 0.676 -18.170 -7.607 1.00 0.00 C ATOM 31 OH TYR A 2 0.913 -18.937 -6.486 1.00 0.00 O ATOM 0 H TYR A 2 1.775 -17.486 -10.764 1.00 0.00 H new ATOM 0 HA TYR A 2 0.646 -16.482 -13.019 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.112 -14.721 -10.843 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.026 -16.038 -11.550 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.736 -18.377 -10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 2 1.177 -15.026 -8.809 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.308 -19.757 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.605 -16.406 -6.794 1.00 0.00 H new ATOM 0 HH TYR A 2 0.610 -18.454 -5.689 1.00 0.00 H new ATOM 41 N GLY A 3 2.032 -13.872 -11.525 1.00 0.00 N ATOM 42 CA GLY A 3 2.657 -12.552 -11.823 1.00 0.00 C ATOM 43 C GLY A 3 1.663 -11.430 -11.518 1.00 0.00 C ATOM 44 O GLY A 3 1.950 -10.266 -11.714 1.00 0.00 O ATOM 0 H GLY A 3 1.904 -14.078 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.560 -12.423 -11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.958 -12.509 -12.870 1.00 0.00 H new ATOM 48 N LYS A 4 0.495 -11.766 -11.043 1.00 0.00 N ATOM 49 CA LYS A 4 -0.511 -10.711 -10.730 1.00 0.00 C ATOM 50 C LYS A 4 0.049 -9.784 -9.652 1.00 0.00 C ATOM 51 O LYS A 4 -0.049 -8.578 -9.748 1.00 0.00 O ATOM 52 CB LYS A 4 -1.799 -11.357 -10.220 1.00 0.00 C ATOM 53 CG LYS A 4 -2.255 -12.433 -11.207 1.00 0.00 C ATOM 54 CD LYS A 4 -3.745 -12.254 -11.510 1.00 0.00 C ATOM 55 CE LYS A 4 -4.126 -13.116 -12.715 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.565 -13.495 -12.620 1.00 0.00 N ATOM 0 H LYS A 4 0.194 -12.723 -10.858 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.727 -10.141 -11.633 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.633 -11.797 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.576 -10.602 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.676 -12.365 -12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.075 -13.424 -10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.340 -12.539 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.962 -11.206 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.943 -12.568 -13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.505 -14.011 -12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.824 -14.081 -13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.725 -14.033 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.150 -12.635 -12.610 1.00 0.00 H new ATOM 70 N LEU A 5 0.636 -10.335 -8.625 1.00 0.00 N ATOM 71 CA LEU A 5 1.198 -9.473 -7.550 1.00 0.00 C ATOM 72 C LEU A 5 1.851 -8.249 -8.188 1.00 0.00 C ATOM 73 O LEU A 5 1.470 -7.128 -7.919 1.00 0.00 O ATOM 74 CB LEU A 5 2.240 -10.252 -6.743 1.00 0.00 C ATOM 75 CG LEU A 5 1.609 -11.497 -6.097 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.114 -11.286 -5.838 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.794 -12.697 -7.023 1.00 0.00 C ATOM 0 H LEU A 5 0.750 -11.339 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 5 0.398 -9.159 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.062 -10.551 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.663 -9.610 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 5 2.104 -11.677 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.306 -12.182 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.023 -10.438 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.394 -11.088 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.347 -13.581 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.309 -12.497 -7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.858 -12.871 -7.185 1.00 0.00 H new ATOM 89 N ASN A 6 2.822 -8.443 -9.039 1.00 0.00 N ATOM 90 CA ASN A 6 3.462 -7.270 -9.686 1.00 0.00 C ATOM 91 C ASN A 6 2.366 -6.262 -10.030 1.00 0.00 C ATOM 92 O ASN A 6 2.558 -5.064 -9.943 1.00 0.00 O ATOM 93 CB ASN A 6 4.180 -7.710 -10.961 1.00 0.00 C ATOM 94 CG ASN A 6 4.242 -9.237 -11.019 1.00 0.00 C ATOM 95 OD1 ASN A 6 4.391 -9.890 -10.006 1.00 0.00 O ATOM 96 ND2 ASN A 6 4.134 -9.837 -12.172 1.00 0.00 N ATOM 0 H ASN A 6 3.194 -9.353 -9.310 1.00 0.00 H new ATOM 0 HA ASN A 6 4.193 -6.819 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.656 -7.325 -11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.188 -7.295 -10.984 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.175 -10.855 -12.223 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.009 -9.288 -13.023 1.00 0.00 H new ATOM 103 N ASP A 7 1.203 -6.739 -10.396 1.00 0.00 N ATOM 104 CA ASP A 7 0.089 -5.806 -10.715 1.00 0.00 C ATOM 105 C ASP A 7 -0.340 -5.125 -9.417 1.00 0.00 C ATOM 106 O ASP A 7 -0.636 -3.947 -9.385 1.00 0.00 O ATOM 107 CB ASP A 7 -1.090 -6.587 -11.301 1.00 0.00 C ATOM 108 CG ASP A 7 -1.956 -5.646 -12.140 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.470 -4.587 -12.499 1.00 0.00 O ATOM 110 OD2 ASP A 7 -3.094 -5.999 -12.407 1.00 0.00 O ATOM 0 H ASP A 7 0.981 -7.730 -10.486 1.00 0.00 H new ATOM 0 HA ASP A 7 0.413 -5.065 -11.446 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.726 -7.409 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.683 -7.027 -10.499 1.00 0.00 H new ATOM 115 N LEU A 8 -0.351 -5.862 -8.339 1.00 0.00 N ATOM 116 CA LEU A 8 -0.729 -5.272 -7.027 1.00 0.00 C ATOM 117 C LEU A 8 0.482 -4.512 -6.479 1.00 0.00 C ATOM 118 O LEU A 8 0.399 -3.357 -6.113 1.00 0.00 O ATOM 119 CB LEU A 8 -1.093 -6.398 -6.046 1.00 0.00 C ATOM 120 CG LEU A 8 -2.609 -6.473 -5.831 1.00 0.00 C ATOM 121 CD1 LEU A 8 -3.150 -5.102 -5.426 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.292 -6.935 -7.120 1.00 0.00 C ATOM 0 H LEU A 8 -0.113 -6.853 -8.313 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.582 -4.604 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.729 -7.351 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.595 -6.228 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.818 -7.187 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.228 -5.166 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.673 -4.782 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.936 -4.379 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.369 -6.987 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.076 -6.227 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.918 -7.921 -7.397 1.00 0.00 H new ATOM 134 N LEU A 9 1.606 -5.174 -6.418 1.00 0.00 N ATOM 135 CA LEU A 9 2.845 -4.535 -5.896 1.00 0.00 C ATOM 136 C LEU A 9 3.198 -3.296 -6.724 1.00 0.00 C ATOM 137 O LEU A 9 3.323 -2.207 -6.202 1.00 0.00 O ATOM 138 CB LEU A 9 3.993 -5.545 -5.983 1.00 0.00 C ATOM 139 CG LEU A 9 5.314 -4.859 -5.625 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.312 -5.909 -5.136 1.00 0.00 C ATOM 141 CD2 LEU A 9 5.894 -4.139 -6.851 1.00 0.00 C ATOM 0 H LEU A 9 1.718 -6.144 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 9 2.684 -4.230 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.809 -6.378 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.049 -5.960 -6.989 1.00 0.00 H new ATOM 0 HG LEU A 9 5.129 -4.125 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.254 -5.424 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.911 -6.410 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.484 -6.642 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.833 -3.657 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.075 -4.862 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.187 -3.386 -7.199 1.00 0.00 H new ATOM 153 N GLU A 10 3.373 -3.453 -8.006 1.00 0.00 N ATOM 154 CA GLU A 10 3.730 -2.282 -8.855 1.00 0.00 C ATOM 155 C GLU A 10 2.641 -1.214 -8.745 1.00 0.00 C ATOM 156 O GLU A 10 2.905 -0.080 -8.394 1.00 0.00 O ATOM 157 CB GLU A 10 3.864 -2.728 -10.312 1.00 0.00 C ATOM 158 CG GLU A 10 4.648 -1.677 -11.101 1.00 0.00 C ATOM 159 CD GLU A 10 5.994 -2.262 -11.536 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.725 -2.720 -10.673 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.271 -2.241 -12.724 1.00 0.00 O ATOM 0 H GLU A 10 3.285 -4.340 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 10 4.678 -1.866 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.374 -3.690 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.877 -2.866 -10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.077 -1.362 -11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.806 -0.790 -10.488 1.00 0.00 H new ATOM 168 N ASP A 11 1.419 -1.561 -9.040 1.00 0.00 N ATOM 169 CA ASP A 11 0.321 -0.557 -8.949 1.00 0.00 C ATOM 170 C ASP A 11 0.277 0.012 -7.531 1.00 0.00 C ATOM 171 O ASP A 11 -0.261 1.075 -7.293 1.00 0.00 O ATOM 172 CB ASP A 11 -1.017 -1.228 -9.268 1.00 0.00 C ATOM 173 CG ASP A 11 -0.959 -1.850 -10.664 1.00 0.00 C ATOM 174 OD1 ASP A 11 0.127 -1.921 -11.216 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.002 -2.244 -11.158 1.00 0.00 O ATOM 0 H ASP A 11 1.133 -2.493 -9.339 1.00 0.00 H new ATOM 0 HA ASP A 11 0.502 0.246 -9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.237 -1.995 -8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.823 -0.496 -9.218 1.00 0.00 H new ATOM 180 N LEU A 12 0.838 -0.692 -6.587 1.00 0.00 N ATOM 181 CA LEU A 12 0.834 -0.204 -5.180 1.00 0.00 C ATOM 182 C LEU A 12 1.958 0.817 -4.991 1.00 0.00 C ATOM 183 O LEU A 12 1.720 1.982 -4.738 1.00 0.00 O ATOM 184 CB LEU A 12 1.048 -1.397 -4.240 1.00 0.00 C ATOM 185 CG LEU A 12 1.657 -0.934 -2.913 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.733 0.088 -2.251 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.821 -2.143 -1.990 1.00 0.00 C ATOM 0 H LEU A 12 1.301 -1.589 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.120 0.273 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.097 -1.897 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.705 -2.127 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 12 2.628 -0.474 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.169 0.415 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.609 0.947 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.239 -0.368 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.254 -1.822 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.847 -2.597 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.479 -2.873 -2.461 1.00 0.00 H new ATOM 199 N GLN A 13 3.184 0.384 -5.105 1.00 0.00 N ATOM 200 CA GLN A 13 4.329 1.322 -4.926 1.00 0.00 C ATOM 201 C GLN A 13 4.097 2.584 -5.761 1.00 0.00 C ATOM 202 O GLN A 13 4.509 3.666 -5.392 1.00 0.00 O ATOM 203 CB GLN A 13 5.623 0.634 -5.368 1.00 0.00 C ATOM 204 CG GLN A 13 5.833 0.842 -6.869 1.00 0.00 C ATOM 205 CD GLN A 13 7.016 -0.007 -7.340 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.063 -0.423 -8.480 1.00 0.00 O ATOM 207 NE2 GLN A 13 7.981 -0.279 -6.504 1.00 0.00 N ATOM 0 H GLN A 13 3.443 -0.580 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 13 4.411 1.602 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.469 1.039 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.575 -0.431 -5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.932 0.564 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.021 1.895 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.940 0.071 -5.547 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.776 -0.842 -6.808 1.00 0.00 H new ATOM 216 N GLU A 14 3.437 2.459 -6.880 1.00 0.00 N ATOM 217 CA GLU A 14 3.178 3.659 -7.724 1.00 0.00 C ATOM 218 C GLU A 14 2.345 4.659 -6.926 1.00 0.00 C ATOM 219 O GLU A 14 2.775 5.763 -6.657 1.00 0.00 O ATOM 220 CB GLU A 14 2.409 3.247 -8.977 1.00 0.00 C ATOM 221 CG GLU A 14 3.354 2.538 -9.951 1.00 0.00 C ATOM 222 CD GLU A 14 2.544 1.623 -10.872 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.954 2.132 -11.809 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.529 0.429 -10.622 1.00 0.00 O ATOM 0 H GLU A 14 3.067 1.581 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 14 4.125 4.114 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.585 2.586 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.972 4.125 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.903 3.272 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.092 1.956 -9.400 1.00 0.00 H new ATOM 231 N VAL A 15 1.159 4.281 -6.534 1.00 0.00 N ATOM 232 CA VAL A 15 0.314 5.209 -5.746 1.00 0.00 C ATOM 233 C VAL A 15 1.181 5.860 -4.668 1.00 0.00 C ATOM 234 O VAL A 15 0.997 7.006 -4.313 1.00 0.00 O ATOM 235 CB VAL A 15 -0.830 4.416 -5.107 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.062 3.130 -5.896 