USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 763 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 84 GLN : amide:sc= -4.51! C(o=-7.9!,f=-9.6!) USER MOD Set 1.2: A 87 GLN : amide:sc= -3.43! C(o=-7.9!,f=-19!) USER MOD Set 2.1: A 53 SER OG : rot -49:sc= 0.0165 USER MOD Set 2.2: A 82 THR OG1 : rot 94:sc=0.000889 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.7!) USER MOD Single : A 36 ASN : amide:sc= -0.487 K(o=-0.49,f=-2.1!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.0528 (180deg=-0.476) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.372 USER MOD Single : A 55 SER OG : rot 180:sc= 0.119 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.164) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.5!) USER MOD Single : A 60 SER OG : rot -31:sc= 0.105 USER MOD Single : A 61 LYS NZ :NH3+ -129:sc= -0.177 (180deg=-1.3!) USER MOD Single : A 62 THR OG1 : rot -65:sc= 0.262 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 90 SER OG : rot 58:sc= -1.74! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.45) USER MOD Single : A 98 GLN :FLIP amide:sc= 0.201 F(o=-0.65,f=0.2) USER MOD Single : A 99 THR OG1 : rot 4:sc= 1.75 USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= -0.14 (180deg=-0.233) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0807 F(o=-0.66,f=-0.081) USER MOD Single : A 106 SER OG : rot 180:sc= -0.193 USER MOD Single : A 107 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0858) USER MOD Single : A 109 GLN :FLIP amide:sc= -3.14! C(o=-8.7!,f=-3.1!) USER MOD Single : A 111 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.793 F(o=-2.2,f=-0.79) USER MOD Single : A 122 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.37) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 126 ASN : amide:sc= -0.0978 K(o=-0.098,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 -5.931 17.858 -12.522 1.00 0.00 N ATOM 2 CA MET A 31 -5.231 16.780 -13.274 1.00 0.00 C ATOM 3 C MET A 31 -3.745 17.112 -13.371 1.00 0.00 C ATOM 4 O MET A 31 -2.892 16.245 -13.190 1.00 0.00 O ATOM 5 CB MET A 31 -5.832 16.668 -14.678 1.00 0.00 C ATOM 6 CG MET A 31 -5.187 15.496 -15.422 1.00 0.00 C ATOM 7 SD MET A 31 -5.885 15.382 -17.087 1.00 0.00 S ATOM 8 CE MET A 31 -7.270 14.293 -16.680 1.00 0.00 C ATOM 0 HA MET A 31 -5.353 15.830 -12.754 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.910 16.521 -14.612 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.670 17.595 -15.229 1.00 0.00 H new ATOM 0 HG2 MET A 31 -4.107 15.636 -15.477 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.360 14.567 -14.879 1.00 0.00 H new ATOM 0 HE1 MET A 31 -7.848 14.087 -17.581 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.889 13.357 -16.272 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.909 14.777 -15.942 1.00 0.00 H new ATOM 18 N GLY A 32 -3.444 18.375 -13.659 1.00 0.00 N ATOM 19 CA GLY A 32 -2.055 18.811 -13.780 1.00 0.00 C ATOM 20 C GLY A 32 -1.935 20.312 -13.540 1.00 0.00 C ATOM 21 O GLY A 32 -1.175 21.000 -14.220 1.00 0.00 O ATOM 0 H GLY A 32 -4.135 19.109 -13.812 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.436 18.273 -13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.677 18.566 -14.773 1.00 0.00 H new ATOM 25 N LYS A 33 -2.692 20.814 -12.570 1.00 0.00 N ATOM 26 CA LYS A 33 -2.664 22.236 -12.252 1.00 0.00 C ATOM 27 C LYS A 33 -1.282 22.646 -11.753 1.00 0.00 C ATOM 28 O LYS A 33 -0.752 23.685 -12.146 1.00 0.00 O ATOM 29 CB LYS A 33 -3.709 22.552 -11.179 1.00 0.00 C ATOM 30 CG LYS A 33 -3.765 24.065 -10.951 1.00 0.00 C ATOM 31 CD LYS A 33 -4.847 24.385 -9.919 1.00 0.00 C ATOM 32 CE LYS A 33 -4.925 25.899 -9.713 1.00 0.00 C ATOM 33 NZ LYS A 33 -5.931 26.206 -8.658 1.00 0.00 N1+ ATOM 0 H LYS A 33 -3.328 20.262 -11.995 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.892 22.796 -13.159 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.687 22.184 -11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.457 22.042 -10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.797 24.427 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.979 24.577 -11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.811 24.003 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.621 23.890 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.949 26.288 -9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.200 26.390 -10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.984 27.235 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.862 25.848 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.650 25.749 -7.767 1.00 0.00 H new ATOM 47 N ASN A 34 -0.704 21.823 -10.885 1.00 0.00 N ATOM 48 CA ASN A 34 0.617 22.111 -10.340 1.00 0.00 C ATOM 49 C ASN A 34 1.687 21.937 -11.410 1.00 0.00 C ATOM 50 O ASN A 34 1.678 20.958 -12.157 1.00 0.00 O ATOM 51 CB ASN A 34 0.912 21.175 -9.166 1.00 0.00 C ATOM 52 CG ASN A 34 0.035 21.540 -7.974 1.00 0.00 C ATOM 53 OD1 ASN A 34 -0.446 22.669 -7.878 1.00 0.00 O ATOM 54 ND2 ASN A 34 -0.208 20.643 -7.056 1.00 0.00 N ATOM 0 H ASN A 34 -1.125 20.958 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 34 0.629 23.145 -9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.729 20.141 -9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.964 21.246 -8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.798 20.877 -6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.192 19.708 -7.138 1.00 0.00 H new ATOM 61 N ASP A 35 2.611 22.891 -11.479 1.00 0.00 N ATOM 62 CA ASP A 35 3.690 22.836 -12.462 1.00 0.00 C ATOM 63 C ASP A 35 4.876 22.055 -11.910 1.00 0.00 C ATOM 64 O ASP A 35 5.886 21.881 -12.590 1.00 0.00 O ATOM 65 CB ASP A 35 4.137 24.251 -12.829 1.00 0.00 C ATOM 66 CG ASP A 35 3.061 24.937 -13.665 1.00 0.00 C ATOM 67 OD1 ASP A 35 2.212 24.237 -14.193 1.00 0.00 O1- ATOM 68 OD2 ASP A 35 3.107 26.152 -13.772 1.00 0.00 O ATOM 0 H ASP A 35 2.635 23.708 -10.869 1.00 0.00 H new ATOM 0 HA ASP A 35 3.318 22.331 -13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.328 24.827 -11.924 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.073 24.213 -13.386 1.00 0.00 H new ATOM 73 N ASN A 36 4.745 21.584 -10.672 1.00 0.00 N ATOM 74 CA ASN A 36 5.819 20.822 -10.037 1.00 0.00 C ATOM 75 C ASN A 36 5.672 19.338 -10.344 1.00 0.00 C ATOM 76 O ASN A 36 6.429 18.511 -9.836 1.00 0.00 O ATOM 77 CB ASN A 36 5.782 21.033 -8.523 1.00 0.00 C ATOM 78 CG ASN A 36 6.194 22.463 -8.190 1.00 0.00 C ATOM 79 OD1 ASN A 36 6.854 23.123 -8.992 1.00 0.00 O ATOM 80 ND2 ASN A 36 5.835 22.985 -7.049 1.00 0.00 N ATOM 0 H ASN A 36 3.915 21.714 -10.093 1.00 0.00 H new ATOM 0 HA ASN A 36 6.772 21.174 -10.432 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.779 20.836 -8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.453 20.328 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.101 23.943 -6.820 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.288 22.435 -6.386 1.00 0.00 H new ATOM 87 N ASP A 37 4.695 19.004 -11.185 1.00 0.00 N ATOM 88 CA ASP A 37 4.456 17.612 -11.560 1.00 0.00 C ATOM 89 C ASP A 37 5.228 17.256 -12.824 1.00 0.00 C ATOM 90 O ASP A 37 5.146 16.133 -13.321 1.00 0.00 O ATOM 91 CB ASP A 37 2.961 17.378 -11.789 1.00 0.00 C ATOM 92 CG ASP A 37 2.196 17.569 -10.483 1.00 0.00 C ATOM 93 OD1 ASP A 37 2.836 17.621 -9.446 1.00 0.00 O ATOM 94 OD2 ASP A 37 0.981 17.657 -10.539 1.00 0.00 O1- ATOM 0 H ASP A 37 4.059 19.674 -11.618 1.00 0.00 H new ATOM 0 HA ASP A 37 4.801 16.975 -10.746 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.588 18.071 -12.543 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.797 16.371 -12.172 1.00 0.00 H new ATOM 99 N ALA A 38 5.978 18.221 -13.335 1.00 0.00 N ATOM 100 CA ALA A 38 6.768 18.004 -14.544 1.00 0.00 C ATOM 101 C ALA A 38 7.929 17.063 -14.262 1.00 0.00 C ATOM 102 O ALA A 38 8.597 17.178 -13.234 1.00 0.00 O ATOM 103 CB ALA A 38 7.306 19.334 -15.071 1.00 0.00 C ATOM 0 H ALA A 38 6.058 19.157 -12.937 1.00 0.00 H new ATOM 0 HA ALA A 38 6.121 17.554 -15.297 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.893 19.158 -15.972 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.473 19.997 -15.305 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.937 19.798 -14.312 1.00 0.00 H new ATOM 109 N LEU A 39 8.168 16.125 -15.182 1.00 0.00 N ATOM 110 CA LEU A 39 9.256 15.160 -15.024 1.00 0.00 C ATOM 111 C LEU A 39 10.350 15.416 -16.041 1.00 0.00 C ATOM 112 O LEU A 39 10.082 15.599 -17.227 1.00 0.00 O ATOM 113 CB LEU A 39 8.723 13.739 -15.197 1.00 0.00 C ATOM 114 CG LEU A 39 7.394 13.577 -14.417 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.212 13.811 -15.362 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.302 12.161 -13.837 1.00 0.00 C ATOM 0 H LEU A 39 7.626 16.014 -16.039 1.00 0.00 H new ATOM 0 HA LEU A 39 9.672 15.274 -14.023 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.563 13.527 -16.254 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.457 13.019 -14.836 1.00 0.00 H new ATOM 0 HG LEU A 39 7.366 14.305 -13.606 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.278 13.697 -14.812 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.269 14.819 -15.774 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.246 13.085 -16.174 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.366 12.052 -13.289 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.335 11.433 -14.648 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.140 11.990 -13.161 1.00 0.00 H new ATOM 128 N ILE A 40 11.587 15.426 -15.563 1.00 0.00 N ATOM 129 CA ILE A 40 12.738 15.662 -16.439 1.00 0.00 C ATOM 130 C ILE A 40 13.363 14.340 -16.862 1.00 0.00 C ATOM 131 O ILE A 40 13.274 13.343 -16.147 1.00 0.00 O ATOM 132 CB ILE A 40 13.784 16.519 -15.720 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.242 17.943 -15.548 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.074 16.564 -16.548 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.005 17.931 -14.637 1.00 0.00 C ATOM 0 H ILE A 40 11.823 15.275 -14.582 1.00 0.00 H new ATOM 0 HA ILE A 40 12.391 16.191 -17.327 1.00 0.00 H new ATOM 0 HB ILE A 40 13.997 16.085 -14.743 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.012 18.584 -15.120 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.983 18.362 -16.520 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.816 17.175 -16.033 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.461 15.553 -16.674 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.864 16.997 -17.526 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.628 18.947 -14.522 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.231 17.306 -15.082 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.277 17.532 -13.660 1.00 0.00 H new ATOM 147 N MET A 41 13.999 14.340 -18.030 1.00 0.00 N ATOM 148 CA MET A 41 14.647 13.135 -18.547 1.00 0.00 C ATOM 149 C MET A 41 16.126 13.120 -18.168 1.00 0.00 C ATOM 150 O MET A 41 16.841 14.101 -18.375 1.00 0.00 O ATOM 151 CB MET A 41 14.509 13.083 -20.068 1.00 0.00 C ATOM 152 CG MET A 41 15.089 11.766 -20.583 1.00 0.00 C ATOM 153 SD MET A 41 14.783 11.626 -22.360 1.00 0.00 S ATOM 154 CE MET A 41 15.270 9.892 -22.536 1.00 0.00 C ATOM 0 H MET A 41 14.080 15.157 -18.636 1.00 0.00 H new ATOM 0 HA MET A 41 14.161 12.264 -18.107 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.460 13.168 -20.353 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.031 13.926 -20.521 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.160 11.725 -20.383 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.634 10.926 -20.058 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.158 9.586 -23.576 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.310 9.774 -22.233 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.635 9.270 -21.905 1.00 0.00 H new ATOM 164 N CYS A 42 16.574 12.005 -17.599 1.00 0.00 N