USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 745 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 75 GLN : amide:sc= -0.344 K(o=0.8,f=-0.46) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -111:sc= 1.14 (180deg=0.225) USER MOD Set 2.1: A 70 HIS : no HE2:sc= -3.43! C(o=-5!,f=-8!) USER MOD Set 2.2: A 74 CYS SG : rot 106:sc= 0.503 USER MOD Set 2.3: A 79 CYS SG : rot 81:sc= -2.03! USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= -5.18! USER MOD Set 3.2: A 60 CYS SG : rot 92:sc= -5.96! USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.385 X(o=-0.92,f=-1.2) USER MOD Set 4.2: A 49 CYS SG : rot 95:sc= -0.431 USER MOD Set 4.3: A 57 CYS SG : rot 160:sc= -0.101 USER MOD Set 5.1: A 35 SER OG : rot 170:sc= -0.0225 USER MOD Set 5.2: B 21 THR OG1 : rot -12:sc= 0.132 USER MOD Set 6.1: A 22 HIS :FLIP no HE2:sc= 0.675 F(o=-4.6!,f=0.63) USER MOD Set 6.2: A 26 CYS SG : rot 150:sc= 0.338 USER MOD Set 6.3: A 36 CYS SG : rot -172:sc= -0.387 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 69:sc= 0.222 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.6) USER MOD Single : A 19 SER OG : rot 88:sc= -1.02! USER MOD Single : A 25 GLN : amide:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.058 USER MOD Single : A 32 SER OG : rot 50:sc= 0.117 USER MOD Single : A 37 GLN : amide:sc= -0.501 K(o=-0.5,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ -132:sc= 1.66 (180deg=-1.83) USER MOD Single : A 39 MET CE :methyl 177:sc= -6.95! (180deg=-7.26!) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= -1.15 (180deg=-3.46!) USER MOD Single : A 44 GLN : amide:sc= -0.542 K(o=-0.54,f=-3.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc=-0.00693 (180deg=-0.127) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0.693 (180deg=0.623) USER MOD Single : A 53 THR OG1 : rot 180:sc=8.13e-06 USER MOD Single : A 54 ASN : amide:sc= 1.2 K(o=1.2,f=-0.066) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0721 F(o=-2.8!,f=-0.072) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 77 ASN :FLIP amide:sc= 0.918 F(o=-0.038,f=0.92) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 17:sc= -0.991 USER MOD Single : A 86 ASN : amide:sc= -0.616 X(o=-0.62,f=-0.95) USER MOD Single : B 12 SER OG : rot -24:sc= 0.532 USER MOD Single : B 18 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 76 N ASP A 7 12.243 -12.106 0.951 1.00 0.00 N ATOM 77 CA ASP A 7 11.502 -12.057 -0.255 1.00 0.00 C ATOM 78 C ASP A 7 10.088 -12.125 0.261 1.00 0.00 C ATOM 79 O ASP A 7 9.248 -11.414 -0.120 1.00 0.00 O ATOM 80 CB ASP A 7 11.739 -13.280 -1.017 1.00 0.00 C ATOM 81 CG ASP A 7 11.085 -13.417 -2.372 1.00 0.00 C ATOM 82 OD1 ASP A 7 9.915 -13.882 -2.441 1.00 0.00 O ATOM 83 OD2 ASP A 7 11.756 -13.138 -3.387 1.00 0.00 O ATOM 0 HA ASP A 7 11.739 -11.199 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.815 -13.382 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.415 -14.121 -0.405 1.00 0.00 H new ATOM 88 N SER A 8 9.907 -12.901 1.256 1.00 0.00 N ATOM 89 CA SER A 8 8.662 -12.941 1.778 1.00 0.00 C ATOM 90 C SER A 8 8.316 -11.626 2.620 1.00 0.00 C ATOM 91 O SER A 8 7.198 -11.187 2.558 1.00 0.00 O ATOM 92 CB SER A 8 8.303 -14.262 2.427 1.00 0.00 C ATOM 93 OG SER A 8 6.946 -14.307 2.833 1.00 0.00 O ATOM 0 H SER A 8 10.609 -13.495 1.697 1.00 0.00 H new ATOM 0 HA SER A 8 7.969 -12.911 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.498 -15.074 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.945 -14.426 3.292 1.00 0.00 H new ATOM 0 HG SER A 8 6.756 -15.176 3.245 1.00 0.00 H new ATOM 99 N ARG A 9 9.304 -10.982 3.370 1.00 0.00 N ATOM 100 CA ARG A 9 9.058 -9.701 3.997 1.00 0.00 C ATOM 101 C ARG A 9 8.694 -8.668 2.894 1.00 0.00 C ATOM 102 O ARG A 9 7.599 -8.094 2.859 1.00 0.00 O ATOM 103 CB ARG A 9 10.367 -9.208 4.624 1.00 0.00 C ATOM 104 CG ARG A 9 10.242 -8.021 5.469 1.00 0.00 C ATOM 105 CD ARG A 9 9.604 -8.317 6.817 1.00 0.00 C ATOM 106 NE ARG A 9 10.308 -9.397 7.525 1.00 0.00 N ATOM 107 CZ ARG A 9 11.425 -9.268 8.277 1.00 0.00 C ATOM 108 NH1 ARG A 9 12.082 -8.099 8.356 1.00 0.00 N ATOM 109 NH2 ARG A 9 11.909 -10.326 8.912 1.00 0.00 N ATOM 0 H ARG A 9 10.240 -11.357 3.525 1.00 0.00 H new ATOM 0 HA ARG A 9 8.263 -9.803 4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.793 -10.015 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.076 -8.993 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.230 -7.589 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.646 -7.272 4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.611 -7.415 7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.560 -8.596 6.673 1.00 0.00 H new ATOM 0 HE ARG A 9 9.916 -10.335 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.740 -7.286 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.922 -8.024 8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.440 -11.228 8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.751 -10.238 9.481 1.00 0.00 H new ATOM 123 N ARG A 10 9.607 -8.537 1.944 1.00 0.00 N ATOM 124 CA ARG A 10 9.567 -7.487 0.952 1.00 0.00 C ATOM 125 C ARG A 10 8.535 -7.699 -0.097 1.00 0.00 C ATOM 126 O ARG A 10 7.949 -6.753 -0.559 1.00 0.00 O ATOM 127 CB ARG A 10 10.926 -7.229 0.320 1.00 0.00 C ATOM 128 CG ARG A 10 11.923 -6.607 1.297 1.00 0.00 C ATOM 129 CD ARG A 10 13.096 -7.510 1.479 1.00 0.00 C ATOM 130 NE ARG A 10 13.877 -7.207 2.694 1.00 0.00 N ATOM 131 CZ ARG A 10 15.164 -7.511 2.918 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.946 -7.950 1.948 1.00 0.00 N ATOM 133 NH2 ARG A 10 15.664 -7.346 4.133 1.00 0.00 N ATOM 0 H ARG A 10 10.403 -9.167 1.844 1.00 0.00 H new ATOM 0 HA ARG A 10 9.277 -6.594 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.331 -8.168 -0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.803 -6.568 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.255 -5.639 0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.439 -6.429 2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.749 -8.542 1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.746 -7.432 0.608 1.00 0.00 H new ATOM 0 HE ARG A 10 13.387 -6.715 3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.574 -8.064 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.922 -8.175 2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.072 -6.992 4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.641 -7.573 4.318 1.00 0.00 H new ATOM 147 N LEU A 11 8.302 -8.935 -0.473 1.00 0.00 N ATOM 148 CA LEU A 11 7.301 -9.231 -1.451 1.00 0.00 C ATOM 149 C LEU A 11 5.980 -9.240 -0.890 1.00 0.00 C ATOM 150 O LEU A 11 5.002 -9.104 -1.595 1.00 0.00 O ATOM 151 CB LEU A 11 7.566 -10.443 -2.259 1.00 0.00 C ATOM 152 CG LEU A 11 8.755 -10.266 -3.225 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.111 -10.344 -2.614 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.587 -10.983 -4.519 1.00 0.00 C ATOM 0 H LEU A 11 8.798 -9.749 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 11 7.357 -8.404 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.766 -11.282 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.673 -10.696 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 11 8.712 -9.211 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.867 -10.206 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.216 -9.564 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.244 -11.320 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.462 -10.812 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.478 -12.051 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.698 -10.611 -5.028 1.00 0.00 H new ATOM 166 N SER A 12 5.919 -9.393 0.380 1.00 0.00 N ATOM 167 CA SER A 12 4.663 -9.253 1.033 1.00 0.00 C ATOM 168 C SER A 12 4.226 -7.777 0.927 1.00 0.00 C ATOM 169 O SER A 12 3.094 -7.470 0.535 1.00 0.00 O ATOM 170 CB SER A 12 4.722 -9.749 2.480 1.00 0.00 C ATOM 171 OG SER A 12 3.531 -9.544 3.193 1.00 0.00 O ATOM 0 H SER A 12 6.710 -9.612 0.986 1.00 0.00 H new ATOM 0 HA SER A 12 3.916 -9.878 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.958 -10.813 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.537 -9.241 2.996 1.00 0.00 H new ATOM 0 HG SER A 12 2.833 -10.136 2.842 1.00 0.00 H new ATOM 177 N ILE A 13 5.166 -6.873 1.173 1.00 0.00 N ATOM 178 CA ILE A 13 4.845 -5.416 1.058 1.00 0.00 C ATOM 179 C ILE A 13 4.833 -4.940 -0.328 1.00 0.00 C ATOM 180 O ILE A 13 4.111 -4.049 -0.624 1.00 0.00 O ATOM 181 CB ILE A 13 5.651 -4.419 1.852 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.748 -5.070 2.457 1.00 0.00 C ATOM 183 CG2 ILE A 13 4.778 -3.696 2.871 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.707 -4.177 3.043 1.00 0.00 C ATOM 0 H ILE A 13 6.126 -7.088 1.444 1.00 0.00 H new ATOM 0 HA ILE A 13 3.856 -5.432 1.515 1.00 0.00 H new ATOM 0 HB ILE A 13 6.040 -3.655 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.377 -5.745 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.249 -5.685 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.385 -2.983 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.979 -3.165 