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.478 4.061 -3.659 1.00 0.00 C ATOM 0 H VAL A 15 0.743 3.370 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.108 5.985 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.734 5.026 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.876 2.566 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.322 3.377 -6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.153 2.528 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.297 3.497 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.429 3.457 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.315 4.976 -3.089 1.00 0.00 H new ATOM 247 N LEU A 16 2.135 5.131 -4.157 1.00 0.00 N ATOM 248 CA LEU A 16 3.027 5.698 -3.112 1.00 0.00 C ATOM 249 C LEU A 16 3.925 6.755 -3.756 1.00 0.00 C ATOM 250 O LEU A 16 4.337 7.705 -3.122 1.00 0.00 O ATOM 251 CB LEU A 16 3.877 4.570 -2.510 1.00 0.00 C ATOM 252 CG LEU A 16 5.248 5.098 -2.067 1.00 0.00 C ATOM 253 CD1 LEU A 16 5.070 6.215 -1.032 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.046 3.952 -1.441 1.00 0.00 C ATOM 0 H LEU A 16 2.334 4.166 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 16 2.440 6.159 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.358 4.133 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.008 3.776 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 16 5.779 5.494 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.048 6.584 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.497 7.031 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.538 5.825 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.022 4.319 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.507 3.562 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.179 3.157 -2.175 1.00 0.00 H new ATOM 266 N LYS A 17 4.222 6.602 -5.019 1.00 0.00 N ATOM 267 CA LYS A 17 5.086 7.606 -5.703 1.00 0.00 C ATOM 268 C LYS A 17 4.308 8.914 -5.853 1.00 0.00 C ATOM 269 O LYS A 17 4.709 9.948 -5.353 1.00 0.00 O ATOM 270 CB LYS A 17 5.484 7.084 -7.088 1.00 0.00 C ATOM 271 CG LYS A 17 5.739 8.268 -8.027 1.00 0.00 C ATOM 272 CD LYS A 17 6.661 7.833 -9.167 1.00 0.00 C ATOM 273 CE LYS A 17 6.543 8.826 -10.327 1.00 0.00 C ATOM 274 NZ LYS A 17 7.901 9.300 -10.716 1.00 0.00 N ATOM 0 H LYS A 17 3.905 5.829 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 17 5.986 7.778 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.379 6.467 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.693 6.451 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.795 8.635 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.191 9.092 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.692 7.787 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.393 6.831 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.054 8.351 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.921 9.672 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.821 9.974 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.351 9.768 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.480 8.489 -11.012 1.00 0.00 H new ATOM 288 N HIS A 18 3.197 8.877 -6.534 1.00 0.00 N ATOM 289 CA HIS A 18 2.388 10.114 -6.715 1.00 0.00 C ATOM 290 C HIS A 18 1.913 10.613 -5.350 1.00 0.00 C ATOM 291 O HIS A 18 1.222 11.606 -5.248 1.00 0.00 O ATOM 292 CB HIS A 18 1.176 9.803 -7.594 1.00 0.00 C ATOM 293 CG HIS A 18 1.477 10.170 -9.022 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.398 11.476 -9.485 1.00 0.00 N ATOM 295 CD2 HIS A 18 1.855 9.411 -10.104 1.00 0.00 C ATOM 296 CE1 HIS A 18 1.722 11.464 -10.791 1.00 0.00 C ATOM 297 NE2 HIS A 18 2.009 10.233 -11.214 1.00 0.00 N ATOM 0 H HIS A 18 2.813 8.041 -6.974 1.00 0.00 H new ATOM 0 HA HIS A 18 2.996 10.883 -7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.927 8.744 -7.525 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.307 10.358 -7.241 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.008 8.342 -10.093 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.746 12.343 -11.419 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.284 9.953 -12.155 1.00 0.00 H new ATOM 306 N VAL A 19 2.277 9.929 -4.300 1.00 0.00 N ATOM 307 CA VAL A 19 1.845 10.364 -2.942 1.00 0.00 C ATOM 308 C VAL A 19 2.960 11.185 -2.293 1.00 0.00 C ATOM 309 O VAL A 19 2.740 12.278 -1.810 1.00 0.00 O ATOM 310 CB VAL A 19 1.551 9.132 -2.084 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.724 9.486 -0.607 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.113 8.674 -2.331 1.00 0.00 C ATOM 0 H VAL A 19 2.854 9.088 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 19 0.945 10.974 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 19 2.241 8.331 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.515 8.608 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.748 9.816 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.033 10.286 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.099 7.796 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.575 9.476 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.013 8.423 -3.384 1.00 0.00 H new ATOM 322 N ASN A 20 4.157 10.667 -2.278 1.00 0.00 N ATOM 323 CA ASN A 20 5.285 11.418 -1.663 1.00 0.00 C ATOM 324 C ASN A 20 5.464 12.753 -2.388 1.00 0.00 C ATOM 325 O ASN A 20 6.176 13.628 -1.936 1.00 0.00 O ATOM 326 CB ASN A 20 6.569 10.595 -1.783 1.00 0.00 C ATOM 327 CG ASN A 20 6.511 9.416 -0.810 1.00 0.00 C ATOM 328 OD1 ASN A 20 5.589 9.305 -0.026 1.00 0.00 O ATOM 329 ND2 ASN A 20 7.464 8.526 -0.825 1.00 0.00 N ATOM 0 H ASN A 20 4.402 9.756 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 20 5.069 11.603 -0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.687 10.232 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.436 11.219 -1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.435 7.737 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.238 8.619 -1.483 1.00 0.00 H new ATOM 336 N GLN A 21 4.820 12.918 -3.513 1.00 0.00 N ATOM 337 CA GLN A 21 4.953 14.196 -4.268 1.00 0.00 C ATOM 338 C GLN A 21 3.815 15.140 -3.879 1.00 0.00 C ATOM 339 O GLN A 21 3.922 16.344 -4.010 1.00 0.00 O ATOM 340 CB GLN A 21 4.885 13.911 -5.770 1.00 0.00 C ATOM 341 CG GLN A 21 5.721 14.948 -6.524 1.00 0.00 C ATOM 342 CD GLN A 21 5.631 14.683 -8.027 1.00 0.00 C ATOM 343 OE1 GLN A 21 5.391 13.568 -8.445 1.00 0.00 O ATOM 344 NE2 GLN A 21 5.812 15.669 -8.863 1.00 0.00 N ATOM 0 H GLN A 21 4.208 12.223 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 21 5.909 14.660 -4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.257 12.908 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.850 13.945 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.362 15.952 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.760 14.900 -6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.013 16.605 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.752 15.503 -9.868 1.00 0.00 H new ATOM 353 N HIS A 22 2.723 14.608 -3.404 1.00 0.00 N ATOM 354 CA HIS A 22 1.581 15.478 -3.010 1.00 0.00 C ATOM 355 C HIS A 22 1.229 15.228 -1.543 1.00 0.00 C ATOM 356 O HIS A 22 0.076 15.256 -1.159 1.00 0.00 O ATOM 357 CB HIS A 22 0.368 15.155 -3.886 1.00 0.00 C ATOM 358 CG HIS A 22 0.541 15.790 -5.238 1.00 0.00 C ATOM 359 ND1 HIS A 22 -0.011 17.025 -5.553 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.197 15.373 -6.371 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.322 17.305 -6.827 1.00 0.00 C ATOM 362 NE2 HIS A 22 1.056 16.332 -7.368 1.00 0.00 N ATOM 0 H HIS A 22 2.573 13.608 -3.272 1.00 0.00 H new ATOM 0 HA HIS A 22 1.860 16.523 -3.143 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.259 14.076 -3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.543 15.523 -3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.738 14.444 -6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.031 18.206 -7.346 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.435 16.298 -8.315 1.00 0.00 H new ATOM 371 N TRP A 23 2.209 14.983 -0.718 1.00 0.00 N ATOM 372 CA TRP A 23 1.919 14.734 0.721 1.00 0.00 C ATOM 373 C TRP A 23 1.591 16.057 1.408 1.00 0.00 C ATOM 374 O TRP A 23 2.170 17.084 1.111 1.00 0.00 O ATOM 375 CB TRP A 23 3.134 14.101 1.396 1.00 0.00 C ATOM 376 CG TRP A 23 2.704 13.514 2.698 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.514 14.210 3.839 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.394 12.127 3.009 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.108 13.337 4.832 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.021 12.040 4.368 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.403 10.950 2.248 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.669 10.825 4.955 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.050 9.722 2.831 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.683 9.660 4.183 1.00 0.00 C ATOM 0 H TRP A 23 3.195 14.945 -0.977 1.00 0.00 H new ATOM 0 HA TRP A 23 1.070 14.056 0.803 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.563 13.329 0.756 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.910 14.849 1.556 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.656 15.274 3.957 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.898 13.617 5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.683 10.988 1.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.388 10.785 5.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.061 8.821 2.235 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.412 8.714 4.627 1.00 0.00 H new ATOM 395 N GLN A 24 0.667 16.041 2.325 1.00 0.00 N ATOM 396 CA GLN A 24 0.300 17.300 3.032 1.00 0.00 C ATOM 397 C GLN A 24 -0.200 16.971 4.439 1.00 0.00 C ATOM 398 O GLN A 24 -1.160 16.246 4.613 1.00 0.00 O ATOM 399 CB GLN A 24 -0.800 18.019 2.252 1.00 0.00 C ATOM 400 CG GLN A 24 -0.208 19.241 1.548 1.00 0.00 C ATOM 401 CD GLN A 24 -0.169 20.421 2.519 1.00 0.00 C ATOM 402 OE1 GLN A 24 0.688 20.489 3.378 1.00 0.00 O ATOM 403 NE2 GLN A 24 -1.068 21.362 2.421 1.00 0.00 N ATOM 0 H GLN A 24 0.149 15.212 2.616 1.00 0.00 H new ATOM 0 HA GLN A 24 1.176 17.945 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.243 17.343 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.599 18.326 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.797 19.017 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.807 19.496 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.788 21.306 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.051 22.153 3.065 1.00 0.00 H new ATOM 412 N GLY A 25 0.442 17.498 5.445 1.00 0.00 N ATOM 413 CA GLY A 25 0.003 17.217 6.840 1.00 0.00 C ATOM 414 C GLY A 25 1.184 16.680 7.650 1.00 0.00 C ATOM 415 O GLY A 25 1.120 15.611 8.226 1.00 0.00 O ATOM 0 H GLY A 25 1.252 18.112 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.384 18.126 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.810 16.491 6.837 1.00 0.00 H new ATOM 419 N GLY A 26 2.264 17.411 7.700 1.00 0.00 N ATOM 420 CA GLY A 26 3.448 16.939 8.474 1.00 0.00 C ATOM 421 C GLY A 26 4.401 16.192 7.540 1.00 0.00 C ATOM 422 O GLY A 26 4.307 14.993 7.370 1.00 0.00 O ATOM 0 H GLY A 26 2.378 18.314 7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.959 17.787 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.129 16.284 9.285 1.00 0.00 H new ATOM 426 N GLN A 27 5.319 16.893 6.929 1.00 0.00 N ATOM 427 CA GLN A 27 6.275 16.223 6.004 1.00 0.00 C ATOM 428 C GLN A 27 7.055 15.144 6.760 1.00 0.00 C ATOM 429 O GLN A 27 7.950 14.522 6.220 1.00 0.00 O ATOM 430 CB GLN A 27 7.253 17.255 5.440 1.00 0.00 C ATOM 431 CG GLN A 27 7.586 16.902 3.989 1.00 0.00 C ATOM 432 CD GLN A 27 8.582 17.919 3.429 1.00 0.00 C ATOM 433 OE1 GLN A 27 9.448 17.573 2.649 1.00 0.00 O ATOM 434 NE2 GLN A 27 8.497 19.168 3.796 1.00 0.00 N ATOM 0 H GLN A 27 5.447 17.900 7.031 1.00 0.00 H new ATOM 0 HA GLN A 27 5.720 15.763 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.816 18.252 5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.163 17.274 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.007 15.898 3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.677 16.899 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.771 19.459 4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.157 19.854 3.429 1.00 0.00 H new ATOM 443 N LYS A 28 6.724 14.912 8.001 1.00 0.00 N ATOM 444 CA LYS A 28 7.451 13.870 8.780 1.00 0.00 C ATOM 445 C LYS A 28 6.818 12.505 8.510 1.00 0.00 C ATOM 446 O LYS A 28 7.470 11.482 8.575 1.00 0.00 O ATOM 447 CB LYS A 28 7.362 14.188 