USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 47 HIS : no HD1:sc= -3.03! C(o=-2.5!,f=-2.1!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.527 K(o=-2.5,f=-11!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 0.285 K(o=1,f=-0.24) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.759 K(o=1,f=-2.9!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -1.63! C(o=-6.4!,f=-10!) USER MOD Set 3.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 21 GLN : amide:sc= -4.67! C(o=-6.4!,f=-7.6!) USER MOD Set 3.4: A 31 HIS : no HD1:sc= -0.0677 X(o=-6.4,f=-6.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0216 X(o=-0.022,f=-0.14) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 7:sc= 0.0598 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -138:sc=-0.00257 (180deg=-0.0725) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.13 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.192 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 4.011 11.341 4.773 1.00 0.00 N ATOM 12 CA ASP A 2 3.394 10.033 4.916 1.00 0.00 C ATOM 13 C ASP A 2 2.322 9.860 3.837 1.00 0.00 C ATOM 14 O ASP A 2 2.145 8.766 3.303 1.00 0.00 O ATOM 15 CB ASP A 2 2.718 9.889 6.281 1.00 0.00 C ATOM 16 CG ASP A 2 3.140 10.925 7.324 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.475 11.955 7.508 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.217 10.636 7.974 1.00 0.00 O ATOM 0 HA ASP A 2 4.175 9.279 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.639 9.953 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.931 8.894 6.672 1.00 0.00 H new ATOM 24 N ASP A 3 1.636 10.956 3.548 1.00 0.00 N ATOM 25 CA ASP A 3 0.587 10.939 2.543 1.00 0.00 C ATOM 26 C ASP A 3 1.216 10.768 1.159 1.00 0.00 C ATOM 27 O ASP A 3 1.994 11.613 0.718 1.00 0.00 O ATOM 28 CB ASP A 3 -0.201 12.250 2.546 1.00 0.00 C ATOM 29 CG ASP A 3 -0.141 13.037 3.857 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.614 14.013 3.983 1.00 0.00 O ATOM 31 OD2 ASP A 3 -0.923 12.606 4.788 1.00 0.00 O ATOM 0 H ASP A 3 1.786 11.862 3.992 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.087 10.114 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.173 12.883 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.244 12.030 2.319 1.00 0.00 H new ATOM 37 N ILE A 4 0.855 9.670 0.511 1.00 0.00 N ATOM 38 CA ILE A 4 1.375 9.378 -0.814 1.00 0.00 C ATOM 39 C ILE A 4 0.217 8.989 -1.736 1.00 0.00 C ATOM 40 O ILE A 4 -0.582 8.117 -1.400 1.00 0.00 O ATOM 41 CB ILE A 4 2.480 8.324 -0.736 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.622 8.793 0.168 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.975 7.944 -2.133 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.710 7.723 0.277 1.00 0.00 C ATOM 0 H ILE A 4 0.209 8.972 0.879 1.00 0.00 H new ATOM 0 HA ILE A 4 1.842 10.264 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 4 2.062 7.423 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.050 9.713 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.234 9.024 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.760 7.193 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.147 7.539 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.371 8.829 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.510 8.082 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.284 6.812 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.113 7.512 -0.713 1.00 0.00 H new ATOM 56 N VAL A 5 0.165 9.654 -2.881 1.00 0.00 N ATOM 57 CA VAL A 5 -0.881 9.388 -3.854 1.00 0.00 C ATOM 58 C VAL A 5 -0.326 8.488 -4.960 1.00 0.00 C ATOM 59 O VAL A 5 0.638 8.849 -5.633 1.00 0.00 O ATOM 60 CB VAL A 5 -1.449 10.706 -4.384 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.502 10.453 -5.466 1.00 0.00 C ATOM 62 CG2 VAL A 5 -2.024 11.553 -3.247 1.00 0.00 C ATOM 0 H VAL A 5 0.830 10.376 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.710 8.856 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.630 11.265 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.890 11.406 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.049 9.909 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.318 9.863 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.421 12.484 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.824 11.002 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.237 11.777 -2.526 1.00 0.00 H new ATOM 72 N LEU A 6 -0.959 7.335 -5.113 1.00 0.00 N ATOM 73 CA LEU A 6 -0.540 6.380 -6.126 1.00 0.00 C ATOM 74 C LEU A 6 -1.423 6.539 -7.365 1.00 0.00 C ATOM 75 O LEU A 6 -2.503 5.956 -7.441 1.00 0.00 O ATOM 76 CB LEU A 6 -0.532 4.961 -5.554 1.00 0.00 C ATOM 77 CG LEU A 6 0.448 4.706 -4.407 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.111 3.404 -3.678 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.894 4.725 -4.907 1.00 0.00 C ATOM 0 H LEU A 6 -1.759 7.040 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 6 0.486 6.579 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.538 4.725 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.304 4.266 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 6 0.347 5.516 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.822 3.246 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.897 3.467 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.167 2.570 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.570 4.541 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.029 3.949 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.115 5.698 -5.345 1.00 0.00 H new ATOM 91 N LYS A 7 -0.930 7.331 -8.306 1.00 0.00 N ATOM 92 CA LYS A 7 -1.661 7.573 -9.539 1.00 0.00 C ATOM 93 C LYS A 7 -2.109 6.236 -10.132 1.00 0.00 C ATOM 94 O LYS A 7 -1.347 5.272 -10.144 1.00 0.00 O ATOM 95 CB LYS A 7 -0.826 8.423 -10.498 1.00 0.00 C ATOM 96 CG LYS A 7 0.395 7.647 -10.997 1.00 0.00 C ATOM 97 CD LYS A 7 1.692 8.271 -10.476 1.00 0.00 C ATOM 98 CE LYS A 7 2.166 7.567 -9.203 1.00 0.00 C ATOM 99 NZ LYS A 7 3.591 7.186 -9.322 1.00 0.00 N ATOM 0 H LYS A 7 -0.034 7.813 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.563 8.152 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.439 8.729 -11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.502 9.334 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.329 6.609 -10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.404 7.638 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.465 8.205 -11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.534 9.330 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.030 8.224 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.560 6.679 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.897 6.709 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.712 6.542 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.167 8.039 -9.471 1.00 0.00 H new ATOM 112 N ALA A 8 -3.345 6.222 -10.610 1.00 0.00 N ATOM 113 CA ALA A 8 -3.904 5.020 -11.204 1.00 0.00 C ATOM 114 C ALA A 8 -4.926 5.411 -12.272 1.00 0.00 C ATOM 115 O ALA A 8 -5.741 6.308 -12.059 1.00 0.00 O ATOM 116 CB ALA A 8 -4.514 4.145 -10.106 1.00 0.00 C ATOM 0 H ALA A 8 -3.975 7.024 -10.598 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.125 4.435 -11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.934 3.243 -10.551 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.741 3.870 -9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.302 4.698 -9.596 1.00 0.00 H new ATOM 122 N LYS A 9 -4.850 4.720 -13.400 1.00 0.00 N ATOM 123 CA LYS A 9 -5.759 4.984 -14.503 1.00 0.00 C ATOM 124 C LYS A 9 -7.154 4.470 -14.143 1.00 0.00 C ATOM 125 O LYS A 9 -8.104 4.659 -14.901 1.00 0.00 O ATOM 126 CB LYS A 9 -5.205 4.402 -15.805 1.00 0.00 C ATOM 127 CG LYS A 9 -5.136 2.875 -15.736 1.00 0.00 C ATOM 128 CD LYS A 9 -4.485 2.299 -16.996 1.00 0.00 C ATOM 129 CE LYS A 9 -5.221 1.042 -17.467 1.00 0.00 C ATOM 130 NZ LYS A 9 -5.134 0.913 -18.939 1.00 0.00 N ATOM 0 H LYS A 9 -4.173 3.977 -13.574 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.849 6.057 -14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.837 4.704 -16.640 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.211 4.807 -15.995 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.567 2.572 -14.857 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.140 2.467 -15.622 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.492 3.048 -17.788 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.441 2.059 -16.793 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.789 0.161 -16.992 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.266 1.089 -17.