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.345 -4.422 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.518 -4.754 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.109 -3.519 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.223 -3.579 3.815 1.00 0.00 H new ATOM 196 N GLN A 14 5.709 -5.446 -1.158 1.00 0.00 N ATOM 197 CA GLN A 14 5.618 -5.228 -2.572 1.00 0.00 C ATOM 198 C GLN A 14 4.191 -5.432 -3.029 1.00 0.00 C ATOM 199 O GLN A 14 3.683 -4.626 -3.678 1.00 0.00 O ATOM 200 CB GLN A 14 6.490 -6.198 -3.311 1.00 0.00 C ATOM 201 CG GLN A 14 6.449 -6.008 -4.772 1.00 0.00 C ATOM 202 CD GLN A 14 7.175 -7.091 -5.546 1.00 0.00 C ATOM 203 OE1 GLN A 14 6.603 -8.125 -5.854 1.00 0.00 O ATOM 204 NE2 GLN A 14 8.389 -6.832 -5.941 1.00 0.00 N ATOM 0 H GLN A 14 6.502 -6.019 -0.870 1.00 0.00 H new ATOM 0 HA GLN A 14 5.944 -4.209 -2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.518 -6.092 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.177 -7.215 -3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.409 -5.976 -5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.889 -5.041 -5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.839 -5.959 -5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.889 -7.502 -6.525 1.00 0.00 H new ATOM 213 N ARG A 15 3.582 -6.521 -2.634 1.00 0.00 N ATOM 214 CA ARG A 15 2.181 -6.825 -2.990 1.00 0.00 C ATOM 215 C ARG A 15 1.201 -5.930 -2.335 1.00 0.00 C ATOM 216 O ARG A 15 0.136 -5.651 -2.867 1.00 0.00 O ATOM 217 CB ARG A 15 1.882 -8.193 -2.621 1.00 0.00 C ATOM 218 CG ARG A 15 2.755 -9.122 -3.438 1.00 0.00 C ATOM 219 CD ARG A 15 2.167 -10.492 -3.529 1.00 0.00 C ATOM 220 NE ARG A 15 3.008 -11.399 -4.319 1.00 0.00 N ATOM 221 CZ ARG A 15 2.662 -11.946 -5.499 1.00 0.00 C ATOM 222 NH1 ARG A 15 1.536 -11.566 -6.125 1.00 0.00 N ATOM 223 NH2 ARG A 15 3.473 -12.831 -6.078 1.00 0.00 N ATOM 0 H ARG A 15 4.026 -7.235 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 15 2.090 -6.671 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.062 -8.345 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.829 -8.410 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.883 -8.713 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.746 -9.180 -2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.038 -10.899 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.176 -10.432 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 15 3.927 -11.633 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.934 -10.857 -5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.283 -11.987 -7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.350 -13.090 -5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.216 -13.249 -6.972 1.00 0.00 H new ATOM 237 N ALA A 16 1.573 -5.503 -1.215 1.00 0.00 N ATOM 238 CA ALA A 16 0.843 -4.628 -0.389 1.00 0.00 C ATOM 239 C ALA A 16 0.804 -3.302 -1.076 1.00 0.00 C ATOM 240 O ALA A 16 -0.235 -2.736 -1.287 1.00 0.00 O ATOM 241 CB ALA A 16 1.548 -4.625 0.956 1.00 0.00 C ATOM 0 H ALA A 16 2.468 -5.771 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.193 -4.918 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.022 -3.959 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.555 -5.635 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.573 -4.278 0.828 1.00 0.00 H new ATOM 247 N ILE A 17 1.948 -2.890 -1.503 1.00 0.00 N ATOM 248 CA ILE A 17 2.129 -1.741 -2.299 1.00 0.00 C ATOM 249 C ILE A 17 1.552 -1.917 -3.676 1.00 0.00 C ATOM 250 O ILE A 17 0.890 -1.105 -4.095 1.00 0.00 O ATOM 251 CB ILE A 17 3.560 -1.413 -2.476 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.172 -1.007 -1.234 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.679 -0.313 -3.429 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.603 -1.000 -1.287 1.00 0.00 C ATOM 0 H ILE A 17 2.821 -3.374 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 17 1.615 -0.940 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 17 4.068 -2.307 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.820 -0.009 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.847 -1.679 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.731 -0.063 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.249 -0.612 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.146 0.558 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.001 -0.686 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.963 -2.002 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.935 -0.307 -2.060 1.00 0.00 H new ATOM 266 N GLN A 18 