10.275 1.00 0.00 C ATOM 448 CG LYS A 28 6.002 14.812 10.587 1.00 0.00 C ATOM 449 CD LYS A 28 5.646 14.553 12.053 1.00 0.00 C ATOM 450 CE LYS A 28 4.444 15.414 12.449 1.00 0.00 C ATOM 451 NZ LYS A 28 4.877 16.446 13.435 1.00 0.00 N ATOM 0 H LYS A 28 5.984 15.397 8.508 1.00 0.00 H new ATOM 0 HA LYS A 28 8.498 13.855 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.498 13.278 10.859 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.161 14.872 10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.029 15.884 10.392 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.238 14.388 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.415 13.498 12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.499 14.785 12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.020 15.893 11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.661 14.789 12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.061 17.032 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.262 15.978 14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.610 17.048 13.008 1.00 0.00 H new ATOM 465 N ASN A 29 5.551 12.482 8.203 1.00 0.00 N ATOM 466 CA ASN A 29 4.876 11.185 7.925 1.00 0.00 C ATOM 467 C ASN A 29 5.477 10.561 6.664 1.00 0.00 C ATOM 468 O ASN A 29 5.584 9.357 6.546 1.00 0.00 O ATOM 469 CB ASN A 29 3.380 11.425 7.716 1.00 0.00 C ATOM 470 CG ASN A 29 2.873 12.417 8.766 1.00 0.00 C ATOM 471 OD1 ASN A 29 2.275 13.421 8.433 1.00 0.00 O ATOM 472 ND2 ASN A 29 3.090 12.175 10.031 1.00 0.00 N ATOM 0 H ASN A 29 4.954 13.306 8.133 1.00 0.00 H new ATOM 0 HA ASN A 29 5.020 10.509 8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.199 11.815 6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.835 10.484 7.795 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.757 12.829 10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.592 11.332 10.310 1.00 0.00 H new ATOM 479 N MET A 30 5.873 11.372 5.719 1.00 0.00 N ATOM 480 CA MET A 30 6.468 10.822 4.469 1.00 0.00 C ATOM 481 C MET A 30 7.664 9.939 4.828 1.00 0.00 C ATOM 482 O MET A 30 8.141 9.166 4.023 1.00 0.00 O ATOM 483 CB MET A 30 6.935 11.975 3.577 1.00 0.00 C ATOM 484 CG MET A 30 7.453 11.417 2.249 1.00 0.00 C ATOM 485 SD MET A 30 7.877 12.787 1.144 1.00 0.00 S ATOM 486 CE MET A 30 9.459 13.217 1.909 1.00 0.00 C ATOM 0 H MET A 30 5.810 12.389 5.760 1.00 0.00 H new ATOM 0 HA MET A 30 5.723 10.231 3.937 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.111 12.666 3.397 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.721 12.540 4.077 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.328 10.791 2.422 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.695 10.785 1.787 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.359 14.159 2.447 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.752 12.431 2.605 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.221 13.320 1.136 1.00 0.00 H new ATOM 496 N ASN A 31 8.149 10.051 6.033 1.00 0.00 N ATOM 497 CA ASN A 31 9.313 9.220 6.449 1.00 0.00 C ATOM 498 C ASN A 31 8.818 8.010 7.242 1.00 0.00 C ATOM 499 O ASN A 31 9.405 6.948 7.201 1.00 0.00 O ATOM 500 CB ASN A 31 10.250 10.055 7.322 1.00 0.00 C ATOM 501 CG ASN A 31 10.996 11.065 6.450 1.00 0.00 C ATOM 502 OD1 ASN A 31 12.051 11.541 6.820 1.00 0.00 O ATOM 503 ND2 ASN A 31 10.490 11.416 5.299 1.00 0.00 N ATOM 0 H ASN A 31 7.789 10.683 6.748 1.00 0.00 H new ATOM 0 HA ASN A 31 9.850 8.879 5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.680 10.575 8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.961 9.407 7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.980 12.090 4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.604 11.017 4.988 1.00 0.00 H new ATOM 510 N LYS A 32 7.742 8.161 7.965 1.00 0.00 N ATOM 511 CA LYS A 32 7.213 7.017 8.759 1.00 0.00 C ATOM 512 C LYS A 32 6.293 6.169 7.879 1.00 0.00 C ATOM 513 O LYS A 32 6.166 4.975 8.066 1.00 0.00 O ATOM 514 CB LYS A 32 6.426 7.543 9.962 1.00 0.00 C ATOM 515 CG LYS A 32 7.121 8.782 10.528 1.00 0.00 C ATOM 516 CD LYS A 32 6.515 9.133 11.889 1.00 0.00 C ATOM 517 CE LYS A 32 7.304 10.279 12.522 1.00 0.00 C ATOM 518 NZ LYS A 32 7.364 10.085 13.998 1.00 0.00 N ATOM 0 H LYS A 32 7.207 9.026 8.040 1.00 0.00 H new ATOM 0 HA LYS A 32 8.045 6.407 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.407 7.790 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.355 6.771 10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.190 8.596 10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.008 9.621 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.470 9.420 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.534 8.261 12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.312 10.313 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.831 11.233 12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.901 10.865 14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.399 10.073 14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.834 9.182 14.211 1.00 0.00 H new ATOM 532 N VAL A 33 5.650 6.774 6.918 1.00 0.00 N ATOM 533 CA VAL A 33 4.741 5.999 6.029 1.00 0.00 C ATOM 534 C VAL A 33 5.570 5.253 4.981 1.00 0.00 C ATOM 535 O VAL A 33 5.259 4.138 4.608 1.00 0.00 O ATOM 536 CB VAL A 33 3.774 6.954 5.327 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.146 7.894 6.359 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.537 7.779 4.287 1.00 0.00 C ATOM 0 H VAL A 33 5.715 7.771 6.711 1.00 0.00 H new ATOM 0 HA VAL A 33 4.175 5.283 6.624 1.00 0.00 H new ATOM 0 HB VAL A 33 2.991 6.379 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.457 8.575 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.603 7.309 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.930 8.469 6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.849 8.460 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.320 8.354 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.986 7.112 3.552 1.00 0.00 H new ATOM 548 N ASP A 34 6.624 5.856 4.503 1.00 0.00 N ATOM 549 CA ASP A 34 7.471 5.181 3.480 1.00 0.00 C ATOM 550 C ASP A 34 7.961 3.839 4.028 1.00 0.00 C ATOM 551 O ASP A 34 8.096 2.873 3.303 1.00 0.00 O ATOM 552 CB ASP A 34 8.673 6.067 3.149 1.00 0.00 C ATOM 553 CG ASP A 34 9.525 5.392 2.074 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.366 4.197 1.885 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.322 6.080 1.458 1.00 0.00 O ATOM 0 H ASP A 34 6.935 6.788 4.777 1.00 0.00 H new ATOM 0 HA ASP A 34 6.885 5.012 2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.334 7.042 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.269 6.239 4.045 1.00 0.00 H new ATOM 560 N HIS A 35 8.229 3.769 5.303 1.00 0.00 N ATOM 561 CA HIS A 35 8.708 2.487 5.894 1.00 0.00 C ATOM 562 C HIS A 35 7.527 1.528 6.054 1.00 0.00 C ATOM 563 O HIS A 35 7.677 0.325 5.968 1.00 0.00 O ATOM 564 CB HIS A 35 9.334 2.760 7.263 1.00 0.00 C ATOM 565 CG HIS A 35 9.947 1.495 7.799 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.227 0.404 6.985 1.00 0.00 N ATOM 567 CD2 HIS A 35 10.343 1.131 9.063 1.00 0.00 C ATOM 568 CE1 HIS A 35 10.769 -0.553 7.763 1.00 0.00 C ATOM 569 NE2 HIS A 35 10.860 -0.159 9.034 1.00 0.00 N ATOM 0 H HIS A 35 8.137 4.543 5.961 1.00 0.00 H new ATOM 0 HA HIS A 35 9.453 2.039 5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.094 3.537 7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.576 3.130 7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.265 1.751 9.944 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.090 -1.519 7.402 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.231 -0.693 9.820 1.00 0.00 H new ATOM 578 N HIS A 36 6.353 2.050 6.284 1.00 0.00 N ATOM 579 CA HIS A 36 5.165 1.166 6.448 1.00 0.00 C ATOM 580 C HIS A 36 4.919 0.396 5.148 1.00 0.00 C ATOM 581 O HIS A 36 4.781 -0.811 5.148 1.00 0.00 O ATOM 582 CB HIS A 36 3.935 2.015 6.781 1.00 0.00 C ATOM 583 CG HIS A 36 3.612 1.890 8.247 1.00 0.00 C ATOM 584 ND1 HIS A 36 4.467 1.265 9.146 1.00 0.00 N ATOM 585 CD2 HIS A 36 2.531 2.306 8.986 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.892 1.324 10.362 1.00 0.00 C ATOM 587 NE2 HIS A 36 2.713 1.947 10.317 1.00 0.00 N ATOM 0 H HIS A 36 6.166 3.049 6.365 1.00 0.00 H new ATOM 0 HA HIS A 36 5.347 0.461 7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.122 3.059 6.528 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.084 1.690 6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.672 2.831 8.594 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.330 0.918 11.262 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.078 2.123 11.096 1.00 0.00 H new ATOM 596 N LEU A 37 4.862 1.082 4.038 1.00 0.00 N ATOM 597 CA LEU A 37 4.624 0.381 2.745 1.00 0.00 C ATOM 598 C LEU A 37 5.858 -0.446 2.380 1.00 0.00 C ATOM 599 O LEU A 37 5.760 -1.618 2.075 1.00 0.00 O ATOM 600 CB LEU A 37 4.349 1.407 1.645 1.00 0.00 C ATOM 601 CG LEU A 37 2.857 1.737 1.621 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.670 3.228 1.354 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.172 0.936 0.513 1.00 0.00 C ATOM 0 H LEU A 37 4.970 2.094 3.971 1.00 0.00 H new ATOM 0 HA LEU A 37 3.761 -0.278 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.930 2.312 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.661 1.013 0.678 1.00 0.00 H new ATOM 0 HG LEU A 37 2.415 1.479 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.606 3.464 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.156 3.803 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.114 3.484 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.108 1.173 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.615 1.193 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.304 -0.130 0.700 1.00 0.00 H new ATOM 615 N GLN A 38 7.020 0.149 2.414 1.00 0.00 N ATOM 616 CA GLN A 38 8.252 -0.617 2.074 1.00 0.00 C ATOM 617 C GLN A 38 8.117 -2.038 2.621 1.00 0.00 C ATOM 618 O GLN A 38 8.122 -3.001 1.881 1.00 0.00 O ATOM 619 CB GLN A 38 9.470 0.061 2.705 1.00 0.00 C ATOM 620 CG GLN A 38 10.181 0.916 1.655 1.00 0.00 C ATOM 621 CD GLN A 38 11.450 1.515 2.265 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.363 0.797 2.621 1.00 0.00 O ATOM 623 NE2 GLN A 38 11.547 2.809 2.401 1.00 0.00 N ATOM 0 H GLN A 38 7.169 1.127 2.661 1.00 0.00 H new ATOM 0 HA GLN A 38 8.381 -0.647 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.159 0.682 3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.153 -0.691 3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.433 0.309 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.520 1.711 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.781 3.412 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.389 3.218 2.806 1.00 0.00 H new ATOM 632 N ASN A 39 7.984 -2.177 3.914 1.00 0.00 N ATOM 633 CA ASN A 39 7.835 -3.537 4.498 1.00 0.00 C ATOM 634 C ASN A 39 6.699 -4.260 3.776 1.00 0.00 C ATOM 635 O ASN A 39 6.728 -5.460 3.594 1.00 0.00 O ATOM 636 CB ASN A 39 7.506 -3.429 5.989 1.00 0.00 C ATOM 637 CG ASN A 39 7.724 -4.789 6.654 1.00 0.00 C ATOM 638 OD1 ASN A 39 8.454 -5.617 6.144 1.00 0.00 O ATOM 639 ND2 ASN A 39 7.119 -5.058 7.778 1.00 0.00 N ATOM 0 H ASN A 39 7.972 -1.410 4.586 1.00 0.00 H new ATOM 0 HA ASN A 39 8.766 -4.092 4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.138 -2.676 6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.473 -3.107 6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.258 -5.962 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.507 -4.364 8.206 1.00 0.00 H new ATOM 646 N VAL A 40 5.700 -3.533 3.355 1.00 0.00 N ATOM 647 CA VAL A 40 4.567 -4.172 2.635 1.00 0.00 C ATOM 648 C VAL A 40 4.984 -4.437 1.187 1.00 0.00 C ATOM 649 O VAL A 40 5.158 -5.568 0.779 1.00 0.00 O ATOM 650 CB VAL A 40 3.351 -3.243 2.659 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.143 -3.969 2.062 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.041 -2.849 4.104 1.00 0.00 C ATOM 0 H VAL A 40 5.621 -2.524 3.480 1.00 0.00 H new ATOM 0 HA VAL A 40 4.306 -5.112 3.121 1.00 0.00 H new ATOM 0 HB VAL A 40 3.565 -2.349 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.276 -3.308 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.362 -4.254 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.929 -4.863 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.175 -2.187 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.826 -3.744 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.901 -2.334 4.533 1.00 0.00 H new ATOM 662 N ILE A 41 5.151 -3.402 0.406 1.00 0.00 N ATOM 663 CA ILE A 41 5.564 -3.607 -1.011 1.00 0.00 C ATOM 664 C ILE A 41 6.555 -4.770 -1.080 1.00 0.00 C ATOM 665 O ILE A 41 6.668 -5.443 -2.086 1.00 0.00 O ATOM 666 CB ILE A 41 6.237 -2.340 -1.545 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.475 -1.103 -1.044 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.231 -2.376 -3.075 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.464 -0.020 -2.127 1.00 0.00 C ATOM 0 H ILE A 41 5.020 -2.430 0.687 1.00 0.00 H new ATOM 0 HA ILE A 41 4.685 -3.829 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 41 7.266 -2.289 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.453 -1.377 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.944 -0.719 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.709 -1.476 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.777 -3.254 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.203 -2.424 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.922 0.853 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.488 0.264 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.974 -0.405 -3.021 1.00 0.00 H new ATOM 681 N GLU A 42 7.271 -5.014 -0.016 1.00 0.00 N ATOM 682 CA GLU A 42 8.252 -6.135 -0.018 1.00 0.00 C ATOM 683 C GLU A 42 7.530 -7.435 0.328 1.00 0.00 C ATOM 684 O GLU A 42 7.836 -8.487 -0.197 1.00 0.00 O ATOM 685 CB GLU A 42 9.342 -5.867 1.020 1.00 0.00 C ATOM 686 CG GLU A 42 10.704 -6.252 0.441 1.00 0.00 C ATOM 687 CD GLU A 42 11.099 -5.249 -0.645 1.00 0.00 C ATOM 688 OE1 GLU A 42 10.580 -4.145 -0.619 1.00 0.00 O ATOM 689 OE2 GLU A 42 11.912 -5.602 -1.483 1.00 0.00 O ATOM 0 H GLU A 42 7.218 -4.485 0.854 1.00 0.00 H new ATOM 0 HA GLU A 42 8.707 -6.218 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.339 -4.814 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.145 -6.440 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.456 -6.265 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.662 -7.258 0.024 1.00 0.00 H new ATOM 696 N ASP A 43 6.568 -7.370 1.206 1.00 0.00 N ATOM 697 CA ASP A 43 5.821 -8.601 1.581 1.00 0.00 C ATOM 698 C ASP A 43 5.039 -9.097 0.366 1.00 0.00 C ATOM 699 O ASP A 43 4.679 -10.253 0.274 1.00 0.00 O ATOM 700 CB ASP A 43 4.852 -8.281 2.719 1.00 0.00 C ATOM 701 CG ASP A 43 4.641 -9.530 3.576 1.00 0.00 C ATOM 702 OD1 ASP A 43 5.052 -10.595 3.148 1.00 0.00 O ATOM 703 OD2 ASP A 43 4.074 -9.399 4.649 1.00 0.00 O ATOM 0 H ASP A 43 6.268 -6.518 1.679 1.00 0.00 H new ATOM 0 HA ASP A 43 6.518 -9.372 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.248 -7.470 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.899 -7.939 2.314 1.00 0.00 H new ATOM 708 N ILE A 44 4.779 -8.228 -0.571 1.00 0.00 N ATOM 709 CA ILE A 44 4.028 -8.644 -1.787 1.00 0.00 C ATOM 710 C ILE A 44 4.990 -9.337 -2.749 1.00 0.00 C ATOM 711 O ILE A 44 4.721 -10.416 -3.240 1.00 0.00 O ATOM 712 CB ILE A 44 3.418 -7.409 -2.450 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.760 -6.538 -1.380 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.364 -7.843 -3.471 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.357 -5.195 -1.986 1.00 0.00 C ATOM 0 H ILE A 44 5.055 -7.246 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 44 3.228 -9.333 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 44 4.200 -6.843 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.883 -7.043 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.449 -6.381 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.930 -6.962 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.830 -8.469 -4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.580 -8.408 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.888 -4.576 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.243 -4.689 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.652 -5.360 -2.801 1.00 0.00 H new ATOM 727 N HIS A 45 6.120 -8.739 -3.011 1.00 0.00 N ATOM 728 CA HIS A 45 7.100 -9.384 -3.925 1.00 0.00 C ATOM 729 C HIS A 45 7.404 -10.784 -3.390 1.00 0.00 C ATOM 730 O HIS A 45 7.763 -11.681 -4.127 1.00 0.00 O ATOM 731 CB HIS A 45 8.388 -8.558 -3.964 1.00 0.00 C ATOM 732 CG HIS A 45 8.773 -8.294 -5.395 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.624 -9.251 -6.390 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.299 -7.187 -6.015 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.051 -8.705 -7.544 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.473 -7.452 -7.369 1.00 0.00 N ATOM 0 H HIS A 45 6.405 -7.836 -2.633 1.00 0.00 H new ATOM 0 HA HIS A 45 6.691 -9.446 -4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.244 -7.616 -3.435 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.190 -9.091 -3.453 1.00 0.00 H new ATOM 0 HD1 HIS A 45 8.258 -10.195 -6.269 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.540 -6.255 -5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.052 -9.218 -8.494 1.00 0.00 H new ATOM 745 N ASP A 46 7.253 -10.972 -2.108 1.00 0.00 N ATOM 746 CA ASP A 46 7.521 -12.308 -1.508 1.00 0.00 C ATOM 747 C ASP A 46 6.260 -13.171 -1.618 1.00 0.00 C ATOM 748 O ASP A 46 6.262 -14.336 -1.272 1.00 0.00 O ATOM 749 CB ASP A 46 7.893 -12.140 -0.032 1.00 0.00 C ATOM 750 CG ASP A 46 9.416 -12.093 0.109 1.00 0.00 C ATOM 751 OD1 ASP A 46 10.072 -12.937 -0.477 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.899 -11.212 0.802 1.00 0.00 O ATOM 0 H ASP A 46 6.954 -10.254 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 46 8.344 -12.788 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.452 -11.225 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.488 -12.967 0.552 1.00 0.00 H new ATOM 757 N PHE A 47 5.183 -12.607 -2.095 1.00 0.00 N ATOM 758 CA PHE A 47 3.922 -13.391 -2.224 1.00 0.00 C ATOM 759 C PHE A 47 3.981 -14.233 -3.500 1.00 0.00 C ATOM 760 O PHE A 47 3.336 -15.256 -3.610 1.00 0.00 O ATOM 761 CB PHE A 47 2.733 -12.425 -2.285 1.00 0.00 C ATOM 762 CG PHE A 47 1.442 -13.203 -2.408 1.00 0.00 C ATOM 763 CD1 PHE A 47 1.112 -13.831 -3.616 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.572 -13.293 -1.314 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.086 -14.548 -3.729 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.625 -14.010 -1.428 1.00 0.00 C ATOM 767 CZ PHE A 47 -0.954 -14.638 -2.634 1.00 0.00 C ATOM 0 H PHE A 47 5.123 -11.636 -2.401 1.00 0.00 H new ATOM 0 HA PHE A 47 3.803 -14.052 -1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.710 -11.806 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.844 -11.751 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.782 -13.762 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.825 -12.809 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.340 -15.031 -4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.295 -14.078 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.877 -15.192 -2.720 1.00 0.00 H new ATOM 777 N MET A 48 4.758 -13.813 -4.462 1.00 0.00 N ATOM 778 CA MET A 48 4.864 -14.598 -5.727 1.00 0.00 C ATOM 779 C MET A 48 5.712 -15.846 -5.484 1.00 0.00 C ATOM 780 O MET A 48 5.420 -16.913 -5.987 1.00 0.00 O ATOM 781 CB MET A 48 5.516 -13.742 -6.816 1.00 0.00 C ATOM 782 CG MET A 48 6.657 -12.922 -6.212 1.00 0.00 C ATOM 783 SD MET A 48 7.738 -12.332 -7.540 1.00 0.00 S ATOM 784 CE MET A 48 8.887 -13.731 -7.533 1.00 0.00 C ATOM 0 H MET A 48 5.322 -12.964 -4.428 1.00 0.00 H new ATOM 0 HA MET A 48 3.866 -14.893 -6.051 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.896 -14.379 -7.614 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.775 -13.079 -7.263 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.256 -12.077 -5.651 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.225 -13.531 -5.508 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.654 -13.575 -8.291 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.357 -13.811 -6.553 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.343 -14.650 -7.751 1.00 0.00 H new ATOM 794 N GLN A 49 6.758 -15.727 -4.713 1.00 0.00 N ATOM 795 CA GLN A 49 7.613 -16.914 -4.440 1.00 0.00 C ATOM 796 C GLN A 49 6.930 -17.788 -3.389 1.00 0.00 C ATOM 797 O GLN A 49 6.947 -19.000 -3.469 1.00 0.00 O ATOM 798 CB GLN A 49 8.975 -16.456 -3.922 1.00 0.00 C ATOM 799 CG GLN A 49 8.778 -15.480 -2.762 1.00 0.00 C ATOM 800 CD GLN A 49 8.948 -16.224 -1.437 1.00 0.00 C ATOM 801 OE1 GLN A 49 10.052 -16.543 -1.044 1.00 0.00 O ATOM 802 NE2 GLN A 49 7.893 -16.515 -0.728 1.00 0.00 N ATOM 0 H GLN A 49 7.056 -14.862 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 49 7.754 -17.486 -5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.558 -17.316 -3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.538 -15.977 -4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.500 -14.667 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.786 -15.031 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.966 -16.247 -1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.995 -17.011 0.158 1.00 0.00 H new ATOM 811 N GLY A 50 6.318 -17.184 -2.407 1.00 0.00 N ATOM 812 CA GLY A 50 5.626 -17.987 -1.361 1.00 0.00 C ATOM 813 C GLY A 50 4.651 -18.947 -2.040 1.00 0.00 C ATOM 814 O GLY A 50 3.999 -19.746 -1.398 1.00 0.00 O ATOM 0 H GLY A 50 6.268 -16.173 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.353 -18.544 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.092 -17.331 -0.674 1.00 0.00 H new ATOM 818 N GLY A 51 4.550 -18.874 -3.340 1.00 0.00 N ATOM 819 CA GLY A 51 3.621 -19.782 -4.071 1.00 0.00 C ATOM 820 C GLY A 51 2.176 -19.465 -3.682 1.00 0.00 C ATOM 821 O GLY A 51 1.254 -19.710 -4.435 1.00 0.00 O ATOM 0 H GLY A 51 5.072 -18.224 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.752 -19.663 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.852 -20.821 -3.835 1.00 0.00 H new ATOM 825 N GLY A 52 1.966 -18.926 -2.512 1.00 0.00 N ATOM 826 CA GLY A 52 0.579 -18.599 -2.082 1.00 0.00 C ATOM 827 C GLY A 52 0.538 -18.556 -0.558 1.00 0.00 C ATOM 828 O GLY A 52 -0.339 -19.114 0.070 1.00 0.00 O ATOM 0 H GLY A 52 2.695 -18.698 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.271 -17.639 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.120 -19.346 -2.458 1.00 0.00 H new ATOM 832 N SER A 53 1.495 -17.905 0.039 1.00 0.00 N ATOM 833 CA SER A 53 1.536 -17.828 1.521 1.00 0.00 C ATOM 834 C SER A 53 0.570 -16.751 2.011 1.00 0.00 C ATOM 835 O SER A 53 0.975 -15.733 2.535 1.00 0.00 O ATOM 836 CB SER A 53 2.957 -17.482 1.959 1.00 0.00 C ATOM 837 OG SER A 53 3.868 -18.386 1.348 1.00 0.00 O ATOM 0 H SER A 53 2.254 -17.421 -0.440 1.00 0.00 H new ATOM 0 HA SER A 53 1.241 -18.787 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.198 -16.457 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.040 -17.541 3.044 1.00 0.00 H new ATOM 0 HG SER A 53 4.782 -18.167 1.625 1.00 0.00 H new ATOM 843 N GLY A 54 -0.707 -16.968 1.853 1.00 0.00 N ATOM 844 CA GLY A 54 -1.693 -15.955 2.321 1.00 0.00 C ATOM 845 C GLY A 54 -1.383 -15.588 3.771 1.00 0.00 C ATOM 846 O GLY A 54 -1.930 -14.649 4.316 1.00 0.00 O ATOM 0 H GLY A 54 -1.109 -17.800 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.648 -15.067 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.705 -16.351 2.242 1.00 0.00 H new ATOM 850 N GLY A 55 -0.499 -16.316 4.397 1.00 0.00 N ATOM 851 CA GLY A 55 -0.141 -16.009 5.809 1.00 0.00 C ATOM 852 C GLY A 55 0.873 -14.869 5.821 1.00 0.00 C ATOM 853 O GLY A 55 0.958 -14.108 6.764 1.00 0.00 O ATOM 0 H GLY A 55 -0.009 -17.112 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.031 -15.728 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.277 -16.892 6.293 1.00 0.00 H new ATOM 857 N LYS A 56 1.639 -14.740 4.772 1.00 0.00 N ATOM 858 CA LYS A 56 2.640 -13.643 4.721 1.00 0.00 C ATOM 859 C LYS A 56 1.931 -12.337 4.369 1.00 0.00 C ATOM 860 O LYS A 56 2.474 -11.262 4.525 1.00 0.00 O ATOM 861 CB LYS A 56 3.696 -13.956 3.658 1.00 0.00 C ATOM 862 CG LYS A 56 5.028 -14.280 4.338 1.00 0.00 C ATOM 863 CD LYS A 56 6.132 -14.355 3.282 1.00 0.00 C ATOM 864 CE LYS A 56 6.470 -15.819 2.994 1.00 0.00 C ATOM 865 NZ LYS A 56 7.025 -16.456 4.220 1.00 0.00 N ATOM 0 H LYS A 56 1.613 -15.346 3.952 1.00 0.00 H new ATOM 0 HA LYS A 56 3.128 -13.548 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.373 -14.799 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.816 -13.105 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.267 -13.515 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.955 -15.227 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.808 -13.860 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.020 -13.829 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.576 -16.351 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.193 -15.882 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.742 -17.159 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.461 -15.729 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.259 -16.925 4.744 1.00 0.00 H new ATOM 879 N LEU A 57 0.717 -12.422 3.901 1.00 0.00 N ATOM 880 CA LEU A 57 -0.024 -11.183 3.547 1.00 0.00 C ATOM 881 C LEU A 57 -0.719 -10.644 4.789 1.00 0.00 C ATOM 882 O LEU A 57 -0.495 -9.523 5.202 1.00 0.00 O ATOM 883 CB LEU A 57 -1.075 -11.492 2.478 1.00 0.00 C ATOM 884 CG LEU A 57 -1.848 -10.209 2.145 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.268 -10.222 0.675 1.00 0.00 C ATOM 886 CD2 LEU A 57 -3.103 -10.107 3.022 1.00 0.00 C ATOM 0 H LEU A 57 0.209 -13.293 3.749 1.00 0.00 H new ATOM 0 HA LEU A 57 0.677 -10.443 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.595 -11.885 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.760 -12.261 2.836 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.200 -9.353 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.816 -9.308 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.381 -10.282 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.906 -11.085 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.644 -9.193 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.745 -10.969 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.812 -10.087 4.072 1.00 0.00 H new ATOM 898 N GLN A 58 -1.564 -11.430 5.392 1.00 0.00 N ATOM 899 CA GLN A 58 -2.269 -10.949 6.606 1.00 0.00 C ATOM 900 C GLN A 58 -1.251 -10.271 7.521 1.00 0.00 C ATOM 901 O GLN A 58 -1.600 -9.560 8.443 1.00 0.00 O ATOM 902 CB GLN A 58 -2.922 -12.129 7.325 1.00 0.00 C ATOM 903 CG GLN A 58 -4.426 -12.127 7.036 1.00 0.00 C ATOM 904 CD GLN A 58 -4.660 -11.966 5.531 1.00 0.00 C ATOM 905 OE1 GLN A 58 -4.717 -12.939 4.806 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.803 -10.768 5.027 1.00 0.00 N ATOM 0 H GLN A 58 -1.795 -12.379 5.098 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.048 -10.238 6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.477 -13.066 6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.746 -12.058 8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.875 -13.056 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.910 -11.315 7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.755 -9.950 5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.962 -10.651 4.026 1.00 0.00 H new ATOM 915 N GLU A 59 0.012 -10.473 7.258 1.00 0.00 N ATOM 916 CA GLU A 59 1.062 -9.827 8.092 1.00 0.00 C ATOM 917 C GLU A 59 1.145 -8.352 7.704 1.00 0.00 C ATOM 918 O GLU A 59 0.971 -7.473 8.524 1.00 0.00 O ATOM 919 CB GLU A 59 2.411 -10.502 7.839 1.00 0.00 C ATOM 920 CG GLU A 59 2.792 -11.356 9.049 1.00 0.00 C ATOM 921 CD GLU A 59 3.292 -10.451 10.176 1.00 0.00 C ATOM 922 OE1 GLU A 59 3.761 -9.366 9.874 1.00 0.00 O ATOM 923 OE2 GLU A 59 3.198 -10.858 11.322 1.00 0.00 O ATOM 0 H GLU A 59 0.361 -11.059 6.500 1.00 0.00 H new ATOM 0 HA GLU A 59 0.813 -9.924 9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.356 -11.124 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.178 -9.749 7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.930 -11.932 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.566 -12.072 8.773 1.00 0.00 H new ATOM 930 N MET A 60 1.392 -8.072 6.450 1.00 0.00 N ATOM 931 CA MET A 60 1.464 -6.655 6.011 1.00 0.00 C ATOM 932 C MET A 60 0.072 -6.040 6.127 1.00 0.00 C ATOM 933 O MET A 60 -0.081 -4.843 6.242 1.00 0.00 O ATOM 934 CB MET A 60 1.938 -6.584 4.555 1.00 0.00 C ATOM 935 CG MET A 60 1.311 -7.721 3.746 1.00 0.00 C ATOM 936 SD MET A 60 1.444 -7.336 1.979 1.00 0.00 S ATOM 937 CE MET A 60 1.740 -9.014 1.362 1.00 0.00 C ATOM 0 H MET A 60 1.546 -8.764 5.717 1.00 0.00 H new ATOM 0 HA MET A 60 2.169 -6.108 6.637 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.663 -5.623 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.025 -6.653 4.514 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.817 -8.661 3.965 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.265 -7.849 4.025 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.274 -8.964 0.413 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.338 -9.568 2.086 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.786 -9.521 1.216 1.00 0.00 H new ATOM 947 N MET A 61 -0.947 -6.857 6.106 1.00 0.00 N ATOM 948 CA MET A 61 -2.332 -6.323 6.224 1.00 0.00 C ATOM 949 C MET A 61 -2.363 -5.258 7.320 1.00 0.00 C ATOM 950 O MET A 61 -2.971 -4.217 7.170 1.00 0.00 O ATOM 951 CB MET A 61 -3.288 -7.464 6.581 1.00 0.00 C ATOM 952 CG MET A 61 -4.537 -6.906 7.268 1.00 0.00 C ATOM 953 SD MET A 61 -4.325 -6.985 9.063 1.00 0.00 S ATOM 954 CE MET A 61 -5.767 -5.985 9.504 1.00 0.00 C ATOM 0 H MET A 61 -0.879 -7.870 6.012 1.00 0.00 H new ATOM 0 HA MET A 61 -2.642 -5.880 5.277 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.571 -8.008 5.680 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.789 -8.175 7.239 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.707 -5.875 6.956 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.415 -7.478 6.969 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.926 -6.032 10.581 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.597 -4.950 9.207 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.648 -6.370 8.990 1.00 0.00 H new ATOM 964 N LYS A 62 -1.710 -5.509 8.418 1.00 0.00 N ATOM 965 CA LYS A 62 -1.699 -4.506 9.518 1.00 0.00 C ATOM 966 C LYS A 62 -1.042 -3.220 9.017 1.00 0.00 C ATOM 967 O LYS A 62 -1.603 -2.148 9.112 1.00 0.00 O ATOM 968 CB LYS A 62 -0.908 -5.058 10.706 1.00 0.00 C ATOM 969 CG LYS A 62 -1.578 -6.334 11.215 1.00 0.00 C ATOM 970 CD LYS A 62 -1.069 -6.649 12.623 1.00 0.00 C ATOM 971 CE LYS A 62 0.381 -7.127 12.547 1.00 0.00 C ATOM 972 NZ LYS A 62 1.297 -5.966 12.730 1.00 0.00 N ATOM 0 H LYS A 62 -1.184 -6.363 8.602 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.721 -4.296 9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.119 -5.268 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.862 -4.316 11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.661 -6.209 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.361 -7.165 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.138 -5.762 13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.692 -7.416 13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.569 -7.877 13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.568 -7.603 11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.723 -5.713 11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.760 -5.155 13.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.048 -6.219 13.404 1.00 0.00 H new ATOM 986 N GLU A 63 0.144 -3.319 8.479 1.00 0.00 N ATOM 987 CA GLU A 63 0.828 -2.100 7.968 1.00 0.00 C ATOM 988 C GLU A 63 0.027 -1.536 6.793 1.00 0.00 C ATOM 989 O GLU A 63 -0.155 -0.342 6.666 1.00 0.00 O ATOM 990 CB GLU A 63 2.241 -2.460 7.499 1.00 0.00 C ATOM 991 CG GLU A 63 3.242 -1.463 8.087 1.00 0.00 C ATOM 992 CD GLU A 63 3.509 -1.814 9.551 1.00 0.00 C ATOM 993 OE1 GLU A 63 2.699 -2.519 10.128 1.00 0.00 O ATOM 994 OE2 GLU A 63 4.521 -1.372 10.070 1.00 0.00 O ATOM 0 H GLU A 63 0.666 -4.189 8.372 1.00 0.00 H new ATOM 0 HA GLU A 63 0.894 -1.356 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.493 -3.473 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.290 -2.442 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.173 -1.488 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.850 -0.449 8.011 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.460 -2.392 5.938 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.258 -1.921 4.772 1.00 0.00 C ATOM 1003 C PHE A 64 -2.432 -1.071 5.275 1.00 0.00 C ATOM 1004 O PHE A 64 -2.683 0.013 4.788 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.805 -3.135 4.015 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.454 -3.040 2.547 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.570 -1.818 1.871 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.017 -4.180 1.862 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.248 -1.740 0.510 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -0.697 -4.100 0.502 1.00 0.00 C ATOM 1011 CZ PHE A 64 -0.811 -2.880 -0.174 1.00 0.00 C ATOM 0 H PHE A 64 -0.339 -3.403 5.997 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.629 -1.326 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.391 -4.051 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.887 -3.189 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.907 -0.938 2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.927 -5.122 2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.337 -0.799 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.362 -4.980 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.562 -2.818 -1.223 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.159 -1.570 6.241 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.329 -0.814 6.779 1.00 0.00 C ATOM 1023 C GLN A 65 -3.848 0.332 7.677 1.00 0.00 C ATOM 1024 O GLN A 65 -4.617 1.187 8.067 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.209 -1.766 7.607 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.660 -1.766 7.100 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.184 -3.201 7.098 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.325 -3.447 7.438 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -6.390 -4.166 6.727 1.00 0.00 N ATOM 0 H GLN A 65 -2.991 -2.474 6.683 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.901 -0.403 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.804 -2.776 7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.187 -1.466 8.655 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.282 -1.139 7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.708 -1.346 6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.433 -3.958 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.726 -5.129 6.722 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.588 0.357 8.011 1.00 0.00 N ATOM 1039 CA GLN A 66 -2.079 1.451 8.887 1.00 0.00 C ATOM 1040 C GLN A 66 -1.711 2.659 8.030 1.00 0.00 C ATOM 1041 O GLN A 66 -1.725 3.785 8.486 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.838 0.971 9.643 1.00 0.00 C ATOM 1043 CG GLN A 66 -1.237 -0.100 10.660 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.246 0.506 12.064 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -0.260 1.060 12.506 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -2.328 0.424 12.790 1.00 0.00 N ATOM 0 H GLN A 66 -1.891 -0.328 7.718 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.854 1.730 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.107 0.567 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.363 1.810 10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.223 -0.497 10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.538 -0.935 10.618 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.157 -0.041 12.420 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.345 0.825 13.728 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.379 2.434 6.790 1.00 0.00 N ATOM 1056 CA VAL A 67 -1.008 3.568 5.904 1.00 0.00 C ATOM 1057 C VAL A 67 -2.267 4.292 5.448 1.00 0.00 C ATOM 1058 O VAL A 67 -2.465 5.455 5.735 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.271 3.038 4.679 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.738 4.080 4.193 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.463 1.755 5.048 1.00 0.00 C ATOM 0 H VAL A 67 -1.349 1.513 6.353 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.365 4.256 6.453 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.989 2.834 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.263 3.698 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.214 4.999 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.457 4.287 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.991 1.374 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.179 1.961 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.255 1.011 5.391 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.121 3.616 4.731 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.360 4.280 4.253 1.00 0.00 C ATOM 1073 C LEU A 68 -4.976 5.083 