ATOM 165 CA CYS A 42 17.966 11.869 -17.178 1.00 0.00 C ATOM 166 C CYS A 42 18.902 11.679 -18.372 1.00 0.00 C ATOM 167 O CYS A 42 18.605 10.943 -19.303 1.00 0.00 O ATOM 168 CB CYS A 42 18.114 10.665 -16.242 1.00 0.00 C ATOM 169 SG CYS A 42 19.712 10.752 -15.389 1.00 0.00 S ATOM 0 H CYS A 42 15.996 11.184 -17.419 1.00 0.00 H new ATOM 0 HA CYS A 42 18.241 12.789 -16.662 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.302 10.655 -15.515 1.00 0.00 H new ATOM 0 HB3 CYS A 42 18.044 9.738 -16.811 1.00 0.00 H new ATOM 174 N MET A 43 20.037 12.352 -18.334 1.00 0.00 N ATOM 175 CA MET A 43 21.011 12.237 -19.414 1.00 0.00 C ATOM 176 C MET A 43 21.829 10.959 -19.249 1.00 0.00 C ATOM 177 O MET A 43 22.759 10.707 -20.014 1.00 0.00 O ATOM 178 CB MET A 43 21.952 13.440 -19.400 1.00 0.00 C ATOM 179 CG MET A 43 22.516 13.655 -17.969 1.00 0.00 C ATOM 180 SD MET A 43 24.327 13.663 -18.009 1.00 0.00 S ATOM 181 CE MET A 43 24.528 15.414 -18.409 1.00 0.00 C ATOM 0 H MET A 43 20.310 12.979 -17.577 1.00 0.00 H new ATOM 0 HA MET A 43 20.475 12.205 -20.363 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.770 13.281 -20.102 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.420 14.333 -19.728 1.00 0.00 H new ATOM 0 HG2 MET A 43 22.149 14.598 -17.563 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.162 12.864 -17.308 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.589 15.650 -18.485 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.040 15.628 -19.360 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.076 16.021 -17.624 1.00 0.00 H new ATOM 191 N ARG A 44 21.480 10.154 -18.240 1.00 0.00 N ATOM 192 CA ARG A 44 22.192 8.900 -17.976 1.00 0.00 C ATOM 193 C ARG A 44 21.238 7.716 -18.041 1.00 0.00 C ATOM 194 O ARG A 44 21.039 7.125 -19.100 1.00 0.00 O ATOM 195 CB ARG A 44 22.842 8.958 -16.595 1.00 0.00 C ATOM 196 CG ARG A 44 23.924 10.043 -16.573 1.00 0.00 C ATOM 197 CD ARG A 44 25.108 9.636 -17.467 1.00 0.00 C ATOM 198 NE ARG A 44 26.326 10.285 -17.013 1.00 0.00 N ATOM 199 CZ ARG A 44 27.455 10.165 -17.701 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.478 9.459 -18.799 1.00 0.00 N ATOM 201 NH2 ARG A 44 28.540 10.749 -17.277 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.713 10.347 -17.596 1.00 0.00 H new ATOM 0 HA ARG A 44 22.960 8.771 -18.738 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.088 9.169 -15.837 1.00 0.00 H new ATOM 0 HB3 ARG A 44 23.280 7.991 -16.349 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.507 10.989 -16.919 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.269 10.201 -15.551 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.234 8.554 -17.445 1.00 0.00 H new ATOM 0 HD3 ARG A 44 24.904 9.912 -18.501 1.00 0.00 H new ATOM 0 HE ARG A 44 26.314 10.839 -16.156 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.629 9.000 -19.128 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.345 9.367 -19.328 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.521 11.298 -16.417 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.408 10.657 -17.805 1.00 0.00 H new ATOM 215 N CYS A 45 20.656 7.373 -16.901 1.00 0.00 N ATOM 216 CA CYS A 45 19.731 6.248 -16.838 1.00 0.00 C ATOM 217 C CYS A 45 18.473 6.538 -17.644 1.00 0.00 C ATOM 218 O CYS A 45 17.548 5.727 -17.680 1.00 0.00 O ATOM 219 CB CYS A 45 19.356 5.955 -15.383 1.00 0.00 C ATOM 220 SG CYS A 45 18.359 7.316 -14.727 1.00 0.00 S ATOM 0 H CYS A 45 20.805 7.852 -16.013 1.00 0.00 H new ATOM 0 HA CYS A 45 20.226 5.376 -17.265 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.799 5.020 -15.322 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.257 5.829 -14.783 1.00 0.00 H new ATOM 225 N ARG A 46 18.446 7.695 -18.296 1.00 0.00 N ATOM 226 CA ARG A 46 17.293 8.076 -19.105 1.00 0.00 C ATOM 227 C ARG A 46 15.990 7.716 -18.409 1.00 0.00 C ATOM 228 O ARG A 46 15.016 7.331 -19.053 1.00 0.00 O ATOM 229 CB ARG A 46 17.358 7.388 -20.468 1.00 0.00 C ATOM 230 CG ARG A 46 18.509 7.982 -21.285 1.00 0.00 C ATOM 231 CD ARG A 46 18.558 7.313 -22.657 1.00 0.00 C ATOM 232 NE ARG A 46 18.940 5.911 -22.523 1.00 0.00 N ATOM 233 CZ ARG A 46 19.011 5.112 -23.583 1.00 0.00 C ATOM 234 NH1 ARG A 46 18.737 5.578 -24.771 1.00 0.00 N ATOM 235 NH2 ARG A 46 19.355 3.863 -23.437 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.201 8.380 -18.281 1.00 0.00 H new ATOM 0 HA ARG A 46 17.321 9.157 -19.242 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.505 6.316 -20.339 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.415 7.519 -20.999 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.372 9.057 -21.398 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.454 7.834 -20.763 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.584 7.387 -23.140 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.272 7.832 -23.297 1.00 0.00 H new ATOM 0 HE ARG A 46 19.157 5.537 -21.599 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.468 6.555 -24.886 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.792 4.965 -25.584 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.570 3.498 -22.509 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.409 3.250 -24.251 1.00 0.00 H new ATOM 249 N LYS A 47 15.980 7.840 -17.086 1.00 0.00 N ATOM 250 CA LYS A 47 14.789 7.522 -16.309 1.00 0.00 C ATOM 251 C LYS A 47 13.975 8.781 -16.048 1.00 0.00 C ATOM 252 O LYS A 47 14.424 9.689 -15.351 1.00 0.00 O ATOM 253 CB LYS A 47 15.190 6.892 -14.973 1.00 0.00 C ATOM 254 CG LYS A 47 13.952 6.252 -14.315 1.00 0.00 C ATOM 255 CD LYS A 47 13.776 4.804 -14.821 1.00 0.00 C ATOM 256 CE LYS A 47 14.607 3.853 -13.958 1.00 0.00 C ATOM 257 NZ LYS A 47 14.402 2.457 -14.425 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.777 8.156 -16.533 1.00 0.00 H new ATOM 0 HA LYS A 47 14.183 6.817 -16.878 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.962 6.138 -15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.615 7.650 -14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.063 6.256 -13.231 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.063 6.838 -14.547 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.724 4.520 -14.783 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.088 4.732 -15.863 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.663 4.117 -14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.315 3.945 -12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.966 1.809 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.395 2.208 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.701 2.376 -15.418 1.00 0.00 H new ATOM 271 N VAL A 48 12.776 8.830 -16.619 1.00 0.00 N ATOM 272 CA VAL A 48 11.914 9.992 -16.449 1.00 0.00 C ATOM 273 C VAL A 48 11.243 9.959 -15.080 1.00 0.00 C ATOM 274 O VAL A 48 10.431 9.076 -14.796 1.00 0.00 O ATOM 275 CB VAL A 48 10.841 10.013 -17.544 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.254 11.419 -17.669 1.00 0.00 C ATOM 277 CG2 VAL A 48 11.464 9.594 -18.876 1.00 0.00 C ATOM 0 H VAL A 48 12.383 8.087 -17.197 1.00 0.00 H new ATOM 0 HA VAL A 48 12.526 10.891 -16.524 1.00 0.00 H new ATOM 0 HB VAL A 48 10.044 9.317 -17.281 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.492 11.427 -18.449 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.805 11.712 -16.720 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.046 12.122 -17.928 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.702 9.609 -19.655 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.264 10.287 -19.138 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.872 8.587 -18.786 1.00 0.00 H new ATOM 287 N LYS A 49 11.585 10.927 -14.236 1.00 0.00 N ATOM 288 CA LYS A 49 11.018 11.011 -12.890 1.00 0.00 C ATOM 289 C LYS A 49 10.696 12.450 -12.533 1.00 0.00 C ATOM 290 O LYS A 49 11.152 13.385 -13.191 1.00 0.00 O ATOM 291 CB LYS A 49 12.009 10.433 -11.882 1.00 0.00 C ATOM 292 CG LYS A 49 11.970 8.893 -11.917 1.00 0.00 C ATOM 293 CD LYS A 49 10.865 8.381 -10.982 1.00 0.00 C ATOM 294 CE LYS A 49 10.869 6.856 -10.979 1.00 0.00 C ATOM 295 NZ LYS A 49 10.549 6.361 -12.347 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.252 11.666 -14.458 1.00 0.00 H new ATOM 0 HA LYS A 49 10.093 10.436 -12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.016 10.783 -12.110 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.767 10.787 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.788 8.547 -12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.935 8.488 -11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.025 8.758 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.894 8.752 -11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.844 6.484 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.138 6.480 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.236 5.371 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.791 6.942 -12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.397 6.424 -12.946 1.00 0.00 H new ATOM 309 N GLY A 50 9.892 12.622 -11.488 1.00 0.00 N ATOM 310 CA GLY A 50 9.495 13.955 -11.048 1.00 0.00 C ATOM 311 C GLY A 50 10.440 14.485 -9.982 1.00 0.00 C ATOM 312 O GLY A 50 11.449 13.856 -9.664 1.00 0.00 O ATOM 0 H GLY A 50 9.504 11.859 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.486 14.635 -11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.479 13.924 -10.654 1.00 0.00 H new ATOM 316 N ILE A 51 10.112 15.653 -9.439 1.00 0.00 N ATOM 317 CA ILE A 51 10.948 16.257 -8.410 1.00 0.00 C ATOM 318 C ILE A 51 11.265 15.247 -7.302 1.00 0.00 C ATOM 319 O ILE A 51 12.103 15.504 -6.437 1.00 0.00 O ATOM 320 CB ILE A 51 10.233 17.471 -7.808 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.201 18.238 -6.904 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.029 17.002 -6.987 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.601 19.596 -6.552 1.00 0.00 C ATOM 0 H ILE A 51 9.284 16.194 -9.691 1.00 0.00 H new ATOM 0 HA ILE A 51 11.884 16.573 -8.870 1.00 0.00 H new ATOM 0 HB ILE A 51 9.891 18.124 -8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.396 17.668 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.158 18.371 -7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.521 17.867 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.339 16.458 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.369 16.347 -6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.290 20.142 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.429 20.165 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.655 19.452 -6.031 1.00 0.00 H new ATOM 335 N ASP A 52 10.596 14.097 -7.337 1.00 0.00 N ATOM 336 CA ASP A 52 10.817 13.062 -6.339 1.00 0.00 C ATOM 337 C ASP A 52 12.209 12.461 -6.487 1.00 0.00 C ATOM 338 O ASP A 52 12.908 12.230 -5.502 1.00 0.00 O ATOM 339 CB ASP A 52 9.762 11.967 -6.489 1.00 0.00 C ATOM 340 CG ASP A 52 9.960 10.908 -5.412 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.051 11.281 -4.254 1.00 0.00 O ATOM 342 OD2 ASP A 52 10.017 9.740 -5.761 1.00 0.00 O1- ATOM 0 H ASP A 52 9.900 13.862 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 52 10.737 13.511 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.764 12.398 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.835 11.512 -7.477 1.00 0.00 H new ATOM 347 N SER A 53 12.602 12.216 -7.730 1.00 0.00 N ATOM 348 CA SER A 53 13.925 11.641 -8.008 1.00 0.00 C ATOM 349 C SER A 53 14.905 12.726 -8.435 1.00 0.00 C ATOM 350 O SER A 53 16.078 12.452 -8.684 1.00 0.00 O ATOM 351 CB SER A 53 13.826 10.581 -9.102 1.00 0.00 C ATOM 352 OG SER A 53 14.899 9.661 -8.960 1.00 0.00 O ATOM 0 H SER A 53 12.036 12.402 -8.558 1.00 0.00 H new ATOM 0 HA SER A 53 14.290 11.177 -7.092 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.872 10.059 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.862 11.051 -10.085 1.00 0.00 H new