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.638 0.056 -19.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.567 1.746 -19.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.136 0.847 -19.223 1.00 0.00 H new ATOM 143 N ASN A 10 -7.233 3.829 -12.986 1.00 0.00 N ATOM 144 CA ASN A 10 -8.496 3.285 -12.517 1.00 0.00 C ATOM 145 C ASN A 10 -8.837 3.898 -11.157 1.00 0.00 C ATOM 146 O ASN A 10 -9.520 3.277 -10.345 1.00 0.00 O ATOM 147 CB ASN A 10 -8.412 1.768 -12.343 1.00 0.00 C ATOM 148 CG ASN A 10 -9.651 1.080 -12.920 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.025 1.276 -14.065 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.266 0.266 -12.067 1.00 0.00 N ATOM 0 H ASN A 10 -6.443 3.674 -12.360 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.260 3.521 -13.258 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.518 1.391 -12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.316 1.525 -11.285 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.103 -0.239 -12.358 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.901 0.147 -11.122 1.00 0.00 H new ATOM 157 N GLY A 11 -8.344 5.111 -10.950 1.00 0.00 N ATOM 158 CA GLY A 11 -8.587 5.815 -9.703 1.00 0.00 C ATOM 159 C GLY A 11 -7.345 5.791 -8.808 1.00 0.00 C ATOM 160 O GLY A 11 -6.824 4.722 -8.493 1.00 0.00 O ATOM 0 H GLY A 11 -7.777 5.624 -11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.868 6.847 -9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.426 5.356 -9.180 1.00 0.00 H new ATOM 164 N ASP A 12 -6.908 6.981 -8.425 1.00 0.00 N ATOM 165 CA ASP A 12 -5.738 7.110 -7.574 1.00 0.00 C ATOM 166 C ASP A 12 -5.998 6.396 -6.246 1.00 0.00 C ATOM 167 O ASP A 12 -7.148 6.209 -5.852 1.00 0.00 O ATOM 168 CB ASP A 12 -5.437 8.579 -7.269 1.00 0.00 C ATOM 169 CG ASP A 12 -6.462 9.276 -6.372 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.391 9.938 -6.859 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.275 9.118 -5.106 1.00 0.00 O ATOM 0 H ASP A 12 -7.343 7.865 -8.688 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.890 6.669 -8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.458 8.643 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.371 9.124 -8.211 1.00 0.00 H new ATOM 177 N VAL A 13 -4.910 6.015 -5.593 1.00 0.00 N ATOM 178 CA VAL A 13 -5.005 5.325 -4.318 1.00 0.00 C ATOM 179 C VAL A 13 -4.270 6.135 -3.248 1.00 0.00 C ATOM 180 O VAL A 13 -3.066 6.361 -3.354 1.00 0.00 O ATOM 181 CB VAL A 13 -4.475 3.896 -4.455 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.628 3.126 -3.141 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.168 3.162 -5.604 1.00 0.00 C ATOM 0 H VAL A 13 -3.958 6.171 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.046 5.243 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.412 3.954 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.244 2.114 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.068 3.633 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.682 3.083 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.773 2.149 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.241 3.120 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.985 3.693 -6.538 1.00 0.00 H new ATOM 193 N LYS A 14 -5.026 6.550 -2.242 1.00 0.00 N ATOM 194 CA LYS A 14 -4.461 7.330 -1.154 1.00 0.00 C ATOM 195 C LYS A 14 -3.836 6.385 -0.125 1.00 0.00 C ATOM 196 O LYS A 14 -4.549 5.685 0.592 1.00 0.00 O ATOM 197 CB LYS A 14 -5.515 8.270 -0.565 1.00 0.00 C ATOM 198 CG LYS A 14 -4.859 9.409 0.217 1.00 0.00 C ATOM 199 CD LYS A 14 -4.269 8.901 1.534 1.00 0.00 C ATOM 200 CE LYS A 14 -3.816 10.066 2.417 1.00 0.00 C ATOM 201 NZ LYS A 14 -3.451 9.582 3.767 1.00 0.00 N ATOM 0 H LYS A 14 -6.025 6.361 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.662 7.974 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.129 8.681 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.181 7.710 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.073 9.864 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.595 10.187 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.012 8.306 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.423 8.245 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.962 10.565 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.614 10.805 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.146 10.385 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.276 9.126 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.674 8.894 3.691 1.00 0.00 H new ATOM 214 N PHE A 15 -2.512 6.396 -0.087 1.00 0.00 N ATOM 215 CA PHE A 15 -1.783 5.549 0.842 1.00 0.00 C ATOM 216 C PHE A 15 -1.116 6.383 1.937 1.00 0.00 C ATOM 217 O PHE A 15 -0.262 7.229 1.683 1.00 0.00 O ATOM 218 CB PHE A 15 -0.701 4.828 0.035 1.00 0.00 C ATOM 219 CG PHE A 15 0.227 3.955 0.881 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.279 2.904 1.582 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.558 4.229 0.933 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.583 2.094 2.367 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.420 3.418 1.718 1.00 0.00 C ATOM 224 CZ PHE A 15 1.914 2.368 2.418 1.00 0.00 C ATOM 0 H PHE A 15 -1.925 6.978 -0.684 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.467 4.849 1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.180 4.205 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.103 5.569 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.336 2.686 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.960 5.063 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.182 1.260 2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.477 3.635 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.570 1.751 3.015 1.00 0.00 H new ATOM 234 N PRO A 16 -1.532 6.121 3.178 1.00 0.00 N ATOM 235 CA PRO A 16 -1.036 6.788 4.363 1.00 0.00 C ATOM 236 C PRO A 16 0.260 6.129 4.815 1.00 0.00 C ATOM 237 O PRO A 16 0.199 5.119 5.514 1.00 0.00 O ATOM 238 CB PRO A 16 -2.136 6.606 5.405 1.00 0.00 C ATOM 239 CG PRO A 16 -2.832 5.359 4.993 1.00 0.00 C ATOM 240 CD PRO A 16 -2.534 5.133 3.512 1.00 0.00 C ATOM 0 HA PRO A 16 -0.815 7.842 4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.721 6.517 6.409 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.818 7.457 5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.486 4.513 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.906 5.447 5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.167 4.122 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.431 5.259 2.905 1.00 0.00 H new ATOM 248 N HIS A 17 1.387 6.699 4.416 1.00 0.00 N ATOM 249 CA HIS A 17 2.678 6.148 4.791 1.00 0.00 C ATOM 250 C HIS A 17 3.016 6.563 6.225 1.00 0.00 C ATOM 251 O HIS A 17 4.110 7.058 6.490 1.00 0.00 O ATOM 252 CB HIS A 17 3.756 6.557 3.786 1.00 0.00 C ATOM 253 CG HIS A 17 5.100 5.914 4.031 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.964 6.337 5.027 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.719 4.874 3.401 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.050 5.580 4.988 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.897 4.675 3.980 1.00 0.00 N ATOM 0 H HIS A 17 1.433 7.537 3.837 1.00 0.00 H new ATOM 0 HA HIS A 17 2.634 5.059 4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.419 6.299 2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.872 7.640 3.814 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.793 7.102 5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.319 4.309 2.572 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.907 5.665 5.640 1.00 0.00 H new ATOM 265 N LYS A 18 2.056 6.347 7.111 1.00 0.00 N ATOM 266 CA LYS A 18 2.237 6.693 8.511 1.00 0.00 C ATOM 267 C LYS A 18 1.617 5.602 9.386 1.00 0.00 C ATOM 268 O LYS A 18 2.328 4.889 10.093 1.00 0.00 O ATOM 