1.877 -2.993 -4.381 1.00 0.00 N ATOM 267 CA GLN A 18 1.372 -3.248 -5.729 1.00 0.00 C ATOM 268 C GLN A 18 -0.091 -3.174 -5.712 1.00 0.00 C ATOM 269 O GLN A 18 -0.678 -2.620 -6.611 1.00 0.00 O ATOM 270 CB GLN A 18 1.759 -4.636 -6.254 1.00 0.00 C ATOM 271 CG GLN A 18 3.204 -4.857 -6.623 1.00 0.00 C ATOM 272 CD GLN A 18 3.434 -6.291 -7.073 1.00 0.00 C ATOM 273 OE1 GLN A 18 2.732 -7.219 -6.633 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.394 -6.498 -7.934 1.00 0.00 N ATOM 0 H GLN A 18 2.503 -3.720 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 18 1.815 -2.496 -6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.488 -5.371 -5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.150 -4.846 -7.133 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.489 -4.171 -7.420 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.841 -4.633 -5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.951 -5.714 -8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.587 -7.443 -8.266 1.00 0.00 H new ATOM 283 N SER A 19 -0.701 -3.698 -4.668 1.00 0.00 N ATOM 284 CA SER A 19 -2.096 -3.594 -4.595 1.00 0.00 C ATOM 285 C SER A 19 -2.500 -2.259 -4.279 1.00 0.00 C ATOM 286 O SER A 19 -3.407 -1.780 -4.867 1.00 0.00 O ATOM 287 CB SER A 19 -2.683 -4.542 -3.682 1.00 0.00 C ATOM 288 OG SER A 19 -2.333 -5.836 -4.086 1.00 0.00 O ATOM 0 H SER A 19 -0.247 -4.181 -3.893 1.00 0.00 H new ATOM 0 HA SER A 19 -2.474 -3.843 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.331 -4.356 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.767 -4.431 -3.669 1.00 0.00 H new ATOM 0 HG SER A 19 -1.473 -6.083 -3.685 1.00 0.00 H new ATOM 294 N LEU A 20 -1.800 -1.646 -3.403 1.00 0.00 N ATOM 295 CA LEU A 20 -2.061 -0.359 -3.017 1.00 0.00 C ATOM 296 C LEU A 20 -1.918 0.630 -4.173 1.00 0.00 C ATOM 297 O LEU A 20 -2.769 1.468 -4.396 1.00 0.00 O ATOM 298 CB LEU A 20 -1.167 0.008 -1.917 1.00 0.00 C ATOM 299 CG LEU A 20 -1.607 1.090 -1.248 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.495 0.624 -0.159 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.528 1.951 -0.897 1.00 0.00 C ATOM 0 H LEU A 20 -1.000 -2.066 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.098 -0.310 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.076 -0.832 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.170 0.206 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.223 1.744 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.866 1.483 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.336 0.077 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.937 -0.031 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.914 2.816 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.176 1.412 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.019 2.284 -1.802 1.00 0.00 H new ATOM 313 N VAL A 21 -0.854 0.484 -4.876 1.00 0.00 N ATOM 314 CA VAL A 21 -0.517 1.200 -6.027 1.00 0.00 C ATOM 315 C VAL A 21 -1.570 1.009 -7.066 1.00 0.00 C ATOM 316 O VAL A 21 -2.024 1.945 -7.672 1.00 0.00 O ATOM 317 CB VAL A 21 0.858 0.736 -6.603 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.898 1.113 -8.025 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.049 1.330 -5.819 1.00 0.00 C ATOM 0 H VAL A 21 -0.142 -0.203 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.442 2.253 -5.756 1.00 0.00 H new ATOM 0 HB VAL A 21 0.953 -0.345 -6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.849 0.802 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.081 0.623 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.794 2.194 -8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.984 0.979 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.011 2.418 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.994 1.012 -4.778 1.00 0.00 H new ATOM 329 N HIS A 22 -1.921 -0.209 -7.263 1.00 0.00 N ATOM 330 CA HIS A 22 -2.920 -0.585 -8.226 1.00 0.00 C ATOM 331 C HIS A 22 -4.175 -0.015 -7.832 1.00 0.00 C ATOM 332 O HIS A 22 -4.799 0.517 -8.585 1.00 0.00 O ATOM 333 CB HIS A 22 -3.040 -2.063 -8.280 1.00 0.00 C ATOM 334 CG HIS A 22 -4.003 -2.609 -9.311 1.00 0.00 C ATOM 335 ND1 HIS A 22 -5.323 -2.899 -9.231 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -3.634 -2.902 -10.597 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 -5.716 -3.352 -10.467 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 -4.674 -3.341 -11.267 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.520 -0.997 -6.755 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.636 -0.219 -9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.053 -2.482 -8.475 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.349 -2.420 -7.297 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.915 -2.800 -8.407 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.638 -2.789 -10.999 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.714 -3.665 -10.736 1.00 0.00 H new ATOM 347 N ALA A 23 -4.475 -0.109 -6.622 1.00 0.00 N ATOM 348 CA ALA A 23 -5.690 0.377 -6.063 1.00 0.00 C ATOM 349 C ALA A 23 -5.779 1.886 -6.246 1.00 0.00 C ATOM 350 O ALA A 23 -6.831 2.442 -6.504 1.00 0.00 O ATOM 351 CB ALA A 23 -5.663 -0.028 -4.602 1.00 0.00 C ATOM 0 H ALA A 23 -3.862 -0.548 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.572 -0.038 -6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.573 0.317 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.599 -1.114 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.797 0.421 -4.116 1.00 0.00 H new ATOM 357 N ALA A 24 -4.667 2.488 -6.174 1.00 0.00 N ATOM 358 CA ALA A 24 -4.522 3.882 -6.348 1.00 0.00 C ATOM 359 C ALA A 24 -4.678 4.252 -7.786 1.00 0.00 C ATOM 360 O ALA A 24 -5.399 5.162 -8.149 1.00 0.00 O ATOM 361 CB ALA A 24 -3.149 4.192 -5.944 1.00 0.00 C ATOM 0 H ALA A 24 -3.787 2.008 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.271 4.423 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.970 5.261 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.003 3.906 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.451 3.640 -6.573 1.00 0.00 H new ATOM 367 N GLN A 25 -3.998 3.508 -8.584 1.00 0.00 N ATOM 368 CA GLN A 25 -3.869 3.754 -9.965 1.00 0.00 C ATOM 369 C GLN A 25 -5.092 3.251 -10.728 1.00 0.00 C ATOM 370 O GLN A 25 -5.450 3.765 -11.779 1.00 0.00 O ATOM 371 CB GLN A 25 -2.669 2.970 -10.445 1.00 0.00 C ATOM 372 CG GLN A 25 -2.299 3.221 -11.845 1.00 0.00 C ATOM 373 CD GLN A 25 -1.457 2.106 -12.497 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.580 1.886 -13.708 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.560 1.433 -11.762 1.00 0.00 N ATOM 0 H GLN A 25 -3.497 2.676 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.765 4.826 -10.136 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.817 3.208 -9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.872 1.906 -10.321 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.209 3.359 -12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.742 4.156 -11.898 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.470 1.626 -10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.033 0.728 -12.200 1.00 0.00 H new ATOM 384 N CYS A 26 -5.724 2.282 -10.173 1.00 0.00 N ATOM 385 CA CYS A 26 -6.851 1.670 -10.741 1.00 0.00 C ATOM 386 C CYS A 26 -8.013 2.509 -10.337 1.00 0.00 C ATOM 387 O CYS A 26 -8.250 2.664 -9.149 1.00 0.00 O ATOM 388 CB CYS A 26 -7.041 0.222 -10.155 1.00 0.00 C ATOM 389 SG CYS A 26 -8.513 -0.661 -10.719 1.00 0.00 S ATOM 0 H CYS A 26 -5.453 1.883 -9.274 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.750 1.588 -11.823 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.163 -0.372 -10.410 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.075 0.291 -9.068 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.275 -1.939 -10.729 1.00 0.00 H new ATOM 395 N ARG A 27 -8.759 3.043 -11.244 1.00 0.00 N ATOM 396 CA ARG A 27 -9.854 3.803 -10.785 1.00 0.00 C ATOM 397 C ARG A 27 -11.071 3.316 -11.428 1.00 0.00 C ATOM 398 O ARG A 27 -11.503 3.702 -12.501 1.00 0.00 O ATOM 399 CB ARG A 27 -9.594 5.344 -10.795 1.00 0.00 C ATOM 400 CG ARG A 27 -8.866 5.909 -12.022 1.00 0.00 C ATOM 401 CD ARG A 27 -9.756 5.991 -13.228 1.00 0.00 C ATOM 402 NE ARG A 27 -10.812 7.002 -13.064 1.00 0.00 N ATOM 403 CZ ARG A 27 -12.020 6.949 -13.636 1.00 0.00 C ATOM 404 NH1 ARG A 27 -12.436 5.826 -14.206 1.00 0.00 N ATOM 405 NH2 ARG A 27 -12.834 7.993 -13.552 1.00 0.00 N ATOM 0 H ARG A 27 -8.637 2.971 -12.254 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.006 3.646 -9.717 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.554 5.852 -10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.014 5.598 -9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.483 6.902 -11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.005 5.281 -12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.156 6.232 -14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.211 5.017 -13.410 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.607 7.805 -12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.835 5.002 -14.208 