ATOM 0 HG SER A 53 15.741 10.153 -8.861 1.00 0.00 H new ATOM 358 N TYR A 54 14.415 13.961 -8.526 1.00 0.00 N ATOM 359 CA TYR A 54 15.252 15.095 -8.936 1.00 0.00 C ATOM 360 C TYR A 54 15.400 16.088 -7.791 1.00 0.00 C ATOM 361 O TYR A 54 14.411 16.554 -7.225 1.00 0.00 O ATOM 362 CB TYR A 54 14.624 15.792 -10.165 1.00 0.00 C ATOM 363 CG TYR A 54 15.215 15.232 -11.444 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.286 13.851 -11.643 1.00 0.00 C ATOM 365 CD2 TYR A 54 15.709 16.102 -12.421 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.846 13.337 -12.809 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.268 15.588 -13.592 1.00 0.00 C ATOM 368 CZ TYR A 54 16.338 14.203 -13.786 1.00 0.00 C ATOM 369 OH TYR A 54 16.891 13.696 -14.942 1.00 0.00 O ATOM 0 H TYR A 54 13.446 14.205 -8.323 1.00 0.00 H new ATOM 0 HA TYR A 54 16.242 14.723 -9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.544 15.648 -10.161 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.802 16.866 -10.113 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.905 13.179 -10.888 1.00 0.00 H new ATOM 0 HD2 TYR A 54 15.658 17.170 -12.270 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.900 12.269 -12.957 1.00 0.00 H new ATOM 0 HE2 TYR A 54 16.647 16.259 -14.349 1.00 0.00 H new ATOM 0 HH TYR A 54 17.183 14.435 -15.516 1.00 0.00 H new ATOM 379 N SER A 55 16.646 16.403 -7.457 1.00 0.00 N ATOM 380 CA SER A 55 16.918 17.337 -6.376 1.00 0.00 C ATOM 381 C SER A 55 16.253 18.679 -6.658 1.00 0.00 C ATOM 382 O SER A 55 15.973 19.016 -7.809 1.00 0.00 O ATOM 383 CB SER A 55 18.431 17.537 -6.229 1.00 0.00 C ATOM 384 OG SER A 55 18.857 18.558 -7.120 1.00 0.00 O ATOM 0 H SER A 55 17.476 16.028 -7.916 1.00 0.00 H new ATOM 0 HA SER A 55 16.514 16.927 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.676 17.809 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.955 16.606 -6.446 1.00 0.00 H new ATOM 0 HG SER A 55 19.824 18.690 -7.028 1.00 0.00 H new ATOM 390 N LYS A 56 15.997 19.438 -5.597 1.00 0.00 N ATOM 391 CA LYS A 56 15.355 20.740 -5.741 1.00 0.00 C ATOM 392 C LYS A 56 16.206 21.665 -6.602 1.00 0.00 C ATOM 393 O LYS A 56 15.701 22.313 -7.519 1.00 0.00 O ATOM 394 CB LYS A 56 15.146 21.370 -4.362 1.00 0.00 C ATOM 395 CG LYS A 56 14.374 22.684 -4.511 1.00 0.00 C ATOM 396 CD LYS A 56 14.100 23.275 -3.128 1.00 0.00 C ATOM 397 CE LYS A 56 13.299 24.570 -3.276 1.00 0.00 C ATOM 398 NZ LYS A 56 14.169 25.636 -3.849 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.222 19.177 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 56 14.390 20.599 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.596 20.684 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.109 21.554 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.948 23.389 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.435 22.509 -5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.547 22.560 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.040 23.473 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.437 24.404 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.914 24.884 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.709 26.561 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.085 25.639 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.322 25.453 -4.861 1.00 0.00 H new ATOM 412 N THR A 57 17.498 21.721 -6.301 1.00 0.00 N ATOM 413 CA THR A 57 18.409 22.570 -7.058 1.00 0.00 C ATOM 414 C THR A 57 18.468 22.122 -8.513 1.00 0.00 C ATOM 415 O THR A 57 18.422 22.943 -9.429 1.00 0.00 O ATOM 416 CB THR A 57 19.809 22.517 -6.442 1.00 0.00 C ATOM 417 OG1 THR A 57 19.764 23.043 -5.124 1.00 0.00 O ATOM 418 CG2 THR A 57 20.779 23.343 -7.292 1.00 0.00 C ATOM 0 H THR A 57 17.935 21.194 -5.545 1.00 0.00 H new ATOM 0 HA THR A 57 18.040 23.595 -7.021 1.00 0.00 H new ATOM 0 HB THR A 57 20.152 21.483 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.659 23.008 -4.727 1.00 0.00 H new ATOM 0 HG21 THR A 57 21.775 23.303 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 57 20.814 22.937 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 57 20.440 24.378 -7.329 1.00 0.00 H new ATOM 426 N GLN A 58 18.570 20.812 -8.720 1.00 0.00 N ATOM 427 CA GLN A 58 18.632 20.268 -10.071 1.00 0.00 C ATOM 428 C GLN A 58 17.326 20.531 -10.817 1.00 0.00 C ATOM 429 O GLN A 58 17.327 21.061 -11.927 1.00 0.00 O ATOM 430 CB GLN A 58 18.897 18.758 -10.011 1.00 0.00 C ATOM 431 CG GLN A 58 18.738 18.157 -11.405 1.00 0.00 C ATOM 432 CD GLN A 58 19.371 16.771 -11.454 1.00 0.00 C ATOM 433 OE1 GLN A 58 18.684 15.781 -11.709 1.00 0.00 O ATOM 434 NE2 GLN A 58 20.648 16.642 -11.223 1.00 0.00 N ATOM 0 H GLN A 58 18.611 20.114 -7.977 1.00 0.00 H new ATOM 0 HA GLN A 58 19.445 20.760 -10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 58 19.902 18.569 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.203 18.284 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.681 18.092 -11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 58 19.207 18.806 -12.145 1.00 0.00 H new ATOM 0 HE21 GLN A 58 21.214 17.464 -11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 58 21.081 15.719 -11.253 1.00 0.00 H new ATOM 443 N TRP A 59 16.219 20.155 -10.202 1.00 0.00 N ATOM 444 CA TRP A 59 14.915 20.350 -10.816 1.00 0.00 C ATOM 445 C TRP A 59 14.725 21.807 -11.211 1.00 0.00 C ATOM 446 O TRP A 59 14.104 22.105 -12.227 1.00 0.00 O ATOM 447 CB TRP A 59 13.805 19.935 -9.843 1.00 0.00 C ATOM 448 CG TRP A 59 12.476 20.051 -10.517 1.00 0.00 C ATOM 449 CD1 TRP A 59 11.945 19.127 -11.350 1.00 0.00 C ATOM 450 CD2 TRP A 59 11.501 21.130 -10.428 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.708 19.573 -11.779 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.392 20.802 -11.241 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.472 22.349 -9.730 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.292 21.653 -11.358 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.367 23.210 -9.843 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.279 22.862 -10.657 1.00 0.00 C ATOM 0 H TRP A 59 16.195 19.715 -9.282 1.00 0.00 H new ATOM 0 HA TRP A 59 14.861 19.730 -11.711 1.00 0.00 H new ATOM 0 HB2 TRP A 59 13.966 18.910 -9.508 1.00 0.00 H new ATOM 0 HB3 TRP A 59 13.830 20.568 -8.956 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.410 18.195 -11.633 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.103 19.055 -12.416 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.305 22.627 -9.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.457 21.379 -11.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 10.356 24.144 -9.301 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.433 23.527 -10.742 1.00 0.00 H new ATOM 467 N SER A 60 15.259 22.710 -10.398 1.00 0.00 N ATOM 468 CA SER A 60 15.142 24.142 -10.662 1.00 0.00 C ATOM 469 C SER A 60 16.232 24.602 -11.625 1.00 0.00 C ATOM 470 O SER A 60 16.138 25.674 -12.218 1.00 0.00 O ATOM 471 CB SER A 60 15.250 24.927 -9.352 1.00 0.00 C ATOM 472 OG SER A 60 14.934 26.291 -9.597 1.00 0.00 O ATOM 0 H SER A 60 15.777 22.478 -9.551 1.00 0.00 H new ATOM 0 HA SER A 60 14.169 24.329 -11.117 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.570 24.512 -8.608 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.258 24.842 -8.945 1.00 0.00 H new ATOM 0 HG SER A 60 15.200 26.530 -10.509 1.00 0.00 H new ATOM 478 N LYS A 61 17.261 23.775 -11.776 1.00 0.00 N ATOM 479 CA LYS A 61 18.364 24.096 -12.671 1.00 0.00 C ATOM 480 C LYS A 61 17.905 24.057 -14.121 1.00 0.00 C ATOM 481 O LYS A 61 18.349 24.856 -14.946 1.00 0.00 O ATOM 482 CB LYS A 61 19.511 23.116 -12.465 1.00 0.00 C ATOM 483 CG LYS A 61 20.718 23.564 -13.289 1.00 0.00 C ATOM 484 CD LYS A 61 21.943 22.710 -12.908 1.00 0.00 C ATOM 485 CE LYS A 61 22.714 23.388 -11.772 1.00 0.00 C ATOM 486 NZ LYS A 61 23.205 24.718 -12.234 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.353 22.882 -11.292 1.00 0.00 H new ATOM 0 HA LYS A 61 18.710 25.104 -12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.776 23.067 -11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.205 22.113 -12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.505 23.460 -14.353 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.925 24.619 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.622 21.715 -12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.592 22.581 -13.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.070 23.508 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.553 22.765 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.222 24.801 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.044 24.811 -13.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.691 25.471 -11.733 1.00 0.00 H new ATOM 500 N THR A 62 17.024 23.111 -14.426 1.00 0.00 N ATOM 501 CA THR A 62 16.522 22.963 -15.785 1.00 0.00 C ATOM 502 C THR A 62 15.634 24.138 -16.167 1.00 0.00 C ATOM 503 O THR A 62 14.927 24.090 -17.171 1.00 0.00 O ATOM 504 CB THR A 62 15.727 21.663 -15.912 1.00 0.00 C ATOM 505 OG1 THR A 62 14.492 21.793 -15.222 1.00 0.00 O ATOM 506 CG2 THR A 62 16.529 20.510 -15.308 1.00 0.00 C ATOM 0 H THR A 62 16.646 22.441 -13.756 1.00 0.00 H new ATOM 0 HA THR A 62 17.377 22.936 -16.460 1.00 0.00 H new ATOM 0 HB THR A 62 15.536 21.458 -16.965 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.662 21.893 -14.262 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.961 19.584 -15.399 1.00 0.00 H new ATOM 0 HG22 THR A 62 17.476 20.408 -15.838 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.723 20.714 -14.255 1.00 0.00 H new ATOM 514 N PHE A 63 15.667 25.196 -15.362 1.00 0.00 N ATOM 515 CA PHE A 63 14.860 26.385 -15.617 1.00 0.00 C ATOM 516 C PHE A 63 15.761 27.607 -15.724 1.00 0.00 C ATOM 517 O PHE A 63 16.806 27.681 -15.079 1.00 0.00 O ATOM 518 CB PHE A 63 13.863 26.593 -14.477 1.00 0.00 C ATOM 519 CG PHE A 63 12.791 25.535 -14.547 1.00 0.00 C ATOM 520 CD1 PHE A 63 12.990 24.297 -13.927 1.00 0.00 C ATOM 521 CD2 PHE A 63 11.603 25.792 -15.234 1.00 0.00 C ATOM 522 CE1 PHE A 63 12.001 23.313 -13.989 1.00 0.00 C ATOM 523 CE2 PHE A 63 10.607 24.807 -15.300 1.00 0.00 C ATOM 524 CZ PHE A 63 10.805 23.566 -14.676 1.00 0.00 C ATOM 0 H PHE A 63 16.246 25.254 -14.524 1.00 0.00 H new ATOM 0 HA PHE A 63 14.318 26.248 -16.553 1.00 0.00 H new ATOM 0 HB2 PHE A 63 14.377 26.542 -13.517 1.00 0.00 H new ATOM 0 HB3 PHE A 63 13.416 27.584 -14.547 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.911 24.102 -13.399 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.451 26.748 -15.714 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.157 22.358 -13.508 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.687 25.004 -15.831 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.038 22.807 -14.725 1.00 0.00 H new ATOM 534 N THR A 64 15.350 28.560 -16.550 1.00 0.00 N ATOM 535 CA THR A 64 16.121 29.786 -16.754 1.00 0.00 C ATOM 536 C THR A 64 15.226 31.001 -16.589 1.00 0.00 C ATOM 537 O THR A 64 14.004 30.900 -16.659 1.00 0.00 O ATOM 538 CB THR A 64 16.738 29.785 -18.163 1.00 0.00 C ATOM 539 OG1 THR A 64 15.789 29.282 -19.094 1.00 0.00 O ATOM 540 CG2 THR A 64 17.988 28.900 -18.179 1.00 0.00 C ATOM 0 H THR A 64 14.487 28.511 -17.091 1.00 0.00 H new ATOM 0 HA THR A 64 16.917 29.829 -16.011 1.00 0.00 H new ATOM 0 HB THR A 64 17.014 30.803 -18.437 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.180 29.282 -19.992 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.422 28.902 -19.179 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.717 29.286 -17.466 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.716 27.881 -17.903 1.00 0.00 H new ATOM 548 N PHE A 65 15.848 32.149 -16.357 1.00 0.00 N ATOM 549 CA PHE A 65 15.110 33.401 -16.175 1.00 0.00 C ATOM 550 C PHE A 65 15.336 34.326 -17.362 1.00 0.00 C