269 CB LYS A 18 1.689 8.093 8.793 1.00 0.00 C ATOM 270 CG LYS A 18 1.218 8.215 10.243 1.00 0.00 C ATOM 271 CD LYS A 18 2.373 7.974 11.217 1.00 0.00 C ATOM 272 CE LYS A 18 2.828 9.283 11.864 1.00 0.00 C ATOM 273 NZ LYS A 18 4.212 9.611 11.454 1.00 0.00 N ATOM 0 H LYS A 18 1.150 5.936 6.887 1.00 0.00 H new ATOM 0 HA LYS A 18 3.298 6.736 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.461 8.837 8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.860 8.306 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.797 9.207 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.422 7.495 10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.061 7.272 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.209 7.516 10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.156 10.091 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.775 9.197 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.505 10.503 11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.852 8.847 11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.253 9.714 10.420 1.00 0.00 H new ATOM 286 N ALA A 19 0.298 5.505 9.309 1.00 0.00 N ATOM 287 CA ALA A 19 -0.426 4.512 10.086 1.00 0.00 C ATOM 288 C ALA A 19 0.155 3.126 9.801 1.00 0.00 C ATOM 289 O ALA A 19 0.032 2.217 10.622 1.00 0.00 O ATOM 290 CB ALA A 19 -1.918 4.598 9.759 1.00 0.00 C ATOM 0 H ALA A 19 -0.288 6.097 8.721 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.315 4.703 11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.462 3.854 10.341 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.288 5.593 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.069 4.408 8.696 1.00 0.00 H new ATOM 296 N HIS A 20 0.775 3.007 8.637 1.00 0.00 N ATOM 297 CA HIS A 20 1.375 1.746 8.234 1.00 0.00 C ATOM 298 C HIS A 20 2.736 1.584 8.915 1.00 0.00 C ATOM 299 O HIS A 20 3.439 0.604 8.680 1.00 0.00 O ATOM 300 CB HIS A 20 1.460 1.647 6.709 1.00 0.00 C ATOM 301 CG HIS A 20 0.154 1.285 6.044 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.789 2.230 5.678 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.355 0.072 5.681 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.815 1.603 5.122 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.545 0.266 5.126 1.00 0.00 N ATOM 0 H HIS A 20 0.875 3.763 7.959 1.00 0.00 H new ATOM 0 HA HIS A 20 0.744 0.919 8.559 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.806 2.601 6.312 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.210 0.901 6.445 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.708 3.238 5.813 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.128 -0.884 5.821 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.709 2.069 4.734 1.00 0.00 H new ATOM 313 N GLN A 21 3.065 2.562 9.746 1.00 0.00 N ATOM 314 CA GLN A 21 4.328 2.541 10.464 1.00 0.00 C ATOM 315 C GLN A 21 4.130 1.974 11.871 1.00 0.00 C ATOM 316 O GLN A 21 4.815 1.032 12.267 1.00 0.00 O ATOM 317 CB GLN A 21 4.952 3.937 10.517 1.00 0.00 C ATOM 318 CG GLN A 21 5.283 4.444 9.112 1.00 0.00 C ATOM 319 CD GLN A 21 5.541 5.952 9.120 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.142 6.672 10.021 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.230 6.389 8.069 1.00 0.00 N ATOM 0 H GLN A 21 2.479 3.374 9.938 1.00 0.00 H new ATOM 0 HA GLN A 21 5.018 1.891 9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.264 4.628 11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.859 3.911 11.121 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.162 3.923 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.459 4.216 8.436 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.534 5.733 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.454 7.380 7.982 1.00 0.00 H new ATOM 330 N LYS A 22 3.191 2.572 12.588 1.00 0.00 N ATOM 331 CA LYS A 22 2.894 2.139 13.943 1.00 0.00 C ATOM 332 C LYS A 22 2.264 0.745 13.902 1.00 0.00 C ATOM 333 O LYS A 22 2.338 -0.002 14.875 1.00 0.00 O ATOM 334 CB LYS A 22 2.035 3.181 14.663 1.00 0.00 C ATOM 335 CG LYS A 22 2.857 4.424 15.009 1.00 0.00 C ATOM 336 CD LYS A 22 3.307 4.394 16.471 1.00 0.00 C ATOM 337 CE LYS A 22 2.907 5.681 17.195 1.00 0.00 C ATOM 338 NZ LYS A 22 2.692 5.420 18.636 1.00 0.00 N ATOM 0 H LYS A 22 2.625 3.353 12.256 1.00 0.00 H new ATOM 0 HA LYS A 22 3.811 2.058 14.526 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.192 3.462 14.031 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.621 2.749 15.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.729 4.481 14.357 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.263 5.320 14.826 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.862 3.536 16.975 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.388 4.266 16.520 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.685 6.434 17.068 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.997 6.086 16.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.421 6.304 19.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.934 4.718 18.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.570 5.055 19.057 1.00 0.00 H new ATOM 351 N ALA A 23 1.658 0.438 12.764 1.00 0.00 N ATOM 352 CA ALA A 23 1.016 -0.853 12.583 1.00 0.00 C ATOM 353 C ALA A 23 2.063 -1.883 12.154 1.00 0.00 C ATOM 354 O ALA A 23 1.936 -3.067 12.461 1.00 0.00 O ATOM 355 CB ALA A 23 -0.121 -0.719 11.568 1.00 0.00 C ATOM 0 H ALA A 23 1.598 1.061 11.959 1.00 0.00 H new ATOM 0 HA ALA A 23 0.578 -1.199 13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.603 -1.687 11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.852 0.002 11.934 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.281 -0.376 10.614 1.00 0.00 H new ATOM 361 N VAL A 24 3.074 -1.394 11.450 1.00 0.00 N ATOM 362 CA VAL A 24 4.142 -2.257 10.976 1.00 0.00 C ATOM 363 C VAL A 24 5.486 -1.551 11.166 1.00 0.00 C ATOM 364 O VAL A 24 6.198 -1.237 10.215 1.00 0.00 O ATOM 365 CB VAL A 24 3.880 -2.664 9.524 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.982 -3.591 9.008 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.503 -3.314 9.377 1.00 0.00 C ATOM 0 H VAL A 24 3.176 -0.411 11.197 1.00 0.00 H new ATOM 0 HA VAL A 24 4.175 -3.178 11.557 1.00 0.00 H new ATOM 0 HB VAL A 24 3.890 -1.760 8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.772 -3.866 7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.942 -3.078 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.018 -4.491 9.622 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.342 -3.594 8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.452 -4.204 10.004 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.732 -2.608 9.686 1.00 0.00 H new ATOM 377 N PRO A 25 5.819 -1.304 12.435 1.00 0.00 N ATOM 378 CA PRO A 25 7.043 -0.649 12.844 1.00 0.00 C ATOM 379 C PRO A 25 8.205 -1.174 12.014 1.00 0.00 C ATOM 380 O PRO A 25 9.189 -0.455 11.848 1.00 0.00 O ATOM 381 CB PRO A 25 7.210 -1.017 14.317 1.00 0.00 C ATOM 382 CG PRO A 25 5.771 -1.129 14.787 1.00 0.00 C ATOM 383 CD PRO A 25 5.005 -1.660 13.577 1.00 0.00 C ATOM 0 HA PRO A 25 7.015 0.431 12.702 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.753 -1.954 14.443 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.759 -0.253 14.867 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.684 -1.805 15.638 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.383 -0.162 15.107 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.864 -2.739 13.641 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.013 -1.213 13.510 1.00 0.00 H new ATOM 391 N ASP A 26 8.077 -2.396 11.518 1.00 0.00 N ATOM 392 CA ASP A 26 9.130 -2.992 10.714 1.00 0.00 C ATOM 393 C ASP A 26 9.063 -2.425 9.294 1.00 0.00 C ATOM 394 O ASP A 26 8.115 -2.694 8.559 1.00 0.00 O ATOM 395 CB ASP A 26 8.964 -4.510 10.625 1.00 0.00 C ATOM 396 CG ASP A 26 10.041 -5.233 9.815 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.849 -4.600 9.119 1.00 0.00 O ATOM 398 OD2 ASP A 26 10.031 -6.519 9.919 1.00 0.00 O ATOM 0 H ASP A 26 7.259 -2.990 11.658 1.00 0.00 H new ATOM 0 HA ASP A 26 10.085 -2.761 11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.955 -4.919 11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.991 -4.729 10.184 1.00 0.00 H new