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.357 5.786 -14.642 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.538 8.832 -13.053 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.756 7.957 -13.987 1.00 0.00 H new ATOM 419 N ASN A 28 -11.496 2.317 -10.781 1.00 0.00 N ATOM 420 CA ASN A 28 -12.628 1.582 -11.038 1.00 0.00 C ATOM 421 C ASN A 28 -13.106 1.151 -9.672 1.00 0.00 C ATOM 422 O ASN A 28 -12.482 0.257 -9.092 1.00 0.00 O ATOM 423 CB ASN A 28 -12.132 0.407 -11.798 1.00 0.00 C ATOM 424 CG ASN A 28 -13.162 -0.377 -12.486 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.331 -0.384 -12.104 1.00 0.00 O ATOM 426 ND2 ASN A 28 -12.742 -1.099 -13.470 1.00 0.00 N ATOM 0 H ASN A 28 -10.992 1.964 -9.967 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.421 2.093 -11.584 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.408 0.752 -12.536 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.598 -0.250 -11.111 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.390 -1.710 -13.967 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.762 -1.059 -13.750 1.00 0.00 H new ATOM 433 N ALA A 29 -14.084 1.773 -9.091 1.00 0.00 N ATOM 434 CA ALA A 29 -14.458 1.393 -7.731 1.00 0.00 C ATOM 435 C ALA A 29 -15.105 0.021 -7.698 1.00 0.00 C ATOM 436 O ALA A 29 -15.125 -0.654 -6.670 1.00 0.00 O ATOM 437 CB ALA A 29 -15.339 2.437 -7.088 1.00 0.00 C ATOM 0 H ALA A 29 -14.634 2.525 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.542 1.335 -7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.598 2.122 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.806 3.387 -7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.249 2.557 -7.675 1.00 0.00 H new ATOM 443 N ASN A 30 -15.582 -0.388 -8.835 1.00 0.00 N ATOM 444 CA ASN A 30 -16.250 -1.644 -9.003 1.00 0.00 C ATOM 445 C ASN A 30 -15.479 -2.529 -9.905 1.00 0.00 C ATOM 446 O ASN A 30 -16.065 -3.347 -10.642 1.00 0.00 O ATOM 447 CB ASN A 30 -17.615 -1.408 -9.558 1.00 0.00 C ATOM 448 CG ASN A 30 -18.495 -0.629 -8.591 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.342 -0.728 -7.372 1.00 0.00 O ATOM 450 ND2 ASN A 30 -19.401 0.135 -9.098 1.00 0.00 N ATOM 0 H ASN A 30 -15.516 0.157 -9.695 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.331 -2.135 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.535 -0.861 -10.497 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.085 -2.365 -9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.013 0.676 -8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.506 0.199 -10.111 1.00 0.00 H new ATOM 457 N CYS A 31 -14.156 -2.374 -9.886 1.00 0.00 N ATOM 458 CA CYS A 31 -13.302 -3.385 -10.451 1.00 0.00 C ATOM 459 C CYS A 31 -13.641 -4.520 -9.664 1.00 0.00 C ATOM 460 O CYS A 31 -13.666 -4.359 -8.406 1.00 0.00 O ATOM 461 CB CYS A 31 -11.832 -3.128 -10.111 1.00 0.00 C ATOM 462 SG CYS A 31 -10.686 -4.417 -10.657 1.00 0.00 S ATOM 0 H CYS A 31 -13.671 -1.569 -9.490 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.421 -3.452 -11.532 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.531 -2.181 -10.559 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.739 -3.013 -9.031 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.474 -4.092 -10.318 1.00 0.00 H new ATOM 468 N SER A 32 -13.893 -5.676 -10.198 1.00 0.00 N ATOM 469 CA SER A 32 -14.113 -6.508 -9.208 1.00 0.00 C ATOM 470 C SER A 32 -12.934 -7.365 -9.146 1.00 0.00 C ATOM 471 O SER A 32 -12.823 -8.425 -9.764 1.00 0.00 O ATOM 472 CB SER A 32 -15.384 -7.317 -9.535 1.00 0.00 C ATOM 473 OG SER A 32 -15.401 -7.696 -10.907 1.00 0.00 O ATOM 0 H SER A 32 -13.936 -5.980 -11.171 1.00 0.00 H new ATOM 0 HA SER A 32 -14.270 -6.013 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.426 -8.207 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 32 -16.268 -6.722 -9.306 1.00 0.00 H new ATOM 0 HG SER A 32 -14.544 -8.109 -11.143 1.00 0.00 H new ATOM 479 N LEU A 33 -11.987 -6.793 -8.499 1.00 0.00 N ATOM 480 CA LEU A 33 -11.134 -7.242 -7.669 1.00 0.00 C ATOM 481 C LEU A 33 -11.502 -6.508 -6.374 1.00 0.00 C ATOM 482 O LEU A 33 -11.095 -5.397 -6.222 1.00 0.00 O ATOM 483 CB LEU A 33 -9.755 -7.011 -8.216 1.00 0.00 C ATOM 484 CG LEU A 33 -8.655 -7.394 -7.338 1.00 0.00 C ATOM 485 CD1 LEU A 33 -9.017 -8.513 -6.453 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.486 -7.729 -8.109 1.00 0.00 C ATOM 0 H LEU A 33 -11.839 -5.793 -8.632 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.143 -8.316 -7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.658 -7.562 -9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.652 -5.953 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.433 -6.534 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.168 -8.764 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.864 -8.225 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.288 -9.380 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.676 -8.012 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.715 -8.563 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.181 -6.866 -8.701 1.00 0.00 H new ATOM 498 N PRO A 34 -12.417 -6.974 -5.589 1.00 0.00 N ATOM 499 CA PRO A 34 -12.726 -6.405 -4.244 1.00 0.00 C ATOM 500 C PRO A 34 -11.580 -6.374 -3.339 1.00 0.00 C ATOM 501 O PRO A 34 -11.598 -5.694 -2.328 1.00 0.00 O ATOM 502 CB PRO A 34 -13.804 -7.275 -3.758 1.00 0.00 C ATOM 503 CG PRO A 34 -14.511 -7.533 -5.040 1.00 0.00 C ATOM 504 CD PRO A 34 -13.401 -7.906 -5.976 1.00 0.00 C ATOM 0 HA PRO A 34 -13.010 -5.354 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.429 -8.188 -3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.439 -6.783 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.242 -8.336 -4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.050 -6.652 -5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.073 -8.936 -5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.687 -7.798 -7.022 1.00 0.00 H new ATOM 512 N SER A 35 -10.627 -7.105 -3.662 1.00 0.00 N ATOM 513 CA SER A 35 -9.411 -6.985 -3.022 1.00 0.00 C ATOM 514 C SER A 35 -8.616 -5.747 -3.593 1.00 0.00 C ATOM 515 O SER A 35 -7.900 -5.075 -2.840 1.00 0.00 O ATOM 516 CB SER A 35 -8.695 -8.322 -2.967 1.00 0.00 C ATOM 517 OG SER A 35 -9.387 -9.205 -2.093 1.00 0.00 O ATOM 0 H SER A 35 -10.664 -7.818 -4.390 1.00 0.00 H new ATOM 0 HA SER A 35 -9.537 -6.740 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.638 -8.755 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.671 -8.182 -2.621 1.00 0.00 H new ATOM 0 HG SER A 35 -9.020 -10.109 -2.183 1.00 0.00 H new ATOM 523 N CYS A 36 -8.844 -5.348 -4.924 1.00 0.00 N ATOM 524 CA CYS A 36 -8.333 -4.092 -5.373 1.00 0.00 C ATOM 525 C CYS A 36 -9.099 -3.065 -4.621 1.00 0.00 C ATOM 526 O CYS A 36 -8.525 -2.167 -4.056 1.00 0.00 O ATOM 527 CB CYS A 36 -8.537 -3.770 -6.884 1.00 0.00 C ATOM 528 SG CYS A 36 -7.932 -2.139 -7.340 1.00 0.00 S ATOM 0 H CYS A 36 -9.356 -5.889 -5.620 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.255 -4.112 -5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.024 -4.523 -7.483 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.598 -3.839 -7.125 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.290 -1.869 -8.560 1.00 0.00 H new ATOM 534 N GLN A 37 -10.451 -3.277 -4.622 1.00 0.00 N ATOM 535 CA GLN A 37 -11.457 -2.447 -3.960 1.00 0.00 C ATOM 536 C GLN A 37 -11.075 -2.133 -2.666 1.00 0.00 C ATOM 537 O GLN A 37 -11.071 -1.012 -2.309 1.00 0.00 O ATOM 538 CB GLN A 37 -12.858 -3.046 -3.919 1.00 0.00 C ATOM 539 CG GLN A 37 -13.523 -3.274 -5.313 1.00 0.00 C ATOM 540 CD GLN A 37 -14.955 -3.761 -5.224 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.676 -3.485 -4.271 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.383 -4.447 -6.235 1.00 0.00 N ATOM 0 H GLN A 37 -10.867 -4.070 -5.111 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.511 -1.552 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.813 -4.001 -3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.500 -2.390 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.499 -2.341 -5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.934 -4.000 -5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.755 -4.658 -7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.348 -4.776 -6.256 1.00 0.00 H new ATOM 551 N LYS A 38 -10.736 -3.092 -1.978 1.00 0.00 N ATOM 552 CA LYS A 38 -10.366 -2.942 -0.715 1.00 0.00 C ATOM 553 C LYS A 38 -9.155 -2.050 -0.520 1.00 0.00 C ATOM 554 O LYS A 38 -9.196 -1.168 0.247 1.00 0.00 O ATOM 555 CB LYS A 38 -10.069 -4.202 -0.191 1.00 0.00 C ATOM 556 CG LYS A 38 -9.250 -4.067 1.010 1.00 0.00 C ATOM 557 CD LYS A 38 -9.557 -5.030 1.964 1.00 0.00 C ATOM 558 CE LYS A 38 -9.428 -6.411 1.455 1.00 0.00 C ATOM 559 NZ LYS A 38 -9.580 -7.370 2.538 1.00 0.00 N ATOM 0 H LYS A 38 -10.712 -4.055 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.197 -2.456 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.991 -4.732 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.541 -4.798 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.197 -4.147 