ATOM 551 O PHE A 65 16.476 34.626 -17.722 1.00 0.00 O ATOM 552 CB PHE A 65 15.566 34.094 -14.871 1.00 0.00 C ATOM 553 CG PHE A 65 14.360 34.474 -14.044 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.502 33.474 -13.574 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.092 35.817 -13.758 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.380 33.817 -12.818 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.966 36.157 -13.004 1.00 0.00 C ATOM 558 CZ PHE A 65 12.112 35.159 -12.535 1.00 0.00 C ATOM 0 H PHE A 65 16.861 32.244 -16.290 1.00 0.00 H new ATOM 0 HA PHE A 65 14.046 33.175 -16.107 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.213 33.427 -14.301 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.152 34.983 -15.106 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.708 32.437 -13.796 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.754 36.590 -14.119 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.719 33.045 -12.452 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.757 37.193 -12.784 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.242 35.424 -11.952 1.00 0.00 H new ATOM 568 N VAL A 66 14.241 34.789 -17.955 1.00 0.00 N ATOM 569 CA VAL A 66 14.321 35.696 -19.096 1.00 0.00 C ATOM 570 C VAL A 66 13.356 36.866 -18.923 1.00 0.00 C ATOM 571 O VAL A 66 12.212 36.680 -18.510 1.00 0.00 O ATOM 572 CB VAL A 66 14.000 34.940 -20.387 1.00 0.00 C ATOM 573 CG1 VAL A 66 12.495 34.672 -20.472 1.00 0.00 C ATOM 574 CG2 VAL A 66 14.433 35.775 -21.594 1.00 0.00 C ATOM 0 H VAL A 66 13.291 34.553 -17.667 1.00 0.00 H new ATOM 0 HA VAL A 66 15.335 36.091 -19.154 1.00 0.00 H new ATOM 0 HB VAL A 66 14.538 33.992 -20.386 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.273 34.134 -21.393 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.183 34.072 -19.617 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.956 35.619 -20.466 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.203 35.234 -22.512 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.899 36.725 -21.589 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.506 35.961 -21.542 1.00 0.00 H new ATOM 584 N ARG A 67 13.820 38.063 -19.250 1.00 0.00 N ATOM 585 CA ARG A 67 12.980 39.248 -19.133 1.00 0.00 C ATOM 586 C ARG A 67 12.291 39.290 -17.774 1.00 0.00 C ATOM 587 O ARG A 67 11.253 39.933 -17.617 1.00 0.00 O ATOM 588 CB ARG A 67 11.928 39.255 -20.248 1.00 0.00 C ATOM 589 CG ARG A 67 12.595 39.603 -21.580 1.00 0.00 C ATOM 590 CD ARG A 67 11.573 39.484 -22.711 1.00 0.00 C ATOM 591 NE ARG A 67 10.497 40.450 -22.524 1.00 0.00 N ATOM 592 CZ ARG A 67 9.469 40.504 -23.364 1.00 0.00 C ATOM 593 NH1 ARG A 67 9.412 39.688 -24.381 1.00 0.00 N ATOM 594 NH2 ARG A 67 8.514 41.375 -23.175 1.00 0.00 N1+ ATOM 0 H ARG A 67 14.763 38.240 -19.595 1.00 0.00 H new ATOM 0 HA ARG A 67 13.614 40.130 -19.228 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.447 38.279 -20.314 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.147 39.980 -20.020 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.996 40.616 -21.544 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.435 38.934 -21.763 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.061 39.654 -23.671 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.164 38.474 -22.736 1.00 0.00 H new ATOM 0 HE ARG A 67 10.534 41.095 -21.735 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.157 39.008 -24.532 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.622 39.730 -25.025 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.557 42.015 -22.382 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.725 41.415 -23.821 1.00 0.00 H new ATOM 608 N GLY A 68 12.877 38.611 -16.794 1.00 0.00 N ATOM 609 CA GLY A 68 12.316 38.592 -15.455 1.00 0.00 C ATOM 610 C GLY A 68 11.160 37.604 -15.359 1.00 0.00 C ATOM 611 O GLY A 68 10.272 37.757 -14.522 1.00 0.00 O ATOM 0 H GLY A 68 13.735 38.071 -16.904 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.090 38.322 -14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.969 39.590 -15.189 1.00 0.00 H new ATOM 615 N ARG A 69 11.175 36.593 -16.225 1.00 0.00 N ATOM 616 CA ARG A 69 10.117 35.579 -16.239 1.00 0.00 C ATOM 617 C ARG A 69 10.714 34.183 -16.154 1.00 0.00 C ATOM 618 O ARG A 69 11.824 33.940 -16.620 1.00 0.00 O ATOM 619 CB ARG A 69 9.299 35.711 -17.526 1.00 0.00 C ATOM 620 CG ARG A 69 8.684 37.117 -17.616 1.00 0.00 C ATOM 621 CD ARG A 69 7.454 37.215 -16.708 1.00 0.00 C ATOM 622 NE ARG A 69 6.774 38.484 -16.913 1.00 0.00 N ATOM 623 CZ ARG A 69 5.877 38.924 -16.041 1.00 0.00 C ATOM 624 NH1 ARG A 69 5.597 38.218 -14.978 1.00 0.00 N ATOM 625 NH2 ARG A 69 5.277 40.064 -16.245 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.904 36.452 -16.924 1.00 0.00 H new ATOM 0 HA ARG A 69 9.471 35.735 -15.375 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.935 35.527 -18.392 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.511 34.958 -17.545 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.422 37.864 -17.323 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.403 37.334 -18.647 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.772 36.391 -16.918 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.755 37.121 -15.665 1.00 0.00 H new ATOM 0 HE ARG A 69 6.990 39.043 -17.738 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.068 37.328 -14.818 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.907 38.557 -14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.498 40.615 -17.074 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.587 40.404 -15.575 1.00 0.00 H new ATOM 639 N THR A 70 9.964 33.269 -15.545 1.00 0.00 N ATOM 640 CA THR A 70 10.424 31.898 -15.393 1.00 0.00 C ATOM 641 C THR A 70 10.187 31.114 -16.677 1.00 0.00 C ATOM 642 O THR A 70 9.062 31.042 -17.173 1.00 0.00 O ATOM 643 CB THR A 70 9.678 31.220 -14.242 1.00 0.00 C ATOM 644 OG1 THR A 70 9.719 32.049 -13.092 1.00 0.00 O ATOM 645 CG2 THR A 70 10.340 29.878 -13.927 1.00 0.00 C ATOM 0 H THR A 70 9.041 33.454 -15.152 1.00 0.00 H new ATOM 0 HA THR A 70 11.492 31.915 -15.176 1.00 0.00 H new ATOM 0 HB THR A 70 8.640 31.056 -14.531 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.239 31.613 -12.357 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.809 29.394 -13.107 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.305 29.239 -14.809 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.378 30.043 -13.640 1.00 0.00 H new ATOM 653 N VAL A 71 11.254 30.525 -17.212 1.00 0.00 N ATOM 654 CA VAL A 71 11.160 29.739 -18.444 1.00 0.00 C ATOM 655 C VAL A 71 11.942 28.436 -18.307 1.00 0.00 C ATOM 656 O VAL A 71 13.048 28.412 -17.776 1.00 0.00 O ATOM 657 CB VAL A 71 11.698 30.551 -19.624 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.732 31.695 -19.945 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.064 31.137 -19.262 1.00 0.00 C ATOM 0 H VAL A 71 12.192 30.576 -16.815 1.00 0.00 H new ATOM 0 HA VAL A 71 10.112 29.498 -18.624 1.00 0.00 H new ATOM 0 HB VAL A 71 11.795 29.899 -20.492 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.118 32.272 -20.786 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.756 31.285 -20.203 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.634 32.344 -19.075 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.446 31.715 -20.103 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.963 31.786 -18.392 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.758 30.328 -19.033 1.00 0.00 H new ATOM 669 N SER A 72 11.350 27.355 -18.790 1.00 0.00 N ATOM 670 CA SER A 72 11.993 26.047 -18.720 1.00 0.00 C ATOM 671 C SER A 72 13.120 25.945 -19.744 1.00 0.00 C ATOM 672 O SER A 72 13.063 26.564 -20.807 1.00 0.00 O ATOM 673 CB SER A 72 10.975 24.941 -18.969 1.00 0.00 C ATOM 674 OG SER A 72 11.553 23.689 -18.627 1.00 0.00 O ATOM 0 H SER A 72 10.431 27.354 -19.233 1.00 0.00 H new ATOM 0 HA SER A 72 12.412 25.930 -17.721 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.078 25.115 -18.375 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.669 24.940 -20.015 1.00 0.00 H new ATOM 0 HG SER A 72 10.901 22.974 -18.784 1.00 0.00 H new ATOM 680 N VAL A 73 14.144 25.159 -19.422 1.00 0.00 N ATOM 681 CA VAL A 73 15.271 24.989 -20.327 1.00 0.00 C ATOM 682 C VAL A 73 14.905 24.021 -21.452 1.00 0.00 C ATOM 683 O VAL A 73 14.378 22.937 -21.204 1.00 0.00 O ATOM 684 CB VAL A 73 16.479 24.449 -19.561 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.614 24.129 -20.539 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.958 25.502 -18.559 1.00 0.00 C ATOM 0 H VAL A 73 14.215 24.635 -18.549 1.00 0.00 H new ATOM 0 HA VAL A 73 15.520 25.958 -20.758 1.00 0.00 H new ATOM 0 HB VAL A 73 16.191 23.540 -19.032 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.472 23.745 -19.987 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.277 23.379 -21.255 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.902 25.035 -21.072 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.819 25.119 -18.012 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.241 26.409 -19.092 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.155 25.729 -17.858 1.00 0.00 H new ATOM 696 N SER A 74 15.183 24.423 -22.686 1.00 0.00 N ATOM 697 CA SER A 74 14.880 23.586 -23.841 1.00 0.00 C ATOM 698 C SER A 74 15.778 22.356 -23.881 1.00 0.00 C ATOM 699 O SER A 74 15.354 21.282 -24.309 1.00 0.00 O ATOM 700 CB SER A 74 15.062 24.388 -25.128 1.00 0.00 C ATOM 701 OG SER A 74 16.390 24.897 -25.180 1.00 0.00 O ATOM 0 H SER A 74 15.615 25.319 -22.913 1.00 0.00 H new ATOM 0 HA SER A 74 13.845 23.256 -23.754 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.868 23.756 -25.995 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.344 25.208 -25.164 1.00 0.00 H new ATOM 0 HG SER A 74 16.511 25.411 -26.006 1.00 0.00 H new ATOM 707 N ASP A 75 17.025 22.519 -23.446 1.00 0.00 N ATOM 708 CA ASP A 75 17.985 21.414 -23.449 1.00 0.00 C ATOM 709 C ASP A 75 18.756 21.360 -22.132 1.00 0.00 C ATOM 710 O ASP A 75 19.926 21.742 -22.071 1.00 0.00 O ATOM 711 CB ASP A 75 18.964 21.588 -24.607 1.00 0.00 C ATOM 712 CG ASP A 75 19.804 20.327 -24.765 1.00 0.00 C ATOM 713 OD1 ASP A 75 19.924 19.593 -23.797 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 20.316 20.112 -25.850 1.00 0.00 O ATOM 0 H ASP A 75 17.395 23.400 -23.088 1.00 0.00 H new ATOM 0 HA ASP A 75 17.435 20.480 -23.568 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.419 21.791 -25.529 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.610 22.446 -24.423 1.00 0.00 H new ATOM 719 N PRO A 76 18.123 20.895 -21.085 1.00 0.00 N ATOM 720 CA PRO A 76 18.758 20.784 -19.746 1.00 0.00 C ATOM 721 C PRO A 76 19.627 19.541 -19.630 1.00 0.00 C ATOM 722 O PRO A 76 19.288 18.484 -20.160 1.00 0.00 O ATOM 723 CB PRO A 76 17.564 20.710 -18.788 1.00 0.00 C ATOM 724 CG PRO A 76 16.444 20.104 -19.590 1.00 0.00 C ATOM 725 CD PRO A 76 16.727 20.419 -21.070 1.00 0.00 C ATOM 0 HA PRO A 76 19.428 21.618 -19.535 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.798 20.099 -17.916 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.293 21.700 -18.421 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.393 19.027 -19.428 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.483 20.518 -19.285 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.602 19.535 -21.695 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.044 21.178 -21.452 1.00 0.00 H new ATOM 733 N LYS A 77 20.748 19.673 -18.927 1.00 0.00 N ATOM 734 CA LYS A 77 21.663 18.551 -18.734 1.00 0.00 C ATOM 735 C LYS A 77 21.997 18.384 -17.260 1.00 0.00 C ATOM 736 O LYS A 77 22.839 19.098 -16.718 1.00 0.00 O ATOM 737 CB LYS A 77 22.947 18.784 -19.521 1.00 0.00 C ATOM 738 CG LYS A 77 22.650 18.697 -21.020 1.00 0.00 C ATOM 739 CD LYS A 77 23.907 19.060 -21.818 1.00 0.00 C ATOM 740 CE LYS A 77 24.989 17.994 -21.604 1.00 0.00 C ATOM 741 NZ LYS A 77 26.006 18.095 -22.682 1.00 0.00 N1+ ATOM 0 H LYS A 77 21.045 20.542 -18.483 1.00 0.00 H new ATOM 0 HA LYS A 77 21.176 17.644 -19.093 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.363 19.762 -19.278 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.696 18.042 -19.244 1.00 0.00 H new ATOM 0 HG2 LYS A 77 22.322 17.690 -21.278 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.835 19.373 -21.279 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.665 19.137 -22.878 1.00 0.00 H new ATOM 0 HD3 LYS A 77 24.278 20.035 -21.504 1.00 0.00 H new ATOM 0 HE2 LYS A 77 25.461 18.130 -20.631 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.541 17.001 -21.