ATOM 404 N CYS A 27 10.083 -1.652 8.951 1.00 0.00 N ATOM 405 CA CYS A 27 10.152 -1.045 7.633 1.00 0.00 C ATOM 406 C CYS A 27 10.752 -2.067 6.665 1.00 0.00 C ATOM 407 O CYS A 27 10.629 -1.923 5.450 1.00 0.00 O ATOM 408 CB CYS A 27 10.950 0.260 7.652 1.00 0.00 C ATOM 409 SG CYS A 27 10.769 1.248 9.181 1.00 0.00 S ATOM 0 H CYS A 27 10.869 -1.432 9.563 1.00 0.00 H new ATOM 0 HA CYS A 27 9.149 -0.776 7.301 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.005 0.026 7.510 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.642 0.870 6.803 1.00 0.00 H new ATOM 0 HG CYS A 27 10.085 0.572 10.056 1.00 0.00 H new ATOM 414 N LYS A 28 11.388 -3.077 7.240 1.00 0.00 N ATOM 415 CA LYS A 28 12.007 -4.123 6.444 1.00 0.00 C ATOM 416 C LYS A 28 10.922 -5.052 5.897 1.00 0.00 C ATOM 417 O LYS A 28 11.208 -5.946 5.102 1.00 0.00 O ATOM 418 CB LYS A 28 13.085 -4.846 7.253 1.00 0.00 C ATOM 419 CG LYS A 28 14.143 -3.863 7.759 1.00 0.00 C ATOM 420 CD LYS A 28 15.554 -4.381 7.473 1.00 0.00 C ATOM 421 CE LYS A 28 16.415 -4.356 8.738 1.00 0.00 C ATOM 422 NZ LYS A 28 16.101 -5.516 9.601 1.00 0.00 N ATOM 0 H LYS A 28 11.488 -3.193 8.248 1.00 0.00 H new ATOM 0 HA LYS A 28 12.521 -3.693 5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.627 -5.360 8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.558 -5.609 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.003 -2.894 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.019 -3.709 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.500 -5.398 7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.020 -3.770 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.471 -4.372 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.240 -3.430 9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.694 -5.484 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.098 -5.484 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.290 -6.397 9.081 1.00 0.00 H new ATOM 435 N LYS A 29 9.699 -4.809 6.345 1.00 0.00 N ATOM 436 CA LYS A 29 8.569 -5.613 5.911 1.00 0.00 C ATOM 437 C LYS A 29 8.316 -5.367 4.422 1.00 0.00 C ATOM 438 O LYS A 29 8.255 -6.310 3.635 1.00 0.00 O ATOM 439 CB LYS A 29 7.349 -5.344 6.795 1.00 0.00 C ATOM 440 CG LYS A 29 7.217 -6.410 7.885 1.00 0.00 C ATOM 441 CD LYS A 29 6.756 -7.744 7.295 1.00 0.00 C ATOM 442 CE LYS A 29 5.560 -8.302 8.070 1.00 0.00 C ATOM 443 NZ LYS A 29 6.018 -9.207 9.147 1.00 0.00 N ATOM 0 H LYS A 29 9.466 -4.067 7.004 1.00 0.00 H new ATOM 0 HA LYS A 29 8.789 -6.674 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.437 -4.359 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.447 -5.331 6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.175 -6.542 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.505 -6.077 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.484 -7.608 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.577 -8.460 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.981 -7.483 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.898 -8.840 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.194 -9.577 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.551 -9.998 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.631 -8.683 9.804 1.00 0.00 H new ATOM 456 N CYS A 30 8.175 -4.095 4.081 1.00 0.00 N ATOM 457 CA CYS A 30 7.929 -3.713 2.701 1.00 0.00 C ATOM 458 C CYS A 30 9.273 -3.387 2.046 1.00 0.00 C ATOM 459 O CYS A 30 9.600 -3.925 0.990 1.00 0.00 O ATOM 460 CB CYS A 30 6.948 -2.543 2.603 1.00 0.00 C ATOM 461 SG CYS A 30 5.520 -2.829 3.710 1.00 0.00 S ATOM 0 H CYS A 30 8.226 -3.315 4.737 1.00 0.00 H new ATOM 0 HA CYS A 30 7.458 -4.541 2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.449 -1.614 2.875 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.605 -2.431 1.575 1.00 0.00 H new ATOM 0 HG CYS A 30 4.695 -1.829 3.621 1.00 0.00 H new ATOM 466 N HIS A 31 10.017 -2.507 2.701 1.00 0.00 N ATOM 467 CA HIS A 31 11.318 -2.103 2.197 1.00 0.00 C ATOM 468 C HIS A 31 12.320 -3.242 2.392 1.00 0.00 C ATOM 469 O HIS A 31 12.838 -3.437 3.491 1.00 0.00 O ATOM 470 CB HIS A 31 11.771 -0.795 2.848 1.00 0.00 C ATOM 471 CG HIS A 31 10.843 0.369 2.599 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.604 0.881 1.336 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.097 1.115 3.464 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.752 1.890 1.447 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.439 2.033 2.767 1.00 0.00 N ATOM 0 H HIS A 31 9.743 -2.062 3.577 1.00 0.00 H new ATOM 0 HA HIS A 31 11.252 -1.904 1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.863 -0.949 3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.764 -0.541 2.476 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.050 0.981 4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.372 2.493 0.635 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.804 2.731 3.155 1.00 0.00 H new ATOM 483 N GLU A 32 12.564 -3.965 1.309 1.00 0.00 N ATOM 484 CA GLU A 32 13.496 -5.080 1.348 1.00 0.00 C ATOM 485 C GLU A 32 14.936 -4.571 1.262 1.00 0.00 C ATOM 486 O GLU A 32 15.780 -4.946 2.074 1.00 0.00 O ATOM 487 CB GLU A 32 13.200 -6.081 0.230 1.00 0.00 C ATOM 488 CG GLU A 32 12.289 -7.205 0.727 1.00 0.00 C ATOM 489 CD GLU A 32 12.933 -8.574 0.500 1.00 0.00 C ATOM 490 OE1 GLU A 32 13.155 -8.971 -0.654 1.00 0.00 O ATOM 491 OE2 GLU A 32 13.207 -9.233 1.574 1.00 0.00 O ATOM 0 H GLU A 32 12.133 -3.801 0.399 1.00 0.00 H new ATOM 0 HA GLU A 32 13.371 -5.600 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.726 -5.567 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.134 -6.503 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.082 -7.068 1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.332 -7.159 0.207 1.00 0.00 H new ATOM 499 N LYS A 33 15.173 -3.725 0.269 1.00 0.00 N ATOM 500 CA LYS A 33 16.496 -3.161 0.066 1.00 0.00 C ATOM 501 C LYS A 33 16.603 -1.836 0.823 1.00 0.00 C ATOM 502 O LYS A 33 17.318 -0.930 0.397 1.00 0.00 O ATOM 503 CB LYS A 33 16.805 -3.044 -1.428 1.00 0.00 C ATOM 504 CG LYS A 33 16.848 -4.423 -2.089 1.00 0.00 C ATOM 505 CD LYS A 33 18.087 -4.567 -2.976 1.00 0.00 C ATOM 506 CE LYS A 33 17.835 -3.986 -4.368 1.00 0.00 C ATOM 507 NZ LYS A 33 17.542 -5.067 -5.335 1.00 0.00 N ATOM 0 H LYS A 33 14.470 -3.417 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 33 17.259 -3.823 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.047 -2.428 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.762 -2.540 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.853 -5.198 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.949 -4.572 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.932 -4.057 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.358 -5.619 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.000 -3.287 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.708 -3.422 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.373 -4.655 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.351 -5.719 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.696 -5.587 -5.028 1.00 0.00 H new ATOM 520 N GLY A 34 15.881 -1.764 1.931 1.00 0.00 N ATOM 521 CA GLY A 34 15.885 -0.564 2.751 1.00 0.00 C ATOM 522 C GLY A 34 14.904 0.476 2.205 1.00 0.00 C ATOM 523 O GLY A 34 14.331 0.331 1.128 1.00 0.00 O ATOM 0 H GLY A 34 15.289 -2.517 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.617 -0.819 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.890 -0.142 2.780 1.00 0.00 H new ATOM 527 N PRO A 35 14.722 1.543 2.986 1.00 0.00 N ATOM 528 CA PRO A 35 13.842 2.647 2.667 1.00 0.00 C ATOM 529 C PRO A 35 14.170 3.175 1.277 1.00 0.00 C ATOM 530 O PRO A 35 15.347 3.229 0.925 1.00 0.00 O ATOM 531 CB PRO A 35 14.130 3.700 3.735 1.00 0.00 C ATOM 532 CG PRO A 35 15.525 3.260 4.390 1.00 0.00 C ATOM 533 CD PRO A 35 15.379 1.746 4.259 1.00 0.00 C ATOM 0 HA PRO A 35 12.790 2.363 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.196 4.696 3.298 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.336 3.732 4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.387 3.649 3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.626 3.586 5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.350 