5.399 1.00 0.00 C ATOM 1074 O LEU A 68 -5.612 6.097 5.187 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.364 3.237 3.748 1.00 0.00 C ATOM 1076 CG LEU A 68 -5.430 2.048 4.713 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -6.521 2.294 5.757 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -5.760 0.779 3.924 1.00 0.00 C ATOM 0 H LEU A 68 -3.014 2.639 4.458 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.112 4.949 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.351 3.690 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.072 2.893 2.756 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.469 1.932 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.566 1.448 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.292 3.201 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.483 2.409 5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.808 -0.071 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.722 0.900 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.985 0.602 3.178 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.789 4.645 6.614 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.362 5.390 7.769 1.00 0.00 C ATOM 1092 C ASP A 69 -4.432 6.549 8.133 1.00 0.00 C ATOM 1093 O ASP A 69 -4.847 7.529 8.719 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.504 4.451 8.970 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.385 5.113 10.031 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -6.753 6.259 9.836 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -6.676 4.461 11.022 1.00 0.00 O ATOM 0 H ASP A 69 -4.265 3.804 6.856 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.344 5.779 7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.943 3.504 8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.523 4.224 9.386 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.178 6.449 7.784 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.224 7.549 8.104 1.00 0.00 C ATOM 1104 C GLU A 70 -2.340 8.635 7.035 1.00 0.00 C ATOM 1105 O GLU A 70 -2.329 9.813 7.331 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.794 7.003 8.125 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.597 6.134 9.369 1.00 0.00 C ATOM 1108 CD GLU A 70 0.278 6.880 10.378 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.360 7.299 10.001 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.149 7.019 11.513 1.00 0.00 O ATOM 0 H GLU A 70 -2.773 5.653 7.291 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.461 7.966 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.604 6.417 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.079 7.826 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.562 5.895 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.129 5.188 9.095 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.456 8.249 5.796 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.578 9.262 4.712 1.00 0.00 C ATOM 1119 C ILE A 71 -3.982 9.871 4.754 1.00 0.00 C ATOM 1120 O ILE A 71 -4.148 11.073 4.678 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.344 8.596 3.355 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.806 7.177 3.563 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.325 9.411 2.555 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -1.130 6.694 2.279 1.00 0.00 C ATOM 0 H ILE A 71 -2.472 7.277 5.487 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.834 10.045 4.856 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.286 8.551 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.094 7.164 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.620 6.504 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.158 8.936 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.706 10.421 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.384 9.457 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.747 5.684 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.855 6.692 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.305 7.362 2.029 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.994 9.055 4.880 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.381 9.598 4.934 1.00 0.00 C ATOM 1138 C LYS A 72 -6.378 10.884 5.762 1.00 0.00 C ATOM 1139 O LYS A 72 -6.944 11.885 5.373 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.314 8.575 5.586 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.622 9.263 5.986 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.727 8.216 6.137 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.641 8.605 7.300 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.754 7.619 7.410 1.00 0.00 N ATOM 0 H LYS A 72 -4.920 8.040 4.948 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.732 9.806 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.517 7.758 4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.837 8.138 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.489 9.803 6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.904 9.998 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.304 8.145 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.290 7.234 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.072 8.633 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.042 9.606 7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.375 7.884 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.302 7.614 6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.362 6.671 7.580 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.738 10.866 6.898 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.692 12.092 7.741 1.00 0.00 C ATOM 1160 C GLN A 73 -5.041 13.217 6.939 1.00 0.00 C ATOM 1161 O GLN A 73 -5.489 14.347 6.955 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.866 11.817 9.000 1.00 0.00 C ATOM 1163 CG GLN A 73 -4.690 13.115 9.790 1.00 0.00 C ATOM 1164 CD GLN A 73 -4.817 12.821 11.286 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -5.896 12.542 11.773 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -3.754 12.871 12.041 1.00 0.00 N ATOM 0 H GLN A 73 -5.246 10.057 7.278 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.702 12.380 8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.363 11.068 9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.892 11.410 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.716 13.555 9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.442 13.843 9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.849 13.105 11.633 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.828 12.676 13.039 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.988 12.913 6.231 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.307 13.963 5.421 1.00 0.00 C ATOM 1177 C GLN A 74 -4.348 14.731 4.603 1.00 0.00 C ATOM 1178 O GLN A 74 -4.363 15.946 4.586 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.297 13.307 4.476 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.243 12.556 5.293 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.320 13.562 5.985 1.00 0.00 C ATOM 1182 OE1 GLN A 74 -0.053 13.448 7.164 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.184 14.549 5.295 1.00 0.00 N ATOM 0 H GLN A 74 -3.570 11.984 6.178 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.786 14.652 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.808 12.619 3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.819 14.065 3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.727 11.921 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.662 11.901 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.040 14.645 4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.802 15.224 5.746 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.220 14.034 3.925 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.257 14.732 3.111 1.00 0.00 C ATOM 1194 C LEU A 75 -6.741 15.972 3.867 1.00 0.00 C ATOM 1195 O LEU A 75 -7.270 16.898 3.285 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.440 13.790 2.868 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.121 12.842 1.708 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.858 13.652 0.438 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.879 12.014 2.052 1.00 0.00 C ATOM 0 H LEU A 75 -5.259 13.015 3.899 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.829 15.029 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.651 13.216 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.336 14.368 2.641 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.968 12.177 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.631 12.975 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.742 14.240 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.012 14.320 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.652 11.339 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.033 12.680 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.068 11.433 2.955 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.561 15.996 5.159 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.008 17.175 5.953 1.00 0.00 C ATOM 1213 C GLN A 76 -6.153 18.389 5.587 1.00 0.00 C ATOM 1214 O GLN A 76 -5.897 19.250 6.407 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.854 16.873 7.445 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.806 17.763 8.247 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.370 17.786 9.713 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -6.528 17.010 10.122 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -7.911 18.649 10.528 1.00 0.00 N ATOM 0 H GLN A 76 -6.123 15.250 5.699 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.054 17.387 5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.071 15.823 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.825 17.048 7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.805 18.774 7.840 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.826 17.388 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.617 19.300 10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.628 18.672 11.508 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.706 18.467 4.364 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.867 19.626 3.951 1.00 0.00 C ATOM 1230 C GLY A 77 -4.925 19.786 2.431 1.00 0.00 C ATOM 1231 O GLY A 77 -5.830 19.305 1.779 1.00 0.00 O ATOM 0 H GLY A 77 -5.886 17.778 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.221 20.535 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.836 19.474 4.272 1.00 0.00 H new ATOM 1235 N GLY A 78 -3.963 20.460 1.861 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.961 20.652 0.384 1.00 0.00 C ATOM 1237 C GLY A 78 -3.479 19.369 -0.295 1.00 0.00 C ATOM 1238 O GLY A 78 -2.642 19.397 -1.175 1.00 0.00 O ATOM 0 H GLY A 78 -3.179 20.886 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.963 20.905 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.311 21.485 0.115 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.998 18.242 0.110 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.567 16.958 -0.512 1.00 0.00 C ATOM 1244 C ASP A 79 -4.665 16.451 -1.450 1.00 0.00 C ATOM 1245 O ASP A 79 -4.837 15.263 -1.634 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.310 15.921 0.585 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.565 16.554 1.955 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.587 17.199 2.106 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.731 16.380 2.829 1.00 0.00 O ATOM 0 H ASP A 79 -4.701 18.155 0.844 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.651 17.118 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.961 15.058 0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.284 15.559 0.525 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.408 17.343 -2.048 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.493 16.909 -2.973 1.00 0.00 C ATOM 1256 C ASN A 80 -5.922 15.937 -4.007 1.00 0.00 C ATOM 1257 O ASN A 80 -6.647 15.334 -4.772 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.075 18.131 -3.685 1.00 0.00 C ATOM 1259 CG ASN A 80 -6.519 19.406 -3.047 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -6.905 19.769 -1.953 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -5.623 20.105 -3.688 1.00 0.00 N ATOM 0 H ASN A 80 -5.310 18.352 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.280 16.413 -2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.823 18.102 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.163 