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.739 17.372 -22.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.550 17.945 -23.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.442 19.039 -22.661 1.00 0.00 H new ATOM 755 N VAL A 78 21.340 17.422 -16.618 1.00 0.00 N ATOM 756 CA VAL A 78 21.581 17.148 -15.204 1.00 0.00 C ATOM 757 C VAL A 78 21.533 15.651 -14.932 1.00 0.00 C ATOM 758 O VAL A 78 20.901 14.898 -15.670 1.00 0.00 O ATOM 759 CB VAL A 78 20.543 17.868 -14.344 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.422 19.330 -14.794 1.00 0.00 C ATOM 761 CG2 VAL A 78 19.178 17.183 -14.499 1.00 0.00 C ATOM 0 H VAL A 78 20.639 16.821 -17.052 1.00 0.00 H new ATOM 0 HA VAL A 78 22.574 17.516 -14.947 1.00 0.00 H new ATOM 0 HB VAL A 78 20.858 17.829 -13.301 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.681 19.840 -14.178 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.387 19.825 -14.685 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.112 19.365 -15.838 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.440 17.699 -13.884 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.869 17.219 -15.544 1.00 0.00 H new ATOM 0 HG23 VAL A 78 19.254 16.144 -14.179 1.00 0.00 H new ATOM 771 N ILE A 79 22.190 15.225 -13.857 1.00 0.00 N ATOM 772 CA ILE A 79 22.205 13.808 -13.491 1.00 0.00 C ATOM 773 C ILE A 79 21.283 13.540 -12.308 1.00 0.00 C ATOM 774 O ILE A 79 21.476 14.085 -11.220 1.00 0.00 O ATOM 775 CB ILE A 79 23.627 13.380 -13.126 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.540 13.567 -14.342 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.629 11.909 -12.706 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.987 13.297 -13.934 1.00 0.00 C ATOM 0 H ILE A 79 22.715 15.832 -13.228 1.00 0.00 H new ATOM 0 HA ILE A 79 21.853 13.234 -14.348 1.00 0.00 H new ATOM 0 HB ILE A 79 23.990 13.991 -12.299 1.00 0.00 H new ATOM 0 HG12 ILE A 79 24.243 12.888 -15.142 1.00 0.00 H new ATOM 0 HG13 ILE A 79 24.443 14.580 -14.731 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.643 11.606 -12.446 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.978 11.777 -11.842 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.267 11.295 -13.530 1.00 0.00 H new ATOM 0 HD11 ILE A 79 26.639 13.429 -14.797 1.00 0.00 H new ATOM 0 HD12 ILE A 79 26.279 13.993 -13.148 1.00 0.00 H new ATOM 0 HD13 ILE A 79 26.076 12.275 -13.565 1.00 0.00 H new ATOM 790 N CYS A 80 20.278 12.701 -12.530 1.00 0.00 N ATOM 791 CA CYS A 80 19.331 12.363 -11.476 1.00 0.00 C ATOM 792 C CYS A 80 20.070 11.939 -10.211 1.00 0.00 C ATOM 793 O CYS A 80 21.273 11.687 -10.240 1.00 0.00 O ATOM 794 CB CYS A 80 18.409 11.229 -11.942 1.00 0.00 C ATOM 795 SG CYS A 80 19.295 9.650 -11.881 1.00 0.00 S ATOM 0 H CYS A 80 20.099 12.245 -13.425 1.00 0.00 H new ATOM 0 HA CYS A 80 18.731 13.246 -11.254 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.524 11.184 -11.307 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.064 11.423 -12.957 1.00 0.00 H new ATOM 800 N ARG A 81 19.342 11.865 -9.103 1.00 0.00 N ATOM 801 CA ARG A 81 19.936 11.470 -7.833 1.00 0.00 C ATOM 802 C ARG A 81 20.163 9.963 -7.788 1.00 0.00 C ATOM 803 O ARG A 81 20.956 9.466 -6.988 1.00 0.00 O ATOM 804 CB ARG A 81 19.022 11.877 -6.679 1.00 0.00 C ATOM 805 CG ARG A 81 18.906 13.401 -6.633 1.00 0.00 C ATOM 806 CD ARG A 81 17.898 13.803 -5.555 1.00 0.00 C ATOM 807 NE ARG A 81 18.472 13.618 -4.227 1.00 0.00 N ATOM 808 CZ ARG A 81 17.757 13.854 -3.132 1.00 0.00 C ATOM 809 NH1 ARG A 81 16.520 14.260 -3.233 1.00 0.00 N ATOM 810 NH2 ARG A 81 18.293 13.684 -1.955 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.344 12.072 -9.059 1.00 0.00 H new ATOM 0 HA ARG A 81 20.897 11.975 -7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.036 11.430 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.421 11.503 -5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.879 13.844 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.588 13.782 -7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.607 14.845 -5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.993 13.204 -5.653 1.00 0.00 H new ATOM 0 HE ARG A 81 19.438 13.302 -4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.101 14.396 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.972 14.441 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 81 19.260 13.370 -1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.745 13.865 -1.114 1.00 0.00 H new ATOM 824 N THR A 82 19.463 9.240 -8.654 1.00 0.00 N ATOM 825 CA THR A 82 19.599 7.787 -8.711 1.00 0.00 C ATOM 826 C THR A 82 20.900 7.383 -9.400 1.00 0.00 C ATOM 827 O THR A 82 21.429 6.298 -9.157 1.00 0.00 O ATOM 828 CB THR A 82 18.413 7.181 -9.465 1.00 0.00 C ATOM 829 OG1 THR A 82 17.202 7.679 -8.915 1.00 0.00 O ATOM 830 CG2 THR A 82 18.448 5.658 -9.340 1.00 0.00 C ATOM 0 H THR A 82 18.799 9.631 -9.323 1.00 0.00 H new ATOM 0 HA THR A 82 19.617 7.409 -7.689 1.00 0.00 H new ATOM 0 HB THR A 82 18.473 7.455 -10.518 1.00 0.00 H new ATOM 0 HG1 THR A 82 16.910 8.463 -9.424 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.602 5.229 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.378 5.279 -9.765 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.389 5.378 -8.288 1.00 0.00 H new ATOM 838 N CYS A 83 21.409 8.256 -10.268 1.00 0.00 N ATOM 839 CA CYS A 83 22.644 7.970 -10.990 1.00 0.00 C ATOM 840 C CYS A 83 23.853 8.327 -10.136 1.00 0.00 C ATOM 841 O CYS A 83 24.992 8.044 -10.510 1.00 0.00 O ATOM 842 CB CYS A 83 22.666 8.773 -12.300 1.00 0.00 C ATOM 843 SG CYS A 83 21.829 7.834 -13.600 1.00 0.00 S ATOM 0 H CYS A 83 20.988 9.159 -10.486 1.00 0.00 H new ATOM 0 HA CYS A 83 22.687 6.905 -11.217 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.173 9.735 -12.157 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.695 8.982 -12.593 1.00 0.00 H new ATOM 848 N GLN A 84 23.603 8.958 -8.996 1.00 0.00 N ATOM 849 CA GLN A 84 24.685 9.357 -8.112 1.00 0.00 C ATOM 850 C GLN A 84 25.686 8.213 -7.936 1.00 0.00 C ATOM 851 O GLN A 84 25.319 7.040 -8.022 1.00 0.00 O ATOM 852 CB GLN A 84 24.119 9.771 -6.743 1.00 0.00 C ATOM 853 CG GLN A 84 23.698 11.241 -6.783 1.00 0.00 C ATOM 854 CD GLN A 84 22.819 11.561 -5.584 1.00 0.00 C ATOM 855 OE1 GLN A 84 21.972 10.755 -5.200 1.00 0.00 O ATOM 856 NE2 GLN A 84 22.970 12.699 -4.965 1.00 0.00 N ATOM 0 H GLN A 84 22.669 9.202 -8.666 1.00 0.00 H new ATOM 0 HA GLN A 84 25.202 10.206 -8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 84 23.264 9.145 -6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 84 24.869 9.618 -5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 84 24.580 11.881 -6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 84 23.158 11.448 -7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 84 23.673 13.365 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.385 12.923 -4.160 1.00 0.00 H new ATOM 865 N PRO A 85 26.930 8.534 -7.686 1.00 0.00 N ATOM 866 CA PRO A 85 27.999 7.510 -7.492 1.00 0.00 C ATOM 867 C PRO A 85 27.806 6.718 -6.205 1.00 0.00 C ATOM 868 O PRO A 85 28.097 7.214 -5.119 1.00 0.00 O ATOM 869 CB PRO A 85 29.294 8.342 -7.438 1.00 0.00 C ATOM 870 CG PRO A 85 28.861 9.708 -7.000 1.00 0.00 C ATOM 871 CD PRO A 85 27.458 9.905 -7.562 1.00 0.00 C ATOM 0 HA PRO A 85 28.001 6.763 -8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 85 30.010 7.912 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 85 29.782 8.376 -8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 85 28.860 9.787 -5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 85 29.542 10.472 -7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 85 26.843 10.511 -6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 85 27.481 10.413 -8.526 1.00 0.00 H new ATOM 879 N LYS A 86 27.331 5.483 -6.340 1.00 0.00 N ATOM 880 CA LYS A 86 27.116 4.620 -5.183 1.00 0.00 C ATOM 881 C LYS A 86 26.523 5.408 -4.019 1.00 0.00 C ATOM 882 O LYS A 86 27.239 6.081 -3.280 1.00 0.00 O ATOM 883 CB LYS A 86 28.442 3.992 -4.752 1.00 0.00 C ATOM 884 CG LYS A 86 28.181 2.943 -3.668 1.00 0.00 C ATOM 885 CD LYS A 86 29.490 2.230 -3.322 1.00 0.00 C ATOM 886 CE LYS A 86 29.224 1.163 -2.258 1.00 0.00 C ATOM 887 NZ LYS A 86 30.487 0.427 -1.968 1.00 0.00 N1+ ATOM 0 H LYS A 86 27.089 5.059 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 86 26.413 3.837 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 86 28.934 3.531 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 86 29.115 4.761 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 86 27.768 3.419 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 86 27.442 2.221 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 86 29.913 1.771 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 86 30.223 2.949 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 86 28.844 1.628 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 86 28.458 0.470 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 30.308 -0.299 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 30.831 -0.028 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 31.205 1.094 -1.619 1.00 0.00 H new ATOM 901 N GLN A 87 25.208 5.320 -3.857 1.00 0.00 N ATOM 902 CA GLN A 87 24.532 6.031 -2.776 1.00 0.00 C ATOM 903 C GLN A 87 23.386 5.195 -2.231 1.00 0.00 C ATOM 904 O GLN A 87 22.325 5.103 -2.848 1.00 0.00 O ATOM 905 CB GLN A 87 23.988 7.365 -3.293 1.00 0.00 C ATOM 906 CG GLN A 87 23.368 8.145 -2.132 1.00 0.00 C ATOM 907 CD GLN A 87 23.006 9.554 -2.587 1.00 0.00 C ATOM 908 OE1 GLN A 87 23.558 10.053 -3.567 1.00 0.00 O ATOM 909 NE2 GLN A 87 22.101 10.228 -1.931 1.00 0.00 N ATOM 0 H GLN A 87 24.592 4.769 -4.454 1.00 0.00 H new ATOM 0 HA GLN A 87 25.250 6.215 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 87 24.790 7.946 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 87 23.242 7.190 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 87 22.478 7.630 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 87 24.069 8.192 -1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 87 21.645 9.812 -1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 87 21.850 11.170 -2.230 1.00 0.00 H new ATOM 918 N HIS A 88 23.605 4.586 -1.068 1.00 0.00 N ATOM 919 CA HIS A 88 22.582 3.750 -0.435 1.00 0.00 C ATOM 920 C HIS A 88 22.316 4.229 0.984 1.00 0.00 C ATOM 921 O HIS A 88 23.213 4.738 1.658 1.00 0.00 O ATOM 922 CB HIS A 88 23.042 2.293 -0.402 1.00 0.00 C ATOM 923 CG HIS A 88 23.211 1.793 -1.811 1.00 0.00 C ATOM 924 ND1 HIS A 88 24.402 1.930 -2.506 1.00 0.00 N ATOM 925 CD2 HIS A 88 22.347 1.154 -2.668 1.00 0.00 C ATOM 926 CE1 HIS A 88 24.226 1.385 -3.725 1.00 0.00 C ATOM 927 NE2 HIS A 88 22.992 0.899 -3.875 1.00 0.00 N ATOM 0 H HIS A 88 24.478 4.654 -0.544 1.00 0.00 H new ATOM 0 HA HIS A 88 21.663 3.826 -1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.983 2.209 0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.312 1.681 0.128 1.00 0.00 H new ATOM 0 HD2 HIS A 88 21.325 0.890 -2.440 1.00 0.00 H new ATOM 0 HE1 HIS A 88 24.990 1.346 -4.488 1.00 0.00 H new ATOM 0 HE2 HIS A 88 22.604 