1.252 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.789 1.334 5.078 1.00 0.00 H new ATOM 541 N GLY A 36 13.144 3.548 0.526 1.00 0.00 N ATOM 542 CA GLY A 36 13.348 4.065 -0.816 1.00 0.00 C ATOM 543 C GLY A 36 12.311 3.497 -1.786 1.00 0.00 C ATOM 544 O GLY A 36 11.436 2.730 -1.386 1.00 0.00 O ATOM 0 H GLY A 36 12.169 3.502 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.283 5.153 -0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.351 3.810 -1.159 1.00 0.00 H new ATOM 548 N LYS A 37 12.442 3.895 -3.043 1.00 0.00 N ATOM 549 CA LYS A 37 11.527 3.434 -4.074 1.00 0.00 C ATOM 550 C LYS A 37 11.597 1.909 -4.168 1.00 0.00 C ATOM 551 O LYS A 37 12.649 1.317 -3.930 1.00 0.00 O ATOM 552 CB LYS A 37 11.809 4.147 -5.398 1.00 0.00 C ATOM 553 CG LYS A 37 11.049 5.471 -5.481 1.00 0.00 C ATOM 554 CD LYS A 37 11.998 6.660 -5.315 1.00 0.00 C ATOM 555 CE LYS A 37 12.062 7.494 -6.595 1.00 0.00 C ATOM 556 NZ LYS A 37 11.319 8.763 -6.425 1.00 0.00 N ATOM 0 H LYS A 37 13.168 4.532 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 37 10.500 3.690 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.879 4.331 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.519 3.505 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.537 5.541 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.282 5.503 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.663 7.284 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.995 6.301 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.101 7.705 -6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.641 6.928 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.373 9.317 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.324 8.556 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.738 9.309 -5.645 1.00 0.00 H new ATOM 569 N ILE A 38 10.465 1.317 -4.516 1.00 0.00 N ATOM 570 CA ILE A 38 10.385 -0.128 -4.646 1.00 0.00 C ATOM 571 C ILE A 38 10.353 -0.503 -6.129 1.00 0.00 C ATOM 572 O ILE A 38 9.436 -0.113 -6.851 1.00 0.00 O ATOM 573 CB ILE A 38 9.198 -0.673 -3.848 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.284 -0.251 -2.380 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.084 -2.191 -4.002 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.978 -0.556 -1.644 1.00 0.00 C ATOM 0 H ILE A 38 9.595 1.812 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 38 11.270 -0.598 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 38 8.285 -0.239 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.109 -0.773 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.501 0.815 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.233 -2.552 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.942 -2.440 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.996 -2.663 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.066 -0.246 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.159 -0.013 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.777 -1.626 -1.688 1.00 0.00 H new ATOM 588 N GLU A 39 11.364 -1.254 -6.539 1.00 0.00 N ATOM 589 CA GLU A 39 11.463 -1.685 -7.923 1.00 0.00 C ATOM 590 C GLU A 39 10.646 -2.961 -8.141 1.00 0.00 C ATOM 591 O GLU A 39 10.792 -3.930 -7.398 1.00 0.00 O ATOM 592 CB GLU A 39 12.923 -1.893 -8.329 1.00 0.00 C ATOM 593 CG GLU A 39 13.470 -0.664 -9.059 1.00 0.00 C ATOM 594 CD GLU A 39 14.769 -0.997 -9.794 1.00 0.00 C ATOM 595 OE1 GLU A 39 15.835 -1.074 -9.166 1.00 0.00 O ATOM 596 OE2 GLU A 39 14.645 -1.178 -11.066 1.00 0.00 O ATOM 0 H GLU A 39 12.122 -1.575 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 39 11.052 -0.900 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.526 -2.092 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.004 -2.769 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.729 -0.299 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.648 0.139 -8.344 1.00 0.00 H new ATOM 604 N GLY A 40 9.805 -2.918 -9.164 1.00 0.00 N ATOM 605 CA GLY A 40 8.965 -4.058 -9.489 1.00 0.00 C ATOM 606 C GLY A 40 7.499 -3.771 -9.159 1.00 0.00 C ATOM 607 O GLY A 40 6.604 -4.140 -9.918 1.00 0.00 O ATOM 0 H GLY A 40 9.687 -2.112 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.063 -4.296 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.302 -4.933 -8.933 1.00 0.00 H new ATOM 611 N PHE A 41 7.298 -3.115 -8.026 1.00 0.00 N ATOM 612 CA PHE A 41 5.956 -2.774 -7.586 1.00 0.00 C ATOM 613 C PHE A 41 5.048 -2.473 -8.780 1.00 0.00 C ATOM 614 O PHE A 41 5.516 -2.011 -9.819 1.00 0.00 O ATOM 615 CB PHE A 41 6.075 -1.518 -6.721 1.00 0.00 C ATOM 616 CG PHE A 41 4.761 -1.088 -6.065 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.218 -1.842 -5.072 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.136 0.048 -6.475 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.998 -1.443 -4.464 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.917 0.447 -5.867 1.00 0.00 C ATOM 621 CZ PHE A 41 2.374 -0.307 -4.874 1.00 0.00 C ATOM 0 H PHE A 41 8.043 -2.810 -7.399 1.00 0.00 H new ATOM 0 HA PHE A 41 5.522 -3.608 -7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.817 -1.694 -5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.447 -0.699 -7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.714 -2.744 -4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.567 0.647 -7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.566 -2.042 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.421 1.349 -6.193 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.447 -0.003 -4.411 1.00 0.00 H new ATOM 631 N GLY A 42 3.766 -2.748 -8.591 1.00 0.00 N ATOM 632 CA GLY A 42 2.787 -2.512 -9.639 1.00 0.00 C ATOM 633 C GLY A 42 1.408 -3.030 -9.228 1.00 0.00 C ATOM 634 O GLY A 42 1.143 -3.231 -8.044 1.00 0.00 O ATOM 0 H GLY A 42 3.382 -3.132 -7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.729 -1.445 -9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.106 -3.005 -10.557 1.00 0.00 H new ATOM 638 N LYS A 43 0.564 -3.232 -10.230 1.00 0.00 N ATOM 639 CA LYS A 43 -0.782 -3.722 -9.988 1.00 0.00 C ATOM 640 C LYS A 43 -0.707 -5.061 -9.252 1.00 0.00 C ATOM 641 O LYS A 43 -0.927 -5.122 -8.043 1.00 0.00 O ATOM 642 CB LYS A 43 -1.574 -3.783 -11.295 1.00 0.00 C ATOM 643 CG LYS A 43 -3.079 -3.827 -11.024 1.00 0.00 C ATOM 644 CD LYS A 43 -3.783 -4.778 -11.993 1.00 0.00 C ATOM 645 CE LYS A 43 -4.996 -4.103 -12.639 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.474 -4.895 -13.794 1.00 0.00 N ATOM 0 H LYS A 43 0.787 -3.065 -11.211 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.328 -3.033 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.337 -2.914 -11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.277 -4.665 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.258 -4.149 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.499 -2.826 -11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.085 -5.097 -12.767 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.101 -5.675 -11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.796 -3.999 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.730 -3.098 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.297 -4.424 -14.