18.122 -3.616 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.246 20.956 -3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.299 19.800 -4.606 1.00 0.00 H new ATOM 1268 N SER A 81 -4.630 15.766 -4.024 1.00 0.00 N ATOM 1269 CA SER A 81 -4.021 14.819 -4.992 1.00 0.00 C ATOM 1270 C SER A 81 -4.104 13.422 -4.393 1.00 0.00 C ATOM 1271 O SER A 81 -4.490 12.472 -5.045 1.00 0.00 O ATOM 1272 CB SER A 81 -2.558 15.193 -5.237 1.00 0.00 C ATOM 1273 OG SER A 81 -2.346 15.359 -6.632 1.00 0.00 O ATOM 0 H SER A 81 -3.971 16.242 -3.408 1.00 0.00 H new ATOM 0 HA SER A 81 -4.550 14.857 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.312 16.113 -4.707 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.901 14.415 -4.847 1.00 0.00 H new ATOM 0 HG SER A 81 -1.478 14.978 -6.879 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.768 13.296 -3.138 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.853 11.968 -2.482 1.00 0.00 C ATOM 1281 C LEU A 82 -5.289 11.474 -2.593 1.00 0.00 C ATOM 1282 O LEU A 82 -5.546 10.307 -2.812 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.469 12.097 -1.014 1.00 0.00 C ATOM 1284 CG LEU A 82 -1.968 11.878 -0.874 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.224 12.842 -1.799 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.551 12.133 0.571 1.00 0.00 C ATOM 0 H LEU A 82 -3.439 14.056 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.173 11.265 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.742 13.083 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.014 11.366 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.722 10.852 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.150 12.686 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.523 12.659 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.468 13.869 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.477 11.977 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.796 13.159 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.082 11.445 1.230 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.230 12.368 -2.454 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.655 11.966 -2.567 1.00 0.00 C ATOM 1300 C HIS A 83 -7.794 11.044 -3.776 1.00 0.00 C ATOM 1301 O HIS A 83 -8.669 10.204 -3.838 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.523 13.211 -2.765 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.905 12.952 -2.230 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.297 11.704 -1.764 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.999 13.769 -2.079 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.576 11.806 -1.358 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -12.048 13.042 -1.530 1.00 0.00 N ATOM 0 H HIS A 83 -6.071 13.358 -2.267 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.978 11.452 -1.662 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.077 14.063 -2.252 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.574 13.467 -3.823 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -9.720 10.863 -1.735 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.038 14.815 -2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.149 10.989 -0.945 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.922 11.196 -4.735 1.00 0.00 N ATOM 1317 CA ASN A 84 -6.980 10.331 -5.943 1.00 0.00 C ATOM 1318 C ASN A 84 -6.018 9.153 -5.765 1.00 0.00 C ATOM 1319 O ASN A 84 -6.265 8.061 -6.237 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.570 11.145 -7.173 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.012 12.599 -6.993 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -7.925 12.879 -6.242 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -6.399 13.542 -7.655 1.00 0.00 N ATOM 0 H ASN A 84 -6.170 11.885 -4.732 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.995 9.957 -6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.490 11.096 -7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.025 10.724 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.686 14.514 -7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.632 13.307 -8.286 1.00 0.00 H new ATOM 1330 N VAL A 85 -4.923 9.365 -5.085 1.00 0.00 N ATOM 1331 CA VAL A 85 -3.953 8.262 -4.876 1.00 0.00 C ATOM 1332 C VAL A 85 -4.328 7.486 -3.614 1.00 0.00 C ATOM 1333 O VAL A 85 -4.408 6.274 -3.620 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.553 8.849 -4.712 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.512 7.807 -5.108 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.406 10.079 -5.611 1.00 0.00 C ATOM 0 H VAL A 85 -4.662 10.258 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.972 7.590 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.402 9.137 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.513 8.228 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.614 6.930 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.664 7.518 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.407 10.498 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.559 9.790 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.148 10.826 -5.329 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.563 8.177 -2.531 1.00 0.00 N ATOM 1347 CA HIS A 86 -4.937 7.476 -1.271 1.00 0.00 C ATOM 1348 C HIS A 86 -6.153 6.588 -1.542 1.00 0.00 C ATOM 1349 O HIS A 86 -6.306 5.531 -0.961 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.274 8.510 -0.189 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.335 7.963 0.730 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.563 8.591 0.897 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.371 6.848 1.532 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.278 7.856 1.769 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.597 6.787 2.184 1.00 0.00 N ATOM 0 H HIS A 86 -4.512 9.194 -2.465 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.106 6.862 -0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.379 8.757 0.381 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.622 9.433 -0.652 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.571 6.130 1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.279 8.101 2.092 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -7.910 6.074 2.842 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.019 7.008 -2.423 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.223 6.189 -2.734 1.00 0.00 C ATOM 1366 C GLU A 87 -7.788 4.898 -3.429 1.00 0.00 C ATOM 1367 O GLU A 87 -8.556 3.966 -3.566 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.156 6.979 -3.655 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.466 7.282 -2.923 1.00 0.00 C ATOM 1370 CD GLU A 87 -10.185 8.191 -1.726 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.832 7.670 -0.681 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -10.328 9.393 -1.875 1.00 0.00 O ATOM 0 H GLU A 87 -6.944 7.884 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.750 5.947 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.677 7.908 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.358 6.408 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.170 7.764 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.930 6.355 -2.587 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.559 4.831 -3.868 1.00 0.00 N ATOM 1380 CA ASN A 88 -6.079 3.596 -4.549 1.00 0.00 C ATOM 1381 C ASN A 88 -5.846 2.501 -3.507 1.00 0.00 C ATOM 1382 O ASN A 88 -6.529 1.498 -3.488 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.769 3.889 -5.285 1.00 0.00 C ATOM 1384 CG ASN A 88 -5.035 4.871 -6.429 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -6.147 5.328 -6.608 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -4.055 5.215 -7.220 1.00 0.00 N ATOM 0 H ASN A 88 -5.869 5.577 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.828 3.263 -5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.037 4.308 -4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.345 2.964 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.223 5.866 -7.987 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.121 4.832 -7.071 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.887 2.685 -2.641 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.610 1.653 -1.600 1.00 0.00 C ATOM 1395 C ILE A 89 -5.923 1.000 -1.162 1.00 0.00 C ATOM 1396 O ILE A 89 -6.068 -0.204 -1.196 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.929 2.317 -0.397 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.519 2.763 -0.811 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -3.837 1.321 0.767 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.515 2.470 0.310 1.00 0.00 C ATOM 0 H ILE A 89 -4.283 3.506 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.952 0.887 -2.009 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.511 3.180 -0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.219 2.244 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.520 3.829 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.352 1.800 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.839 1.002 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.254 0.453 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.520 2.792 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.808 3.010 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.502 1.400 0.516 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.882 1.782 -0.748 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.177 1.194 -0.303 1.00 0.00 C ATOM 1414 C LYS A 90 -8.591 0.078 -1.264 1.00 0.00 C ATOM 1415 O LYS A 90 -8.901 -1.022 -0.852 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.252 2.283 -0.290 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.548 1.715 0.294 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.744 2.299 -0.460 1.00 0.00 C ATOM 1419 CE LYS A 90 -11.861 3.793 -0.152 1.00 0.00 C ATOM 1420 NZ LYS A 90 -12.976 4.017 0.812 1.00 0.00 N ATOM 0 H LYS A 90 -6.825 2.799 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.063 0.783 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.916 3.134 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.426 2.649 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.550 0.628 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.619 1.957 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.621 2.146 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.659 1.784 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.925 4.163 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.043 4.351 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.055 5.033 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.867 3.678 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.784 3.496 1.692 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.596 0.347 -2.541 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.985 -0.705 -3.521 1.00 0.00 C ATOM 1436 C GLU A 91 -7.766 -1.573 -3.841 1.00 0.00 C ATOM 1437 O GLU A 91 -7.860 -2.777 -3.970 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.491 -0.043 -4.805 1.00 0.00 C ATOM 1439 CG GLU A 91 -9.912 -1.121 -5.805 1.00 0.00 C ATOM 1440 CD GLU A 91 -9.411 -0.748 -7.202 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -8.345 -0.159 -7.291 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -10.100 -1.060 -8.158 1.00 0.00 O ATOM 0 H GLU A 91 -8.348 1.249 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.775 -1.326 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.335 0.610 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.709 0.582 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.504 -2.087 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.997 -1.222 -5.812 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.620 -0.964 -3.969 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.383 -1.736 -4.279 1.00 0.00 C ATOM 1451 C ILE A 92 -5.063 -2.679 -3.115 1.00 0.00 C ATOM 1452 O ILE A 92 -4.940 -3.873 -3.283 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.223 -0.749 -4.484 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.973 -0.558 -5.984 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.949 -1.279 -3.817 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.072 -1.678 -6.504 1.00 0.00 C ATOM 0 H ILE A 92 -6.486 0.042 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.528 -2.326 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.488 0.206 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.920 -0.560 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.506 0.410 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.136 -0.570 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.123 -1.406 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.680 -2.239 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.897 -1.538 -7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.120 -1.655 -5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.556 -2.641 -6.339 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.910 -2.148 -1.939 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.580 -3.006 -0.769 1.00 0.00 C ATOM 1470 C PHE A 93 -5.612 -4.128 -0.632 1.00 0.00 C ATOM 1471 O PHE A 93 -5.268 -5.280 -0.462 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.579 -2.145 0.493 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.660 -3.015 1.720 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.009 -4.255 1.756 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.387 -2.575 2.830 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.089 -5.051 2.902 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.467 -3.370 3.974 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.819 -4.610 4.012 1.00 0.00 C ATOM 0 H PHE A 93 -4.999 -1.153 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.596 -3.453 -0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.673 -1.539 0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.423 -1.455 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.446 -4.595 0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.887 -1.618 2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.587 -6.007 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.029 -3.028 4.830 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.882 -5.226 4.897 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.874 -3.805 -0.700 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.916 -4.863 -0.569 1.00 0.00 C ATOM 1490 C HIS A 94 -7.870 -5.786 -1.788 1.00 0.00 C ATOM 1491 O HIS A 94 -8.520 -6.810 -1.825 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.297 -4.215 -0.477 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.292 -5.230 0.016 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.650 -4.954 0.103 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.145 -6.524 0.454 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -12.260 -6.057 0.576 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.387 -7.039 0.806 1.00 0.00 N ATOM 0 H HIS A 94 -7.228 -2.859 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.725 -5.444 0.334 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.266 -3.361 0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.600 -3.837 -1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.209 -7.059 0.515 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.323 -6.137 0.748 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.589 -7.972 1.165 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.106 -5.435 -2.787 1.00 0.00 N ATOM 1507 CA HIS A 95 -7.026 -6.304 -3.995 1.00 0.00 C ATOM 1508 C HIS A 95 -6.053 -7.451 -3.721 1.00 0.00 C ATOM 1509 O HIS A 95 -6.140 -8.506 -4.318 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.538 -5.486 -5.196 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.627 -5.411 -6.231 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -8.545 -6.436 -6.415 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.964 -4.438 -7.139 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -9.383 -6.059 -7.398 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -9.072 -4.851 -7.871 1.00 0.00 N ATOM 0 H HIS A 95 -6.537 -4.589 -2.819 1.00 0.00 H new ATOM 0 HA HIS A 95 -8.014 -6.706 -4.221 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.257 -4.483 -4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.647 -5.945 -5.624 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -8.578 -7.315 -5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.448 -3.497 -7.265 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.205 -6.659 -7.759 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.134 -7.261 -2.813 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.170 -8.351 -2.497 1.00 0.00 C ATOM 1526 C LEU A 96 -4.881 -9.412 -1.657 1.00 0.00 C ATOM 1527 O LEU A 96 -4.938 -10.568 -2.025 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.980 -7.785 -1.723 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.682 -8.310 -2.340 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.490 -7.803 -1.529 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.694 -9.841 -2.330 1.00 0.00 C ATOM 0 H LEU A 96 -5.010 -6.401 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.804 -8.798 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.996 -6.696 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.042 -8.076 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.599 -7.955 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.435 -8.177 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.481 -6.713 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.572 -8.157 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.769 -10.215 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.778 -10.197 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.543 -10.202 -2.910 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.444 -9.031 -0.540 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.164 -10.029 0.294 1.00 0.00 C ATOM 1545 C GLU A 97 -7.131 -10.799 -0.605 1.00 0.00 C ATOM 1546 O GLU A 97 -7.751 -11.760 -0.197 1.00 0.00 O ATOM 1547 CB GLU A 97 -6.947 -9.313 1.398 1.00 0.00 C ATOM 1548 CG GLU A 97 -8.043 -10.237 1.932 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.622 -9.647 3.220 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -8.781 -8.439 3.275 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -8.897 -10.414 4.128 1.00 0.00 O ATOM 0 H GLU A 97 -5.435 -8.079 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.453 -10.714 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.275 -9.025 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.389 -8.396 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.830 -10.355 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.635 -11.229 2.125 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.250 -10.382 -1.839 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.157 -11.087 -2.781 1.00 0.00 C ATOM 1560 C GLU A 98 -7.387 -12.244 -3.415 1.00 0.00 C ATOM 1561 O GLU A 98 -7.907 -13.328 -3.589 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.620 -10.116 -3.872 1.00 0.00 C ATOM 1563 CG GLU A 98 -10.020 -10.510 -4.348 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.619 -9.368 -5.171 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.187 -8.242 -4.987 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.500 -9.638 -5.971 1.00 0.00 O ATOM 0 H GLU A 98 -6.755 -9.581 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.031 -11.465 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.629 -9.097 -3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.922 -10.133 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.969 -11.418 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.658 -10.730 -3.492 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.141 -12.025 -3.749 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.336 -13.119 -4.355 1.00 0.00 C ATOM 1575 C LEU A 99 -5.226 -14.265 -3.349 1.00 0.00 C ATOM 1576 O LEU A 99 -4.842 -15.368 -3.683 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.936 -12.598 -4.691 1.00 0.00 C ATOM 1578 CG LEU A 99 -3.919 -12.037 -6.115 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.190 -10.693 -6.125 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.190 -13.018 -7.036 1.00 0.00 C ATOM 0 H LEU A 99 -5.651 -11.139 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.816 -13.471 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.647 -11.823 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.207 -13.403 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.942 -11.897 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.178 -10.293 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.706 -9.995 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.166 -10.832 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.176 -12.622 -8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.167 -13.154 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.707 -13.977 -7.028 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.559 -14.005 -2.114 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.477 -15.069 -1.073 1.00 0.00 C ATOM 1594 C VAL A 100 -6.885 -15.536 -0.703 1.00 0.00 C ATOM 1595 O VAL A 100 -7.115 -16.699 -0.440 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.772 -14.510 0.165 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.869 -13.354 -0.249 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.806 -14.001 1.163 1.00 0.00 C ATOM 0 H VAL A 100 -5.885 -13.098 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.912 -15.917 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.179 -15.299 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.365 -12.953 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.126 -13.710 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.470 -12.571 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.298 -13.604 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.401 -13.213 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.459 -14.821 1.460 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.826 -14.635 -0.671 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.212 -15.026 -0.308 1.00 0.00 C ATOM 1610 C HIS A 101 -9.640 -16.230 -1.150 1.00 0.00 C ATOM 1611 O HIS A 101 -10.424 -17.053 -0.722 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.160 -13.856 -0.570 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.467 -14.102 0.130 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -11.608 -13.974 1.505 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.703 -14.474 -0.340 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -12.886 -14.262 1.811 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.592 -14.574 0.723 1.00 0.00 N ATOM 0 H HIS A 101 -7.694 -13.646 -0.881 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.248 -15.291 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.714 -12.927 -0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.325 -13.741 -1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.946 -14.660 -1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.290 -14.243 2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.578 -14.832 0.680 1.00 0.00 H new ATOM 1626 N ARG A 102 -9.129 -16.336 -2.345 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.504 -17.483 -3.219 1.00 0.00 C ATOM 1628 C ARG A 102 -9.095 -18.794 -2.547 1.00 0.00 C ATOM 1629 O ARG A 102 -9.514 -19.836 -3.022 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.786 -17.351 -4.562 1.00 0.00 C ATOM 1631 CG ARG A 102 -9.118 -15.994 -5.185 1.00 0.00 C ATOM 1632 CD ARG A 102 -9.453 -16.174 -6.668 1.00 0.00 C ATOM 1633 NE ARG A 102 -10.426 -17.292 -6.832 1.00 0.00 N ATOM 1634 CZ ARG A 102 -11.634 -17.185 -6.349 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -11.996 -16.100 -5.720 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -12.482 -18.166 -6.498 1.00 0.00 N ATOM 1637 OXT ARG A 102 -8.371 -18.734 -1.567 1.00 0.00 O ATOM 0 H ARG A 102 -8.467 -15.677 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.582 -17.482 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.709 -17.445 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.092 -18.155 -5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.962 -15.541 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.272 -15.315 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.873 -15.252 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.545 -16.384 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.147 -18.142 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.334 -15.332 -5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.941 -16.020 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.200 -19.013 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.427 -18.085 -6.122 1.00 0.00 H new TER 1651 ARG A 102