0.439 -4.699 1.00 0.00 H new ATOM 935 N ASP A 89 21.074 4.068 1.435 1.00 0.00 N ATOM 936 CA ASP A 89 20.686 4.487 2.780 1.00 0.00 C ATOM 937 C ASP A 89 19.911 3.379 3.483 1.00 0.00 C ATOM 938 O ASP A 89 19.193 3.630 4.447 1.00 0.00 O ATOM 939 CB ASP A 89 19.826 5.747 2.707 1.00 0.00 C ATOM 940 CG ASP A 89 19.668 6.351 4.100 1.00 0.00 C ATOM 941 OD1 ASP A 89 20.473 6.029 4.958 1.00 0.00 O ATOM 942 OD2 ASP A 89 18.745 7.125 4.287 1.00 0.00 O1- ATOM 0 H ASP A 89 20.320 3.651 0.890 1.00 0.00 H new ATOM 0 HA ASP A 89 21.591 4.699 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.286 6.473 2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.847 5.506 2.293 1.00 0.00 H new ATOM 947 N SER A 90 20.064 2.152 2.993 1.00 0.00 N ATOM 948 CA SER A 90 19.369 1.014 3.582 1.00 0.00 C ATOM 949 C SER A 90 19.719 0.885 5.059 1.00 0.00 C ATOM 950 O SER A 90 20.616 1.567 5.555 1.00 0.00 O ATOM 951 CB SER A 90 19.759 -0.270 2.848 1.00 0.00 C ATOM 952 OG SER A 90 19.431 -1.393 3.656 1.00 0.00 O ATOM 0 H SER A 90 20.658 1.922 2.196 1.00 0.00 H new ATOM 0 HA SER A 90 18.295 1.174 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.236 -0.330 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 90 20.826 -0.266 2.627 1.00 0.00 H new ATOM 0 HG SER A 90 18.472 -1.383 3.857 1.00 0.00 H new ATOM 958 N ILE A 91 19.002 0.009 5.759 1.00 0.00 N ATOM 959 CA ILE A 91 19.234 -0.207 7.189 1.00 0.00 C ATOM 960 C ILE A 91 19.373 -1.693 7.480 1.00 0.00 C ATOM 961 O ILE A 91 18.570 -2.506 7.022 1.00 0.00 O ATOM 962 CB ILE A 91 18.076 0.384 7.997 1.00 0.00 C ATOM 963 CG1 ILE A 91 18.045 1.903 7.790 1.00 0.00 C ATOM 964 CG2 ILE A 91 18.275 0.077 9.486 1.00 0.00 C ATOM 965 CD1 ILE A 91 16.695 2.442 8.239 1.00 0.00 C ATOM 0 H ILE A 91 18.256 -0.563 5.362 1.00 0.00 H new ATOM 0 HA ILE A 91 20.159 0.292 7.478 1.00 0.00 H new ATOM 0 HB ILE A 91 17.136 -0.055 7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.846 2.376 8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 91 18.215 2.142 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.449 0.499 10.058 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.305 -1.002 9.634 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.213 0.516 9.826 1.00 0.00 H new ATOM 0 HD11 ILE A 91 16.668 3.522 8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 91 15.904 1.977 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 91 16.545 2.214 9.294 1.00 0.00 H new ATOM 977 N TRP A 92 20.402 -2.044 8.244 1.00 0.00 N ATOM 978 CA TRP A 92 20.647 -3.441 8.588 1.00 0.00 C ATOM 979 C TRP A 92 19.883 -3.836 9.847 1.00 0.00 C ATOM 980 O TRP A 92 20.114 -3.290 10.927 1.00 0.00 O ATOM 981 CB TRP A 92 22.142 -3.666 8.813 1.00 0.00 C ATOM 982 CG TRP A 92 22.399 -5.124 9.041 1.00 0.00 C ATOM 983 CD1 TRP A 92 22.171 -5.780 10.199 1.00 0.00 C ATOM 984 CD2 TRP A 92 22.927 -6.111 8.110 1.00 0.00 C ATOM 985 NE1 TRP A 92 22.535 -7.103 10.049 1.00 0.00 N ATOM 986 CE2 TRP A 92 23.002 -7.361 8.775 1.00 0.00 C ATOM 987 CE3 TRP A 92 23.345 -6.047 6.771 1.00 0.00 C ATOM 988 CZ2 TRP A 92 23.471 -8.504 8.129 1.00 0.00 C ATOM 989 CZ3 TRP A 92 23.820 -7.197 6.118 1.00 0.00 C ATOM 990 CH2 TRP A 92 23.882 -8.422 6.796 1.00 0.00 C ATOM 0 H TRP A 92 21.076 -1.386 8.635 1.00 0.00 H new ATOM 0 HA TRP A 92 20.300 -4.060 7.760 1.00 0.00 H new ATOM 0 HB2 TRP A 92 22.707 -3.317 7.949 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.483 -3.087 9.672 1.00 0.00 H new ATOM 0 HD1 TRP A 92 21.768 -5.340 11.099 1.00 0.00 H new ATOM 0 HE1 TRP A 92 22.467 -7.803 10.787 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.301 -5.108 6.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 23.516 -9.446 8.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 24.139 -7.137 5.088 1.00 0.00 H new ATOM 0 HH2 TRP A 92 24.247 -9.302 6.288 1.00 0.00 H new ATOM 1001 N CYS A 93 18.980 -4.798 9.700 1.00 0.00 N ATOM 1002 CA CYS A 93 18.198 -5.278 10.834 1.00 0.00 C ATOM 1003 C CYS A 93 19.021 -6.290 11.616 1.00 0.00 C ATOM 1004 O CYS A 93 19.632 -7.186 11.032 1.00 0.00 O ATOM 1005 CB CYS A 93 16.903 -5.925 10.344 1.00 0.00 C ATOM 1006 SG CYS A 93 16.081 -6.768 11.717 1.00 0.00 S ATOM 0 H CYS A 93 18.772 -5.259 8.814 1.00 0.00 H new ATOM 0 HA CYS A 93 17.944 -4.438 11.480 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.243 -5.166 9.924 1.00 0.00 H new ATOM 0 HB3 CYS A 93 17.120 -6.636 9.547 1.00 0.00 H new ATOM 1011 N THR A 94 19.047 -6.143 12.936 1.00 0.00 N ATOM 1012 CA THR A 94 19.815 -7.056 13.779 1.00 0.00 C ATOM 1013 C THR A 94 18.967 -8.257 14.179 1.00 0.00 C ATOM 1014 O THR A 94 19.493 -9.277 14.624 1.00 0.00 O ATOM 1015 CB THR A 94 20.295 -6.329 15.035 1.00 0.00 C ATOM 1016 OG1 THR A 94 19.191 -6.106 15.903 1.00 0.00 O ATOM 1017 CG2 THR A 94 20.915 -4.986 14.643 1.00 0.00 C ATOM 0 H THR A 94 18.552 -5.409 13.442 1.00 0.00 H new ATOM 0 HA THR A 94 20.676 -7.406 13.210 1.00 0.00 H new ATOM 0 HB THR A 94 21.042 -6.938 15.544 1.00 0.00 H new ATOM 0 HG1 THR A 94 19.498 -5.641 16.710 1.00 0.00 H new ATOM 0 HG21 THR A 94 21.257 -4.468 15.539 1.00 0.00 H new ATOM 0 HG22 THR A 94 21.761 -5.156 13.977 1.00 0.00 H new ATOM 0 HG23 THR A 94 20.169 -4.376 14.134 1.00 0.00 H new ATOM 1025 N ALA A 95 17.648 -8.134 14.018 1.00 0.00 N ATOM 1026 CA ALA A 95 16.745 -9.220 14.371 1.00 0.00 C ATOM 1027 C ALA A 95 16.599 -10.191 13.207 1.00 0.00 C ATOM 1028 O ALA A 95 16.065 -11.286 13.370 1.00 0.00 O ATOM 1029 CB ALA A 95 15.375 -8.645 14.740 1.00 0.00 C ATOM 0 H ALA A 95 17.189 -7.301 13.649 1.00 0.00 H new ATOM 0 HA ALA A 95 17.158 -9.759 15.224 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.699 -9.458 15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 95 15.481 -7.970 15.589 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.969 -8.097 13.889 1.00 0.00 H new ATOM 1035 N CYS A 96 17.082 -9.788 12.030 1.00 0.00 N ATOM 1036 CA CYS A 96 17.002 -10.637 10.839 1.00 0.00 C ATOM 1037 C CYS A 96 18.396 -11.029 10.375 1.00 0.00 C ATOM 1038 O CYS A 96 18.600 -12.137 9.886 1.00 0.00 O ATOM 1039 CB CYS A 96 16.286 -9.897 9.710 1.00 0.00 C ATOM 1040 SG CYS A 96 14.522 -9.785 10.078 1.00 0.00 S ATOM 0 H CYS A 96 17.530 -8.885 11.876 1.00 0.00 H new ATOM 0 HA CYS A 96 16.441 -11.536 11.096 1.00 0.00 H new ATOM 0 HB2 CYS A 96 16.707 -8.898 9.593 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.438 -10.420 8.766 1.00 0.00 H new ATOM 1045 N GLN A 97 19.349 -10.111 10.528 1.00 0.00 N ATOM 1046 CA GLN A 97 20.728 -10.369 10.120 1.00 0.00 C ATOM 1047 C GLN A 97 20.878 -10.175 8.618 1.00 0.00 C ATOM 1048 O GLN A 97 21.723 -10.806 7.984 1.00 0.00 O ATOM 1049 CB GLN A 97 21.141 -11.807 10.502 1.00 0.00 C ATOM 1050 CG GLN A 97 22.653 -11.873 10.721 1.00 0.00 C ATOM 1051 CD GLN A 97 23.017 -11.151 12.012 1.00 0.00 C ATOM 1052 OE1 GLN A 97 22.450 -11.437 13.066 1.00 0.00 O ATOM 1053 NE2 GLN A 97 23.928 -10.216 11.991 1.00 0.00 N ATOM 0 H GLN A 97 19.192 -9.187 10.929 1.00 0.00 H new ATOM 0 HA GLN A 97 21.378 -9.664 10.638 1.00 0.00 H new ATOM 0 HB2 GLN A 97 20.620 -12.116 11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 97 20.848 -12.500 9.714 1.00 0.00 H new ATOM 0 HG2 GLN A 97 22.978 -12.912 10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 97 23.172 -11.416 9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 97 24.397 -9.980 11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 97 24.171 -9.721 12.849 1.00 0.00 H new ATOM 1062 N GLN A 98 20.051 -9.297 8.048 1.00 0.00 N ATOM 1063 CA GLN A 98 20.105 -9.029 6.614 1.00 0.00 C ATOM 1064 C GLN A 98 19.872 -7.550 6.342 1.00 0.00 C ATOM 1065 O GLN A 98 19.319 -6.833 7.174 1.00 0.00 O ATOM 1066 CB GLN A 98 19.045 -9.864 5.887 1.00 0.00 C ATOM 1067 CG GLN A 98 19.470 -11.334 5.851 1.00 0.00 C ATOM 1068 CD GLN A 98 20.675 -11.503 4.933 1.00 0.00 C ATOM 1069 OE1 GLN A 98 20.486 -11.733 3.663 1.00 0.00 O flip ATOM 1070 NE2 GLN A 98 21.818 -11.418 5.382 1.00 0.00 N flip ATOM 0 H GLN A 98 19.343 -8.765 8.554 1.00 0.00 H new ATOM 0 HA GLN A 98 21.094 -9.302 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 98 18.084 -9.767 6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 98 18.910 -9.491 4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 98 19.717 -11.675 6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 98 18.644 -11.952 5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 98 21.964 -11.238 6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 98 22.619 -11.527 4.761 1.00 0.00 H new ATOM 1079 N THR A 99 20.308 -7.099 5.172 1.00 0.00 N ATOM 1080 CA THR A 99 20.151 -5.699 4.799 1.00 0.00 C ATOM 1081 C THR A 99 18.727 -5.426 4.341 1.00 0.00 C ATOM 1082 O THR A 99 18.204 -6.117 3.468 1.00 0.00 O ATOM 1083 CB THR A 99 21.118 -5.346 3.667 1.00 0.00 C ATOM 1084 OG1 THR A 99 22.442 -5.679 4.058 1.00 0.00 O ATOM 1085 CG2 THR A 99 21.032 -3.847 3.368 1.00 0.00 C ATOM 0 H THR A 99 20.770 -7.677 4.470 1.00 0.00 H new ATOM 0 HA THR A 99 20.370 -5.086 5.673 1.00 0.00 H new ATOM 0 HB THR A 99 20.851 -5.907 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 99 22.424 -6.120 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 99 21.721 -3.597 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 99 20.015 -3.594 3.068 1.00 0.00 H new ATOM 0 HG23 THR A 99 21.298 -3.282 4.261 1.00 0.00 H new ATOM 1093 N LYS A 100 18.108 -4.405 4.930 1.00 0.00 N ATOM 1094 CA LYS A 100 16.735 -4.027 4.575 1.00 0.00 C ATOM 1095 C LYS A 100 16.681 -2.589 4.080 1.00 0.00 C ATOM 1096 O LYS A 100 17.322 -1.702 4.642 1.00 0.00 O ATOM 1097 CB LYS A 100 15.808 -4.197 5.802 1.00 0.00 C ATOM 1098 CG LYS A 100 14.905 -5.422 5.639 1.00 0.00 C ATOM 1099 CD LYS A 100 15.743 -6.693 5.752 1.00 0.00 C ATOM 1100 CE LYS A 100 14.828 -7.910 5.648 1.00 0.00 C ATOM 1101 NZ LYS A 100 15.643 -9.152 5.745 1.00 0.00 N1+ ATOM 0 H LYS A 100 18.531 -3.824 5.654 1.00 0.00 H new ATOM 0 HA LYS A 100 16.395 -4.681 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 100 16.409 -4.301 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.196 -3.304 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.127 -5.418 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.402 -5.390 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.494 -6.719 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.279 -6.706 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.083 -7.888 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.285 -7.891 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.048 -9.976 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.432 -9.103 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.019 -9.246 6.710 1.00 0.00 H new ATOM 1115 N GLY A 101 15.903 -2.373 3.027 1.00 0.00 N ATOM 1116 CA GLY A 101 15.764 -1.039 2.464 1.00 0.00 C ATOM 1117 C GLY A 101 15.253 -0.061 3.511 1.00 0.00 C ATOM 1118 O GLY A 101 14.592 -0.450 4.474 1.00 0.00 O ATOM 0 H GLY A 101 15.364 -3.097 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 101 16.726 -0.699 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.076 -1.066 1.619 1.00 0.00 H new ATOM 1122 N ILE A 102 15.561 1.208 3.308 1.00 0.00 N ATOM 1123 CA ILE A 102 15.132 2.253 4.234 1.00 0.00 C ATOM 1124 C ILE A 102 13.622 2.449 4.161 1.00 0.00 C ATOM 1125 O ILE A 102 12.971 2.716 5.172 1.00 0.00 O ATOM 1126 CB ILE A 102 15.842 3.567 3.922 1.00 0.00 C ATOM 1127 CG1 ILE A 102 15.374 4.649 4.906 1.00 0.00 C ATOM 1128 CG2 ILE A 102 15.518 3.998 2.494 1.00 0.00 C ATOM 1129 CD1 ILE A 102 16.370 5.809 4.901 1.00 0.00 C ATOM 0 H ILE A 102 16.105 1.544 2.513 1.00 0.00 H new ATOM 0 HA ILE A 102 15.396 1.940 5.244 1.00 0.00 H new ATOM 0 HB ILE A 102 16.919 3.429 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.383 5.006 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 102 15.291 4.232 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.026 4.937 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 