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.714 -4.972 -14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.747 -5.846 -13.474 1.00 0.00 H new ATOM 659 N GLU A 44 -0.396 -6.101 -10.011 1.00 0.00 N ATOM 660 CA GLU A 44 -0.289 -7.436 -9.446 1.00 0.00 C ATOM 661 C GLU A 44 0.287 -7.368 -8.030 1.00 0.00 C ATOM 662 O GLU A 44 -0.128 -8.122 -7.151 1.00 0.00 O ATOM 663 CB GLU A 44 0.558 -8.344 -10.340 1.00 0.00 C ATOM 664 CG GLU A 44 -0.263 -8.875 -11.517 1.00 0.00 C ATOM 665 CD GLU A 44 -1.343 -7.872 -11.929 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.411 -7.818 -11.302 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.040 -7.130 -12.940 1.00 0.00 O ATOM 0 H GLU A 44 -0.214 -6.047 -11.013 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.289 -7.867 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.420 -7.791 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.944 -9.179 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.395 -9.075 -12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.727 -9.823 -11.243 1.00 0.00 H new ATOM 675 N MET A 45 1.234 -6.458 -7.854 1.00 0.00 N ATOM 676 CA MET A 45 1.871 -6.283 -6.560 1.00 0.00 C ATOM 677 C MET A 45 0.901 -5.664 -5.551 1.00 0.00 C ATOM 678 O MET A 45 0.645 -6.242 -4.496 1.00 0.00 O ATOM 679 CB MET A 45 3.095 -5.378 -6.712 1.00 0.00 C ATOM 680 CG MET A 45 4.284 -5.927 -5.921 1.00 0.00 C ATOM 681 SD MET A 45 3.889 -5.976 -4.181 1.00 0.00 S ATOM 682 CE MET A 45 5.509 -6.299 -3.504 1.00 0.00 C ATOM 0 H MET A 45 1.575 -5.835 -8.586 1.00 0.00 H new ATOM 0 HA MET A 45 2.175 -7.262 -6.190 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.362 -5.295 -7.766 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.855 -4.373 -6.364 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.535 -6.927 -6.274 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.161 -5.301 -6.086 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.444 -6.361 -2.418 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.887 -7.242 -3.899 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.187 -5.492 -3.781 1.00 0.00 H new ATOM 692 N ALA A 46 0.389 -4.496 -5.910 1.00 0.00 N ATOM 693 CA ALA A 46 -0.547 -3.792 -5.049 1.00 0.00 C ATOM 694 C ALA A 46 -1.675 -4.743 -4.645 1.00 0.00 C ATOM 695 O ALA A 46 -1.975 -4.888 -3.461 1.00 0.00 O ATOM 696 CB ALA A 46 -1.065 -2.546 -5.769 1.00 0.00 C ATOM 0 H ALA A 46 0.604 -4.019 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.053 -3.459 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.767 -2.018 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.228 -1.890 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.570 -2.841 -6.689 1.00 0.00 H new ATOM 702 N HIS A 47 -2.269 -5.367 -5.652 1.00 0.00 N ATOM 703 CA HIS A 47 -3.358 -6.300 -5.416 1.00 0.00 C ATOM 704 C HIS A 47 -2.810 -7.576 -4.773 1.00 0.00 C ATOM 705 O HIS A 47 -3.480 -8.198 -3.951 1.00 0.00 O ATOM 706 CB HIS A 47 -4.131 -6.571 -6.708 1.00 0.00 C ATOM 707 CG HIS A 47 -4.706 -5.332 -7.351 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.920 -5.225 -8.714 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.111 -4.150 -6.804 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.429 -4.028 -8.965 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.546 -3.363 -7.780 1.00 0.00 N ATOM 0 H HIS A 47 -2.017 -5.245 -6.633 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.073 -5.862 -4.719 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.468 -7.063 -7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.942 -7.267 -6.495 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.083 -3.897 -5.754 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.703 -3.646 -9.937 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.908 -2.417 -7.663 1.00 0.00 H new ATOM 719 N GLY A 48 -1.597 -7.928 -5.174 1.00 0.00 N ATOM 720 CA GLY A 48 -0.951 -9.119 -4.648 1.00 0.00 C ATOM 721 C GLY A 48 -0.462 -8.890 -3.217 1.00 0.00 C ATOM 722 O GLY A 48 -1.198 -8.367 -2.382 1.00 0.00 O ATOM 0 H GLY A 48 -1.045 -7.409 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.650 -9.955 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.109 -9.392 -5.285 1.00 0.00 H new ATOM 726 N LYS A 49 0.777 -9.295 -2.977 1.00 0.00 N ATOM 727 CA LYS A 49 1.373 -9.141 -1.661 1.00 0.00 C ATOM 728 C LYS A 49 1.994 -7.747 -1.548 1.00 0.00 C ATOM 729 O LYS A 49 3.062 -7.586 -0.959 1.00 0.00 O ATOM 730 CB LYS A 49 2.358 -10.278 -1.383 1.00 0.00 C ATOM 731 CG LYS A 49 3.623 -10.127 -2.230 1.00 0.00 C ATOM 732 CD LYS A 49 3.720 -11.241 -3.275 1.00 0.00 C ATOM 733 CE LYS A 49 4.790 -10.920 -4.321 1.00 0.00 C ATOM 734 NZ LYS A 49 4.536 -11.674 -5.569 1.00 0.00 N ATOM 0 H LYS A 49 1.384 -9.730 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 49 0.610 -9.215 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.623 -10.284 -0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.884 -11.236 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.618 -9.157 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.502 -10.151 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.957 -12.185 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.755 -11.370 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.794 -9.850 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.776 -11.172 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.271 -11.445 -6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.555 -12.694 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.603 -11.413 -5.948 1.00 0.00 H new ATOM 747 N GLY A 50 1.299 -6.775 -2.121 1.00 0.00 N ATOM 748 CA GLY A 50 1.769 -5.401 -2.091 1.00 0.00 C ATOM 749 C GLY A 50 0.909 -4.548 -1.156 1.00 0.00 C ATOM 750 O GLY A 50 1.430 -3.882 -0.263 1.00 0.00 O ATOM 0 H GLY A 50 0.414 -6.912 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.807 -5.375 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.744 -4.982 -3.097 1.00 0.00 H new ATOM 754 N CYS A 51 -0.393 -4.595 -1.395 1.00 0.00 N ATOM 755 CA CYS A 51 -1.330 -3.834 -0.586 1.00 0.00 C ATOM 756 C CYS A 51 -2.385 -4.798 -0.038 1.00 0.00 C ATOM 757 O CYS A 51 -2.253 -5.299 1.078 1.00 0.00 O ATOM 758 CB CYS A 51 -1.962 -2.688 -1.378 1.00 0.00 C ATOM 759 SG CYS A 51 -0.774 -1.448 -2.012 1.00 0.00 S ATOM 0 H CYS A 51 -0.821 -5.148 -2.137 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.800 -3.366 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.513 -3.107 -2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.689 -2.183 -0.742 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.416 -0.527 -2.667 1.00 0.00 H new ATOM 764 N LYS A 52 -3.407 -5.029 -0.849 1.00 0.00 N ATOM 765 CA LYS A 52 -4.483 -5.924 -0.460 1.00 0.00 C ATOM 766 C LYS A 52 -3.892 -7.164 0.213 1.00 0.00 C ATOM 767 O LYS A 52 -4.332 -7.560 1.290 1.00 0.00 O ATOM 768 CB LYS A 52 -5.376 -6.242 -1.661 1.00 0.00 C ATOM 769 CG LYS A 52 -6.327 -5.081 -1.961 1.00 0.00 C ATOM 770 CD LYS A 52 -7.692 -5.595 -2.420 1.00 0.00 C ATOM 771 CE LYS A 52 -7.750 -5.712 -3.945 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.973 -7.118 -4.349 1.00 0.00 N ATOM 0 H LYS A 52 -3.512 -4.612 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.132 -5.443 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.757 -6.445 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.952 -7.146 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.447 -4.465 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.896 -4.444 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.888 -6.568 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.474 -4.919 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.552 -5.084 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.820 -5.346 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.010 -7.179 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.194 -7.709 -3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.872 -7.455 -3.950 1.00 0.00 H new ATOM 785 N GLY A 53 -2.902 -7.743 -0.452 1.00 0.00 N ATOM 786 CA GLY A 53 -2.246 -8.931 0.068 1.00 0.00 C ATOM 787 C GLY A 53 -2.216 -8.916 1.597 1.00 0.00 C ATOM 788 O GLY A 53 -2.863 -9.740 2.242 1.00 0.00 O ATOM 0 H GLY A 53 -2.539 -7.412 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.769 -9.822 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.228 -8.988 -0.319 1.00 0.00 H new ATOM 792 N CYS A 54 -1.459 -7.970 2.134 1.00 0.00 N ATOM 793 CA CYS A 54 -1.337 -7.837 3.576 1.00 0.00 C ATOM 794 C CYS A 54 -2.741 -7.679 4.164 1.00 0.00 C ATOM 795 O CYS A 54 -3.074 -8.312 5.164 1.00 0.00 O ATOM 796 CB CYS A 54 -0.423 -6.673 3.961 1.00 0.00 C ATOM 797 SG CYS A 54 0.098 -6.838 5.708 1.00 0.00 S ATOM 0 H CYS A 54 -0.924 -7.288 1.596 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.870 -8.731 3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.452 -6.657 3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.945 -5.727 3.816 1.00 0.00 H new ATOM 0 HG CYS A 54 0.876 -5.845 6.024 1.00 0.00 H new ATOM 802 N HIS A 55 -3.526 -6.829 3.518 1.00 0.00 N ATOM 803 CA HIS A 55 -4.886 -6.579 3.964 1.00 0.00 C ATOM 804 C HIS A 55 -5.634 -7.907 4.100 1.00 0.00 C ATOM 805 O HIS A 55 -5.911 -8.358 5.210 1.00 0.00 O ATOM 806 CB HIS