102 15.855 3.230 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.442 4.135 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.038 6.577 5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.353 5.446 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.431 6.232 3.898 1.00 0.00 H new ATOM 1141 N ASN A 103 13.074 2.327 2.959 1.00 0.00 N ATOM 1142 CA ASN A 103 11.641 2.505 2.761 1.00 0.00 C ATOM 1143 C ASN A 103 10.860 1.540 3.646 1.00 0.00 C ATOM 1144 O ASN A 103 9.836 1.903 4.224 1.00 0.00 O ATOM 1145 CB ASN A 103 11.287 2.257 1.289 1.00 0.00 C ATOM 1146 CG ASN A 103 11.644 3.477 0.447 1.00 0.00 C ATOM 1147 OD1 ASN A 103 11.337 4.667 0.881 1.00 0.00 O flip ATOM 1148 ND2 ASN A 103 12.218 3.340 -0.634 1.00 0.00 N flip ATOM 0 H ASN A 103 13.596 2.107 2.111 1.00 0.00 H new ATOM 0 HA ASN A 103 11.373 3.526 3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.824 1.383 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 103 10.223 2.040 1.195 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.457 2.407 -0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.455 4.160 -1.193 1.00 0.00 H new ATOM 1155 N GLU A 104 11.350 0.309 3.749 1.00 0.00 N ATOM 1156 CA GLU A 104 10.691 -0.700 4.571 1.00 0.00 C ATOM 1157 C GLU A 104 11.064 -0.530 6.035 1.00 0.00 C ATOM 1158 O GLU A 104 10.920 -1.455 6.832 1.00 0.00 O ATOM 1159 CB GLU A 104 11.091 -2.096 4.104 1.00 0.00 C ATOM 1160 CG GLU A 104 10.511 -2.351 2.712 1.00 0.00 C ATOM 1161 CD GLU A 104 11.022 -3.681 2.170 1.00 0.00 C ATOM 1162 OE1 GLU A 104 11.718 -4.368 2.900 1.00 0.00 O ATOM 1163 OE2 GLU A 104 10.717 -3.990 1.030 1.00 0.00 O1- ATOM 0 H GLU A 104 12.195 -0.013 3.277 1.00 0.00 H new ATOM 0 HA GLU A 104 9.613 -0.575 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.177 -2.186 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.725 -2.845 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.422 -2.362 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.792 -1.542 2.038 1.00 0.00 H new ATOM 1170 N PHE A 105 11.548 0.660 6.387 1.00 0.00 N ATOM 1171 CA PHE A 105 11.948 0.954 7.764 1.00 0.00 C ATOM 1172 C PHE A 105 11.268 2.219 8.268 1.00 0.00 C ATOM 1173 O PHE A 105 10.932 3.109 7.490 1.00 0.00 O ATOM 1174 CB PHE A 105 13.483 1.123 7.838 1.00 0.00 C ATOM 1175 CG PHE A 105 14.102 -0.027 8.593 1.00 0.00 C ATOM 1176 CD1 PHE A 105 14.293 -1.258 7.967 1.00 0.00 C ATOM 1177 CD2 PHE A 105 14.467 0.143 9.932 1.00 0.00 C ATOM 1178 CE1 PHE A 105 14.855 -2.316 8.677 1.00 0.00 C ATOM 1179 CE2 PHE A 105 15.027 -0.918 10.643 1.00 0.00 C ATOM 1180 CZ PHE A 105 15.222 -2.151 10.015 1.00 0.00 C ATOM 0 H PHE A 105 11.673 1.437 5.738 1.00 0.00 H new ATOM 0 HA PHE A 105 11.641 0.121 8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 105 13.899 1.172 6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 105 13.729 2.064 8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 105 14.006 -1.391 6.934 1.00 0.00 H new ATOM 0 HD2 PHE A 105 14.315 1.097 10.416 1.00 0.00 H new ATOM 0 HE1 PHE A 105 15.008 -3.268 8.191 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.309 -0.787 11.677 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.655 -2.975 10.563 1.00 0.00 H new ATOM 1190 N SER A 106 11.077 2.289 9.583 1.00 0.00 N ATOM 1191 CA SER A 106 10.449 3.453 10.196 1.00 0.00 C ATOM 1192 C SER A 106 11.511 4.474 10.596 1.00 0.00 C ATOM 1193 O SER A 106 12.691 4.146 10.726 1.00 0.00 O ATOM 1194 CB SER A 106 9.652 3.025 11.429 1.00 0.00 C ATOM 1195 OG SER A 106 9.615 4.100 12.359 1.00 0.00 O ATOM 0 H SER A 106 11.347 1.557 10.240 1.00 0.00 H new ATOM 0 HA SER A 106 9.773 3.910 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.639 2.742 11.142 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.110 2.148 11.887 1.00 0.00 H new ATOM 0 HG SER A 106 9.104 3.831 13.150 1.00 0.00 H new ATOM 1201 N LYS A 107 11.077 5.711 10.795 1.00 0.00 N ATOM 1202 CA LYS A 107 11.989 6.781 11.190 1.00 0.00 C ATOM 1203 C LYS A 107 12.503 6.561 12.606 1.00 0.00 C ATOM 1204 O LYS A 107 13.680 6.777 12.890 1.00 0.00 O ATOM 1205 CB LYS A 107 11.274 8.129 11.107 1.00 0.00 C ATOM 1206 CG LYS A 107 10.775 8.362 9.677 1.00 0.00 C ATOM 1207 CD LYS A 107 11.963 8.578 8.725 1.00 0.00 C ATOM 1208 CE LYS A 107 11.479 9.249 7.441 1.00 0.00 C ATOM 1209 NZ LYS A 107 11.287 10.704 7.690 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.104 6.000 10.691 1.00 0.00 H new ATOM 0 HA LYS A 107 12.839 6.775 10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.435 8.150 11.803 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.952 8.930 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.186 7.506 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.117 9.231 9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.720 9.197 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.433 7.623 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.205 9.098 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.543 8.798 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.208 11.204 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.418 10.850 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.101 11.076 8.220 1.00 0.00 H new ATOM 1223 N ALA A 108 11.610 6.139 13.492 1.00 0.00 N ATOM 1224 CA ALA A 108 11.982 5.901 14.881 1.00 0.00 C ATOM 1225 C ALA A 108 12.989 4.761 14.984 1.00 0.00 C ATOM 1226 O ALA A 108 13.900 4.797 15.810 1.00 0.00 O ATOM 1227 CB ALA A 108 10.738 5.560 15.704 1.00 0.00 C ATOM 0 H ALA A 108 10.630 5.956 13.276 1.00 0.00 H new ATOM 0 HA ALA A 108 12.441 6.809 15.272 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.025 5.384 16.741 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.033 6.390 15.659 1.00 0.00 H new ATOM 0 HB3 ALA A 108 10.269 4.663 15.300 1.00 0.00 H new ATOM 1233 N GLN A 109 12.815 3.749 14.142 1.00 0.00 N ATOM 1234 CA GLN A 109 13.713 2.602 14.153 1.00 0.00 C ATOM 1235 C GLN A 109 15.156 3.039 13.905 1.00 0.00 C ATOM 1236 O GLN A 109 16.105 2.356 14.283 1.00 0.00 O ATOM 1237 CB GLN A 109 13.286 1.594 13.084 1.00 0.00 C ATOM 1238 CG GLN A 109 11.977 0.923 13.509 1.00 0.00 C ATOM 1239 CD GLN A 109 12.230 -0.047 14.658 1.00 0.00 C ATOM 1240 OE1 GLN A 109 13.445 -0.220 15.101 1.00 0.00 O flip ATOM 1241 NE2 GLN A 109 11.296 -0.665 15.168 1.00 0.00 N flip ATOM 0 H GLN A 109 12.068 3.699 13.450 1.00 0.00 H new ATOM 0 HA GLN A 109 13.658 2.133 15.135 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.155 2.097 12.126 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.064 0.843 12.946 1.00 0.00 H new ATOM 0 HG2 GLN A 109 11.255 1.680 13.815 1.00 0.00 H new ATOM 0 HG3 GLN A 109 11.542 0.391 12.663 1.00 0.00 H new ATOM 0 HE21 GLN A 109 10.346 -0.530 14.822 1.00 0.00 H new ATOM 0 HE22 GLN A 109 11.472 -1.312 15.937 1.00 0.00 H new ATOM 1250 N ARG A 110 15.317 4.182 13.261 1.00 0.00 N ATOM 1251 CA ARG A 110 16.644 4.710 12.974 1.00 0.00 C ATOM 1252 C ARG A 110 17.227 5.390 14.212 1.00 0.00 C ATOM 1253 O ARG A 110 18.443 5.494 14.360 1.00 0.00 O ATOM 1254 CB ARG A 110 16.566 5.718 11.826 1.00 0.00 C ATOM 1255 CG ARG A 110 16.146 4.997 10.547 1.00 0.00 C ATOM 1256 CD ARG A 110 15.933 6.022 9.431 1.00 0.00 C ATOM 1257 NE ARG A 110 17.188 6.692 9.115 1.00 0.00 N ATOM 1258 CZ ARG A 110 17.220 7.737 8.294 1.00 0.00 C ATOM 1259 NH1 ARG A 110 16.115 8.177 7.755 1.00 0.00 N ATOM 1260 NH2 ARG A 110 18.354 8.322 8.025 1.00 0.00 N1+ ATOM 0 H ARG A 110 14.548 4.763 12.927 1.00 0.00 H new ATOM 0 HA ARG A 110 17.292 3.882 12.687 1.00 0.00 H new ATOM 0 HB2 ARG A 110 15.850 6.504 12.065 1.00 0.00 H new ATOM 0 HB3 ARG A 110 17.533 6.200 11.684 1.00 0.00 H new ATOM 0 HG2 ARG A 110 16.911 4.278 10.254 1.00 0.00 H new ATOM 0 HG3 ARG A 110 15.229 4.434 10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 110 15.543 5.526 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 110 15.188 6.756 9.739 1.00 0.00 H new ATOM 0 HE ARG A 110 18.056 6.354 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 110 15.228 7.719 7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 110 16.139 8.979 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 110 19.218 7.978 8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 110 18.377 9.124 7.395 1.00 0.00 H new ATOM 1274 N HIS A 111 16.346 5.864 15.091 1.00 0.00 N ATOM 1275 CA HIS A 111 16.784 6.541 16.308 1.00 0.00 C ATOM 1276 C HIS A 111 17.399 5.553 17.296 1.00 0.00 C ATOM 1277 O HIS A 111 18.401 5.854 17.946 1.00 0.00 O ATOM 1278 CB HIS A 111 15.601 7.253 16.967 1.00 0.00 C ATOM 1279 CG HIS A 111 15.161 8.403 16.103 1.00 0.00 C ATOM 1280 ND1 HIS A 111 14.102 9.226 16.454 1.00 0.00 N ATOM 1281 CD2 HIS A 111 15.621 8.877 14.899 1.00 0.00 C ATOM 1282 CE1 HIS A 111 13.962 10.144 15.479 1.00 0.00 C ATOM 1283 NE2 HIS A 111 14.862 9.976 14.508 1.00 0.00 N ATOM 0 H HIS A 111 15.334 5.793 14.984 1.00 0.00 H new ATOM 0 HA HIS A 111 17.543 7.272 16.031 1.00 0.00 H new ATOM 0 HB2 HIS A 111 14.776 6.555 17.109 1.00 0.00 H new ATOM 0 HB3 HIS A 111 15.886 7.615 17.955 1.00 0.00 H new ATOM 0 HD2 HIS A 111 16.446 8.460 14.341 1.00 0.00 H new ATOM 0 HE1 HIS A 111 13.213 10.922 15.482 1.00 0.00 H new ATOM 0 HE2 HIS A 111 14.970 10.534 13.661 1.00 0.00 H new ATOM 1291 N VAL A 112 16.788 4.378 17.413 1.00 0.00 N ATOM 1292 CA VAL A 112 17.276 3.361 18.332 1.00 0.00 C ATOM 1293 C VAL A 112 18.621 2.820 17.862 1.00 0.00 C ATOM 1294 O VAL A 112 18.921 2.823 16.669 1.00 0.00 O ATOM 1295 CB VAL A 112 16.264 2.218 18.432 1.00 0.00 C ATOM 1296 CG1 VAL A 112 14.957 2.743 19.032 1.00 0.00 C ATOM 1297 CG2 VAL A 112 15.980 1.666 17.038 1.00 0.00 C ATOM 0 H VAL A 112 15.958 4.109 16.885 1.00 0.00 H new ATOM 0 HA VAL A 112 17.405 3.814 19.315 1.00 0.00 H new ATOM 0 HB VAL A 112 16.673 1.431 19.066 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.236 1.928 19.103 1.00 0.00 H new ATOM 0 HG12 VAL A 112 15.149 3.145 20.027 1.00 0.00 H new ATOM 0 HG13 VAL A 112 14.554 3.530 18.394 1.00 0.00 H new ATOM 0 HG21 VAL A 112 15.259 0.852 17.109 1.00 0.00 H new ATOM 0 HG22 VAL A 112 15.572 2.458 16.409 1.00 0.00 H new ATOM 0 HG23 VAL A 112 16.905 1.294 16.599 1.00 0.00 H new ATOM 1307 N LEU A 113 19.424 2.364 18.811 1.00 0.00 N ATOM 1308 CA LEU A 113 20.738 1.825 18.495 1.00 0.00 C ATOM 1309 C LEU A 113 20.615 0.574 17.640 1.00 0.00 C ATOM 1310 O LEU A 113 21.503 0.271 16.843 1.00 0.00 O ATOM 1311 CB LEU A 113 21.492 1.483 19.779 1.00 0.00 C ATOM 1312 CG LEU A 113 21.483 2.695 20.711 1.00 0.00 C ATOM 1313 CD1 LEU A 113 22.194 2.337 22.019 1.00 0.00 C ATOM 1314 CD2 LEU A 113 22.202 3.877 20.038 1.00 0.00 C ATOM 0 H LEU A 113 19.190 2.356 19.804 1.00 0.00 H new ATOM 0 HA LEU A 113 21.288 2.584 17.939 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.026 0.629 20.271 1.00 0.00 H new ATOM 0 HB3 LEU A 113 22.518 1.197 19.546 1.00 0.00 H new ATOM 0 HG LEU A 113 20.452 2.979 20.923 1.00 0.00 H new ATOM 0 HD11 LEU A 113 22.188 3.200 22.684 1.00 0.00 H new ATOM 0 HD12 LEU A 113 21.677 1.506 22.499 1.00 0.00 H new ATOM 0 HD13 LEU A 113 23.224 2.050 21.807 1.00 0.00 H new ATOM 0 HD21 LEU A 113 22.192 4.737 20.707 1.00 0.00 H new ATOM 0 HD22 LEU A 113 23.233 3.599 19.819 1.00 0.00 H new ATOM 0 HD23 LEU A 113 21.691 4.133 19.110 1.00 0.00 H new ATOM 1326 N ASP A 114 19.515 -0.160 17.814 1.00 0.00 N ATOM 1327 CA ASP A 114 19.289 -1.393 17.056 1.00 0.00 C ATOM 1328 C ASP A 114 17.990 -1.300 16.260 1.00 0.00 C ATOM 1329 O ASP A 114 16.935 -1.740 16.721 1.00 0.00 O ATOM 1330 CB ASP A 114 19.217 -2.579 18.013 1.00 0.00 C ATOM 1331 CG ASP A 114 20.609 -2.879 18.564 1.00 0.00 C ATOM 1332 OD1 ASP A 114 21.556 -2.798 17.798 1.00 0.00 O ATOM 1333 OD2 ASP A 114 20.708 -3.178 19.742 1.00 0.00 O1- ATOM 0 H ASP A 114 18.770 0.076 18.469 1.00 0.00 H new ATOM 0 HA ASP A 114 20.118 -1.533 16.362 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.531 -2.358 