A 55 -5.592 -5.594 3.031 1.00 0.00 C ATOM 807 CG HIS A 55 -5.049 -4.187 3.100 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.568 -3.145 2.351 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.028 -3.660 3.836 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.882 -2.046 2.630 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.928 -2.368 3.550 1.00 0.00 N ATOM 0 H HIS A 55 -3.246 -6.305 2.689 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.869 -6.109 4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.507 -5.955 2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.654 -5.575 3.276 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.347 -3.212 1.695 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.407 -4.202 4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.049 -1.068 2.204 1.00 0.00 H new ATOM 819 N GLU A 56 -5.940 -8.497 2.953 1.00 0.00 N ATOM 820 CA GLU A 56 -6.650 -9.764 2.929 1.00 0.00 C ATOM 821 C GLU A 56 -5.915 -10.800 3.782 1.00 0.00 C ATOM 822 O GLU A 56 -6.512 -11.780 4.226 1.00 0.00 O ATOM 823 CB GLU A 56 -6.832 -10.264 1.494 1.00 0.00 C ATOM 824 CG GLU A 56 -5.669 -9.817 0.607 1.00 0.00 C ATOM 825 CD GLU A 56 -5.416 -10.828 -0.515 1.00 0.00 C ATOM 826 OE1 GLU A 56 -6.084 -10.776 -1.558 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.486 -11.689 -0.273 1.00 0.00 O ATOM 0 H GLU A 56 -5.709 -8.120 2.034 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.642 -9.610 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.900 -11.352 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.770 -9.884 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.889 -8.839 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.768 -9.705 1.211 1.00 0.00 H new ATOM 835 N GLU A 57 -4.630 -10.549 3.984 1.00 0.00 N ATOM 836 CA GLU A 57 -3.808 -11.448 4.776 1.00 0.00 C ATOM 837 C GLU A 57 -4.294 -11.474 6.226 1.00 0.00 C ATOM 838 O GLU A 57 -4.551 -12.542 6.780 1.00 0.00 O ATOM 839 CB GLU A 57 -2.332 -11.052 4.699 1.00 0.00 C ATOM 840 CG GLU A 57 -1.536 -12.063 3.871 1.00 0.00 C ATOM 841 CD GLU A 57 -1.824 -13.494 4.328 1.00 0.00 C ATOM 842 OE1 GLU A 57 -2.017 -13.735 5.529 1.00 0.00 O ATOM 843 OE2 GLU A 57 -1.843 -14.374 3.385 1.00 0.00 O ATOM 0 H GLU A 57 -4.138 -9.736 3.613 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.903 -12.453 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.240 -10.061 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.915 -10.991 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.791 -11.956 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.470 -11.855 3.964 1.00 0.00 H new ATOM 851 N MET A 58 -4.405 -10.285 6.801 1.00 0.00 N ATOM 852 CA MET A 58 -4.856 -10.158 8.176 1.00 0.00 C ATOM 853 C MET A 58 -6.361 -9.892 8.238 1.00 0.00 C ATOM 854 O MET A 58 -6.937 -9.814 9.321 1.00 0.00 O ATOM 855 CB MET A 58 -4.105 -9.010 8.855 1.00 0.00 C ATOM 856 CG MET A 58 -2.596 -9.259 8.843 1.00 0.00 C ATOM 857 SD MET A 58 -2.022 -9.618 10.495 1.00 0.00 S ATOM 858 CE MET A 58 -2.099 -7.984 11.211 1.00 0.00 C ATOM 0 H MET A 58 -4.190 -9.401 6.339 1.00 0.00 H new ATOM 0 HA MET A 58 -4.651 -11.095 8.694 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.327 -8.073 8.344 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.451 -8.902 9.883 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.362 -10.091 8.179 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.078 -8.384 8.452 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.212 -7.812 11.821 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.142 -7.240 10.416 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.990 -7.901 11.834 1.00 0.00 H new ATOM 868 N LYS A 59 -6.955 -9.759 7.061 1.00 0.00 N ATOM 869 CA LYS A 59 -8.382 -9.503 6.967 1.00 0.00 C ATOM 870 C LYS A 59 -8.667 -8.063 7.401 1.00 0.00 C ATOM 871 O LYS A 59 -9.823 -7.681 7.575 1.00 0.00 O ATOM 872 CB LYS A 59 -9.167 -10.550 7.758 1.00 0.00 C ATOM 873 CG LYS A 59 -9.853 -11.546 6.820 1.00 0.00 C ATOM 874 CD LYS A 59 -10.923 -10.853 5.974 1.00 0.00 C ATOM 875 CE LYS A 59 -12.253 -11.607 6.047 1.00 0.00 C ATOM 876 NZ LYS A 59 -12.206 -12.823 5.205 1.00 0.00 N ATOM 0 H LYS A 59 -6.474 -9.824 6.164 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.719 -9.598 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.494 -11.082 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.914 -10.056 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.111 -12.008 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.307 -12.347 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.061 -9.830 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.591 -10.794 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.466 -11.881 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.064 -10.959 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.116 -13.323 5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.024 -12.554 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.445 -13.448 5.540 1.00 0.00 H new ATOM 889 N LYS A 60 -7.593 -7.304 7.562 1.00 0.00 N ATOM 890 CA LYS A 60 -7.713 -5.915 7.972 1.00 0.00 C ATOM 891 C LYS A 60 -7.352 -5.008 6.794 1.00 0.00 C ATOM 892 O LYS A 60 -6.505 -5.356 5.973 1.00 0.00 O ATOM 893 CB LYS A 60 -6.879 -5.653 9.228 1.00 0.00 C ATOM 894 CG LYS A 60 -7.240 -6.639 10.341 1.00 0.00 C ATOM 895 CD LYS A 60 -7.864 -5.914 11.535 1.00 0.00 C ATOM 896 CE LYS A 60 -9.388 -5.852 11.403 1.00 0.00 C ATOM 897 NZ LYS A 60 -9.960 -4.949 12.427 1.00 0.00 N ATOM 0 H LYS A 60 -6.636 -7.625 7.416 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.742 -5.686 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.819 -5.740 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.045 -4.633 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.937 -7.385 9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.346 -7.173 10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.596 -6.428 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.460 -4.904 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.659 -5.501 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.810 -6.851 11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.994 -4.918 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.717 -5.301 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.571 -3.993 12.303 1.00 0.00 H new ATOM 910 N GLY A 61 -8.013 -3.860 6.748 1.00 0.00 N ATOM 911 CA GLY A 61 -7.773 -2.900 5.685 1.00 0.00 C ATOM 912 C GLY A 61 -8.751 -3.108 4.527 1.00 0.00 C ATOM 913 O GLY A 61 -9.423 -4.131 4.416 1.00 0.00 O ATOM 0 H GLY A 61 -8.715 -3.574 7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.876 -1.887 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.750 -3.000 5.324 1.00 0.00 H new ATOM 917 N PRO A 62 -8.815 -2.100 3.655 1.00 0.00 N ATOM 918 CA PRO A 62 -9.669 -2.085 2.486 1.00 0.00 C ATOM 919 C PRO A 62 -9.221 -3.165 1.512 1.00 0.00 C ATOM 920 O PRO A 62 -8.068 -3.139 1.086 1.00 0.00 O ATOM 921 CB PRO A 62 -9.485 -0.693 1.884 1.00 0.00 C ATOM 922 CG PRO A 62 -8.163 -0.223 2.383 1.00 0.00 C ATOM 923 CD PRO A 62 -8.040 -0.882 3.754 1.00 0.00 C ATOM 0 HA PRO A 62 -10.714 -2.284 2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.504 -0.729 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.285 -0.021 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.353 -0.526 1.719 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.126 0.864 2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.999 -1.095 3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.425 -0.232 4.540 1.00 0.00 H new ATOM 931 N THR A 63 -10.122 -4.080 1.184 1.00 0.00 N ATOM 932 CA THR A 63 -9.795 -5.155 0.263 1.00 0.00 C ATOM 933 C THR A 63 -10.727 -5.120 -0.950 1.00 0.00 C ATOM 934 O THR A 63 -10.510 -5.837 -1.925 1.00 0.00 O ATOM 935 CB THR A 63 -9.853 -6.474 1.036 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.195 -6.538 1.513 1.00 0.00 O ATOM 937 CG2 THR A 63 -9.006 -6.443 2.310 1.00 0.00 C ATOM 0 H THR A 63 -11.078 -4.099 1.540 1.00 0.00 H new ATOM 0 HA THR A 63 -8.788 -5.040 -0.137 1.00 0.00 H new ATOM 0 HB THR A 63 -9.514 -7.287 0.394 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.321 -7.364 