18.831 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.824 -3.454 17.495 1.00 0.00 H new ATOM 1338 N PRO A 115 18.049 -0.741 15.079 1.00 0.00 N ATOM 1339 CA PRO A 115 16.856 -0.592 14.196 1.00 0.00 C ATOM 1340 C PRO A 115 16.219 -1.937 13.866 1.00 0.00 C ATOM 1341 O PRO A 115 16.909 -2.948 13.740 1.00 0.00 O ATOM 1342 CB PRO A 115 17.420 0.076 12.922 1.00 0.00 C ATOM 1343 CG PRO A 115 18.715 0.696 13.337 1.00 0.00 C ATOM 1344 CD PRO A 115 19.258 -0.179 14.458 1.00 0.00 C ATOM 0 HA PRO A 115 16.066 -0.010 14.671 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.572 -0.656 12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 115 16.731 0.827 12.535 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.413 0.738 12.501 1.00 0.00 H new ATOM 0 HG3 PRO A 115 18.566 1.720 13.679 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.912 -0.962 14.074 1.00 0.00 H new ATOM 0 HD3 PRO A 115 19.842 0.402 15.172 1.00 0.00 H new ATOM 1352 N ARG A 116 14.896 -1.942 13.732 1.00 0.00 N ATOM 1353 CA ARG A 116 14.161 -3.168 13.417 1.00 0.00 C ATOM 1354 C ARG A 116 13.251 -2.952 12.214 1.00 0.00 C ATOM 1355 O ARG A 116 12.636 -1.895 12.068 1.00 0.00 O ATOM 1356 CB ARG A 116 13.322 -3.590 14.624 1.00 0.00 C ATOM 1357 CG ARG A 116 14.247 -3.920 15.798 1.00 0.00 C ATOM 1358 CD ARG A 116 13.411 -4.318 17.014 1.00 0.00 C ATOM 1359 NE ARG A 116 14.277 -4.606 18.151 1.00 0.00 N ATOM 1360 CZ ARG A 116 13.818 -5.251 19.218 1.00 0.00 C ATOM 1361 NH1 ARG A 116 12.572 -5.640 19.260 1.00 0.00 N ATOM 1362 NH2 ARG A 116 14.612 -5.497 20.224 1.00 0.00 N1+ ATOM 0 H ARG A 116 14.310 -1.114 13.836 1.00 0.00 H new ATOM 0 HA ARG A 116 14.879 -3.952 13.177 1.00 0.00 H new ATOM 0 HB2 ARG A 116 12.636 -2.790 14.901 1.00 0.00 H new ATOM 0 HB3 ARG A 116 12.713 -4.458 14.372 1.00 0.00 H new ATOM 0 HG2 ARG A 116 14.921 -4.732 15.526 1.00 0.00 H new ATOM 0 HG3 ARG A 116 14.868 -3.057 16.038 1.00 0.00 H new ATOM 0 HD2 ARG A 116 12.721 -3.514 17.268 1.00 0.00 H new ATOM 0 HD3 ARG A 116 12.807 -5.194 16.777 1.00 0.00 H new ATOM 0 HE ARG A 116 15.252 -4.307 18.127 1.00 0.00 H new ATOM 0 HH11 ARG A 116 11.951 -5.449 18.474 1.00 0.00 H new ATOM 0 HH12 ARG A 116 12.220 -6.135 20.079 1.00 0.00 H new ATOM 0 HH21 ARG A 116 15.585 -5.194 20.191 1.00 0.00 H new ATOM 0 HH22 ARG A 116 14.259 -5.992 21.043 1.00 0.00 H new ATOM 1376 N CYS A 117 13.171 -3.962 11.354 1.00 0.00 N ATOM 1377 CA CYS A 117 12.332 -3.875 10.166 1.00 0.00 C ATOM 1378 C CYS A 117 10.856 -3.927 10.550 1.00 0.00 C ATOM 1379 O CYS A 117 10.486 -4.542 11.549 1.00 0.00 O ATOM 1380 CB CYS A 117 12.658 -5.027 9.213 1.00 0.00 C ATOM 1381 SG CYS A 117 12.304 -6.599 10.028 1.00 0.00 S ATOM 0 H CYS A 117 13.673 -4.844 11.457 1.00 0.00 H new ATOM 0 HA CYS A 117 12.532 -2.926 9.668 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.068 -4.937 8.301 1.00 0.00 H new ATOM 0 HB3 CYS A 117 13.707 -4.985 8.920 1.00 0.00 H new ATOM 1386 N GLN A 118 10.020 -3.269 9.753 1.00 0.00 N ATOM 1387 CA GLN A 118 8.588 -3.241 10.022 1.00 0.00 C ATOM 1388 C GLN A 118 8.055 -4.651 10.237 1.00 0.00 C ATOM 1389 O GLN A 118 6.926 -4.836 10.695 1.00 0.00 O ATOM 1390 CB GLN A 118 7.848 -2.588 8.854 1.00 0.00 C ATOM 1391 CG GLN A 118 8.264 -1.119 8.741 1.00 0.00 C ATOM 1392 CD GLN A 118 7.780 -0.342 9.960 1.00 0.00 C ATOM 1393 OE1 GLN A 118 8.624 0.390 10.635 1.00 0.00 O flip ATOM 1394 NE2 GLN A 118 6.600 -0.403 10.308 1.00 0.00 N flip ATOM 0 H GLN A 118 10.307 -2.752 8.922 1.00 0.00 H new ATOM 0 HA GLN A 118 8.421 -2.659 10.928 1.00 0.00 H new ATOM 0 HB2 GLN A 118 8.076 -3.113 7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.771 -2.661 9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 118 9.349 -1.045 8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 118 7.846 -0.684 7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 118 5.941 -0.975 9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 118 6.281 0.119 11.124 1.00 0.00 H new ATOM 1403 N ILE A 119 8.869 -5.646 9.904 1.00 0.00 N ATOM 1404 CA ILE A 119 8.466 -7.042 10.067 1.00 0.00 C ATOM 1405 C ILE A 119 8.839 -7.555 11.453 1.00 0.00 C ATOM 1406 O ILE A 119 8.064 -8.265 12.092 1.00 0.00 O ATOM 1407 CB ILE A 119 9.144 -7.904 9.002 1.00 0.00 C ATOM 1408 CG1 ILE A 119 9.029 -7.213 7.637 1.00 0.00 C ATOM 1409 CG2 ILE A 119 8.460 -9.270 8.938 1.00 0.00 C ATOM 1410 CD1 ILE A 119 7.571 -6.819 7.369 1.00 0.00 C ATOM 0 H ILE A 119 9.806 -5.516 9.522 1.00 0.00 H new ATOM 0 HA ILE A 119 7.384 -7.103 9.953 1.00 0.00 H new ATOM 0 HB ILE A 119 10.195 -8.036 9.258 1.00 0.00 H new ATOM 0 HG12 ILE A 119 9.664 -6.327 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.384 -7.880 6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.944 -9.884 8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.539 -9.762 9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.408 -9.139 8.683 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.499 -6.329 6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.946 -7.712 7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.230 -6.135 8.146 1.00 0.00 H new ATOM 1422 N CYS A 120 10.037 -7.200 11.907 1.00 0.00 N ATOM 1423 CA CYS A 120 10.513 -7.639 13.214 1.00 0.00 C ATOM 1424 C CYS A 120 9.685 -7.019 14.334 1.00 0.00 C ATOM 1425 O CYS A 120 9.471 -7.639 15.376 1.00 0.00 O ATOM 1426 CB CYS A 120 11.997 -7.262 13.389 1.00 0.00 C ATOM 1427 SG CYS A 120 13.015 -8.578 12.689 1.00 0.00 S ATOM 0 H CYS A 120 10.693 -6.613 11.392 1.00 0.00 H new ATOM 0 HA CYS A 120 10.407 -8.722 13.268 1.00 0.00 H new ATOM 0 HB2 CYS A 120 12.208 -6.316 12.891 1.00 0.00 H new ATOM 0 HB3 CYS A 120 12.230 -7.125 14.445 1.00 0.00 H new ATOM 1432 N VAL A 121 9.223 -5.798 14.111 1.00 0.00 N ATOM 1433 CA VAL A 121 8.422 -5.100 15.109 1.00 0.00 C ATOM 1434 C VAL A 121 7.024 -5.706 15.196 1.00 0.00 C ATOM 1435 O VAL A 121 6.479 -5.883 16.287 1.00 0.00 O ATOM 1436 CB VAL A 121 8.323 -3.616 14.758 1.00 0.00 C ATOM 1437 CG1 VAL A 121 9.726 -3.052 14.519 1.00 0.00 C ATOM 1438 CG2 VAL A 121 7.484 -3.446 13.493 1.00 0.00 C ATOM 0 H VAL A 121 9.387 -5.271 13.253 1.00 0.00 H new ATOM 0 HA VAL A 121 8.909 -5.208 16.078 1.00 0.00 H new ATOM 0 HB VAL A 121 7.852 -3.080 15.582 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.655 -1.994 14.269 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.325 -3.172 15.422 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.198 -3.588 13.696 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.413 -2.387 13.243 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.955 -3.983 12.669 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.484 -3.846 13.663 1.00 0.00 H new ATOM 1448 N HIS A 122 6.450 -6.016 14.040 1.00 0.00 N ATOM 1449 CA HIS A 122 5.111 -6.596 13.988 1.00 0.00 C ATOM 1450 C HIS A 122 5.176 -8.105 14.197 1.00 0.00 C ATOM 1451 O HIS A 122 4.144 -8.770 14.307 1.00 0.00 O ATOM 1452 CB HIS A 122 4.455 -6.292 12.639 1.00 0.00 C ATOM 1453 CG HIS A 122 4.141 -4.822 12.555 1.00 0.00 C ATOM 1454 ND1 HIS A 122 3.609 -4.117 13.623 1.00 0.00 N ATOM 1455 CD2 HIS A 122 4.275 -3.913 11.536 1.00 0.00 C ATOM 1456 CE1 HIS A 122 3.445 -2.843 13.227 1.00 0.00 C ATOM 1457 NE2 HIS A 122 3.834 -2.663 11.961 1.00 0.00 N ATOM 0 H HIS A 122 6.887 -5.877 13.129 1.00 0.00 H new ATOM 0 HA HIS A 122 4.514 -6.153 14.785 1.00 0.00 H new ATOM 0 HB2 HIS A 122 5.121 -6.580 11.825 1.00 0.00 H new ATOM 0 HB3 HIS A 122 3.542 -6.877 12.526 1.00 0.00 H new ATOM 0 HD2 HIS A 122 4.664 -4.134 10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 122 3.047 -2.060 13.855 1.00 0.00 H new ATOM 0 HE2 HIS A 122 3.812 -1.797 11.423 1.00 0.00 H new ATOM 1465 N SER A 123 6.392 -8.637 14.250 1.00 0.00 N ATOM 1466 CA SER A 123 6.575 -10.069 14.447 1.00 0.00 C ATOM 1467 C SER A 123 6.035 -10.500 15.805 1.00 0.00 C ATOM 1468 O SER A 123 5.245 -11.437 15.902 1.00 0.00 O ATOM 1469 CB SER A 123 8.060 -10.423 14.354 1.00 0.00 C ATOM 1470 OG SER A 123 8.230 -11.812 14.609 1.00 0.00 O ATOM 0 H SER A 123 7.257 -8.104 14.160 1.00 0.00 H new ATOM 0 HA SER A 123 6.024 -10.595 13.667 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.444 -10.174 13.365 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.631 -9.837 15.074 1.00 0.00 H new ATOM 0 HG SER A 123 9.181 -12.042 14.548 1.00 0.00 H new ATOM 1476 N GLN A 124 6.472 -9.809 16.858 1.00 0.00 N ATOM 1477 CA GLN A 124 6.029 -10.125 18.216 1.00 0.00 C ATOM 1478 C GLN A 124 5.866 -8.850 19.038 1.00 0.00 C ATOM 1479 O GLN A 124 6.190 -8.820 20.224 1.00 0.00 O ATOM 1480 CB GLN A 124 7.041 -11.050 18.894 1.00 0.00 C ATOM 1481 CG GLN A 124 7.022 -12.420 18.211 1.00 0.00 C ATOM 1482 CD GLN A 124 8.019 -13.352 18.888 1.00 0.00 C ATOM 1483 OE1 GLN A 124 8.645 -12.980 19.880 1.00 0.00 O ATOM 1484 NE2 GLN A 124 8.206 -14.551 18.406 1.00 0.00 N ATOM 0 H GLN A 124 7.129 -9.031 16.798 1.00 0.00 H new ATOM 0 HA GLN A 124 5.064 -10.628 18.155 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.040 -10.617 18.836 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.800 -11.156 19.952 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.020 -12.847 18.261 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.270 -12.313 17.155 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.686 -14.857 17.584 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.872 -15.182 18.852 1.00 0.00 H new ATOM 1493 N ARG A 125 5.363 -7.801 18.398 1.00 0.00 N ATOM 1494 CA ARG A 125 5.162 -6.528 19.081 1.00 0.00 C ATOM 1495 C ARG A 125 6.455 -6.068 19.744 1.00 0.00 C ATOM 1496 O ARG A 125 6.436 -5.240 20.654 1.00 0.00 O ATOM 1497 CB ARG A 125 4.071 -6.677 20.145 1.00 0.00 C ATOM 1498 CG ARG A 125 2.833 -7.346 19.534 1.00 0.00 C ATOM 1499 CD ARG A 125 2.210 -6.426 18.483 1.00 0.00 C ATOM 1500 NE ARG A 125 0.868 -6.879 18.148 1.00 0.00 N ATOM 1501 CZ ARG A 125 0.269 -6.478 17.033 1.00 0.00 C ATOM 1502 NH1 ARG A 125 0.886 -5.669 16.214 1.00 0.00 N ATOM 1503 NH2 ARG A 125 -0.936 -6.893 16.755 1.00 0.00 N1+ ATOM 0 H ARG A 125 5.089 -7.805 17.416 1.00 0.00 H new ATOM 0 HA ARG A 125 4.857 -5.784 18.345 1.00 0.00 H new ATOM 0 HB2 ARG A 125 4.443 -7.273 20.979 1.00 0.00 H new ATOM 0 HB3 ARG A 125 3.806 -5.699 20.546 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.110 -8.297 19.079 1.00 0.00 H new ATOM 0 HG3 ARG A 125 2.105 -7.566 20.315 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.173 -5.404 18.860 1.00 0.00 H new ATOM 0 HD3 ARG A 125 2.831 -6.413 17.587 1.00 0.00 H new ATOM 0 HE ARG A 125 0.380 -7.514 18.780 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.829 -5.345 16.431 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.425 -5.361 15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.418 -7.525 17.394 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.397 -6.585 15.899 1.00 0.00 H new ATOM 1517 N ASN A 126 7.574 -6.606 19.275 1.00 0.00 N ATOM 1518 CA ASN A 126 8.873 -6.239 19.823 1.00 0.00 C ATOM 1519 C ASN A 126 9.993 -6.673 18.884 1.00 0.00 C ATOM 1520 O ASN A 126 10.263 -5.947 17.940 1.00 0.00 O ATOM 1521 CB ASN A 126 9.069 -6.895 21.191 1.00 0.00 C ATOM 1522 CG ASN A 126 10.443 -6.540 21.748 1.00 0.00 C ATOM 1523 OD1 ASN A 126 11.438 -7.173 21.398 1.00 0.00 O ATOM 1524 ND2 ASN A 126 10.558 -5.559 22.601 1.00 0.00 N ATOM 1525 OXT ASN A 126 10.567 -7.723 19.122 1.00 0.00 O ATOM 0 H ASN A 126 7.608 -7.293 18.522 1.00 0.00 H new ATOM 0 HA ASN A 126 8.905 -5.155 19.933 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.292 -6.561 21.878 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.972 -7.977 21.102 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.474 -5.316 22.978 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.732 -5.035 22.890 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 19.828 8.919 -13.983 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 14.123 -7.711 10.922 1.00 0.00 ZN