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.082 -7.403 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.965 -6.252 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.367 -5.652 2.968 1.00 0.00 H new ATOM 945 N LYS A 64 -11.745 -4.278 -0.849 1.00 0.00 N ATOM 946 CA LYS A 64 -12.711 -4.140 -1.926 1.00 0.00 C ATOM 947 C LYS A 64 -12.342 -2.928 -2.784 1.00 0.00 C ATOM 948 O LYS A 64 -11.656 -2.020 -2.319 1.00 0.00 O ATOM 949 CB LYS A 64 -14.134 -4.087 -1.366 1.00 0.00 C ATOM 950 CG LYS A 64 -14.399 -5.267 -0.430 1.00 0.00 C ATOM 951 CD LYS A 64 -15.514 -6.161 -0.978 1.00 0.00 C ATOM 952 CE LYS A 64 -16.204 -6.931 0.151 1.00 0.00 C ATOM 953 NZ LYS A 64 -16.603 -8.279 -0.310 1.00 0.00 N ATOM 0 H LYS A 64 -11.922 -3.685 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.682 -5.013 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.282 -3.151 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.852 -4.100 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.487 -5.851 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.676 -4.898 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.246 -5.552 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.100 -6.863 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.532 -7.016 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.082 -6.381 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.070 -8.788 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.261 -8.191 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.759 -8.807 -0.612 1.00 0.00 H new ATOM 966 N CYS A 65 -12.814 -2.955 -4.022 1.00 0.00 N ATOM 967 CA CYS A 65 -12.542 -1.870 -4.950 1.00 0.00 C ATOM 968 C CYS A 65 -13.309 -0.632 -4.479 1.00 0.00 C ATOM 969 O CYS A 65 -14.276 -0.745 -3.728 1.00 0.00 O ATOM 970 CB CYS A 65 -12.902 -2.251 -6.387 1.00 0.00 C ATOM 971 SG CYS A 65 -12.832 -4.044 -6.746 1.00 0.00 S ATOM 0 H CYS A 65 -13.383 -3.711 -4.404 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.474 -1.654 -4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.908 -1.891 -6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.225 -1.732 -7.066 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.157 -4.251 -7.988 1.00 0.00 H new ATOM 976 N GLY A 66 -12.847 0.521 -4.940 1.00 0.00 N ATOM 977 CA GLY A 66 -13.477 1.779 -4.575 1.00 0.00 C ATOM 978 C GLY A 66 -12.907 2.317 -3.261 1.00 0.00 C ATOM 979 O GLY A 66 -12.779 3.528 -3.085 1.00 0.00 O ATOM 0 H GLY A 66 -12.044 0.611 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.324 2.510 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.553 1.636 -4.477 1.00 0.00 H new ATOM 983 N GLU A 67 -12.580 1.391 -2.372 1.00 0.00 N ATOM 984 CA GLU A 67 -12.026 1.757 -1.079 1.00 0.00 C ATOM 985 C GLU A 67 -10.586 2.247 -1.238 1.00 0.00 C ATOM 986 O GLU A 67 -10.063 2.941 -0.366 1.00 0.00 O ATOM 987 CB GLU A 67 -12.101 0.585 -0.099 1.00 0.00 C ATOM 988 CG GLU A 67 -12.614 1.044 1.268 1.00 0.00 C ATOM 989 CD GLU A 67 -12.633 -0.116 2.265 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.151 0.032 3.398 1.00 0.00 O ATOM 991 OE2 GLU A 67 -13.173 -1.203 1.827 1.00 0.00 O ATOM 0 H GLU A 67 -12.688 0.388 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.623 2.571 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.760 -0.186 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.114 0.135 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.979 1.845 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.618 1.455 1.164 1.00 0.00 H new ATOM 999 N CYS A 68 -9.986 1.869 -2.357 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.616 2.262 -2.641 1.00 0.00 C ATOM 1001 C CYS A 68 -8.631 3.244 -3.813 1.00 0.00 C ATOM 1002 O CYS A 68 -8.005 4.301 -3.751 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.727 1.049 -2.924 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.593 0.762 -1.516 1.00 0.00 S ATOM 0 H CYS A 68 -10.423 1.295 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.186 2.749 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.344 0.166 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.153 1.213 -3.836 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.844 -0.271 -1.765 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.354 2.861 -4.856 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.460 3.695 -6.041 1.00 0.00 C ATOM 1011 C HIS A 69 -10.628 4.670 -5.880 1.00 0.00 C ATOM 1012 O HIS A 69 -11.785 4.294 -6.061 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.574 2.836 -7.301 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.411 1.895 -7.511 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.152 2.331 -7.885 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.330 0.539 -7.394 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.357 1.276 -7.986 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.089 0.166 -7.682 1.00 0.00 N ATOM 0 H HIS A 69 -9.872 1.984 -4.905 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.552 4.287 -6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.494 2.254 -7.249 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.659 3.491 -8.168 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.882 3.300 -8.054 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.139 -0.120 -7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.313 1.292 -8.261 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.284 5.904 -5.541 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.290 6.936 -5.353 1.00 0.00 C ATOM 1028 C LYS A 70 -11.140 7.994 -6.449 1.00 0.00 C ATOM 1029 O LYS A 70 -10.118 8.675 -6.523 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.216 7.505 -3.935 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.805 6.524 -2.919 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.768 7.234 -1.966 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.133 7.424 -0.587 1.00 0.00 C ATOM 1034 NZ LYS A 70 -13.060 6.975 0.477 1.00 0.00 N ATOM 0 H LYS A 70 -9.323 6.212 -5.392 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.291 6.515 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.178 7.720 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.758 8.450 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.329 5.724 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.001 6.059 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.046 8.204 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.686 6.653 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.202 6.860 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.880 8.474 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.614 7.111 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.938 7.531 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.281 5.968 0.343 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.173 8.098 -7.272 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.168 9.061 -8.360 1.00 0.00 C ATOM 1049 C LYS A 71 -12.505 10.448 -7.809 1.00 0.00 C ATOM 1050 O LYS A 71 -13.667 10.747 -7.539 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.099 8.603 -9.485 1.00 0.00 C ATOM 1052 CG LYS A 71 -12.718 9.259 -10.813 1.00 0.00 C ATOM 1053 CD LYS A 71 -13.930 9.361 -11.742 1.00 0.00 C ATOM 1054 CE LYS A 71 -13.494 9.451 -13.205 1.00 0.00 C ATOM 1055 NZ LYS A 71 -13.456 10.862 -13.649 1.00 0.00 N ATOM 0 H LYS A 71 -13.019 7.532 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.176 9.127 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.050 7.519 -9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.130 8.854 -9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.312 10.254 -10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.932 8.679 -11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.573 8.492 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.520 10.239 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.509 8.999 -13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.183 8.885 -13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.158 10.905 -14.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.403 11.282 -13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.781 11.392 -13.062 1.00 0.00 H new