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.395 -3.075 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.900 -4.903 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.577 -4.872 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.183 -6.595 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.455 -6.541 0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.811 -8.069 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.542 -6.872 3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.495 -7.855 2.446 1.00 0.00 H new ATOM 573 N MET A 39 -8.079 -2.366 -1.198 1.00 0.00 N ATOM 574 CA MET A 39 -6.808 -1.662 -1.027 1.00 0.00 C ATOM 575 C MET A 39 -6.994 -0.218 -1.321 1.00 0.00 C ATOM 576 O MET A 39 -6.468 0.662 -0.691 1.00 0.00 O ATOM 577 CB MET A 39 -5.794 -2.175 -2.014 1.00 0.00 C ATOM 578 CG MET A 39 -5.015 -3.340 -1.614 1.00 0.00 C ATOM 579 SD MET A 39 -3.476 -3.010 -0.727 1.00 0.00 S ATOM 580 CE MET A 39 -4.044 -2.048 0.614 1.00 0.00 C ATOM 0 H MET A 39 -8.048 -3.117 -1.887 1.00 0.00 H new ATOM 0 HA MET A 39 -6.470 -1.820 -0.003 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.315 -2.417 -2.940 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.101 -1.365 -2.240 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.643 -3.972 -0.986 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.777 -3.916 -2.508 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.209 -1.817 1.275 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.477 -1.121 0.239 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.801 -2.605 1.166 1.00 0.00 H new ATOM 590 N LYS A 40 -7.713 -0.071 -2.322 1.00 0.00 N ATOM 591 CA LYS A 40 -8.179 1.122 -2.914 1.00 0.00 C ATOM 592 C LYS A 40 -8.946 1.880 -1.878 1.00 0.00 C ATOM 593 O LYS A 40 -8.641 2.944 -1.573 1.00 0.00 O ATOM 594 CB LYS A 40 -9.127 0.633 -3.874 1.00 0.00 C ATOM 595 CG LYS A 40 -9.180 1.255 -5.125 1.00 0.00 C ATOM 596 CD LYS A 40 -10.144 0.467 -5.940 1.00 0.00 C ATOM 597 CE LYS A 40 -9.919 0.637 -7.352 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.445 1.911 -7.792 1.00 0.00 N ATOM 0 H LYS A 40 -8.049 -0.886 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.394 1.755 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.921 -0.425 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.119 0.700 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.505 2.291 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.196 1.271 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.058 -0.589 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.161 0.773 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.852 0.582 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.397 -0.172 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.884 2.259 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.436 1.795 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.394 2.596 -7.011 1.00 0.00 H new ATOM 612 N ARG A 41 -9.864 1.161 -1.258 1.00 0.00 N ATOM 613 CA ARG A 41 -10.777 1.596 -0.169 1.00 0.00 C ATOM 614 C ARG A 41 -10.058 1.756 1.059 1.00 0.00 C ATOM 615 O ARG A 41 -10.608 2.150 2.020 1.00 0.00 O ATOM 616 CB ARG A 41 -11.793 0.582 0.079 1.00 0.00 C ATOM 617 CG ARG A 41 -13.002 0.682 -0.805 1.00 0.00 C ATOM 618 CD ARG A 41 -14.050 -0.239 -0.310 1.00 0.00 C ATOM 619 NE ARG A 41 -15.209 -0.309 -1.207 1.00 0.00 N ATOM 620 CZ ARG A 41 -16.128 -1.287 -1.212 1.00 0.00 C ATOM 621 NH1 ARG A 41 -16.108 -2.234 -0.287 1.00 0.00 N ATOM 622 NH2 ARG A 41 -17.083 -1.300 -2.135 1.00 0.00 N ATOM 0 H ARG A 41 -10.017 0.184 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.227 2.537 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.344 -0.403 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.112 0.652 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.376 1.706 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.737 0.431 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.626 -1.236 -0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.378 0.087 0.677 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.326 0.447 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.390 -2.224 0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.811 -2.973 -0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.119 -0.566 -2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.780 -2.044 -2.137 1.00 0.00 H new ATOM 636 N VAL A 42 -8.883 1.271 1.052 1.00 0.00 N ATOM 637 CA VAL A 42 -7.994 1.353 2.075 1.00 0.00 C ATOM 638 C VAL A 42 -7.163 2.630 1.950 1.00 0.00 C ATOM 639 O VAL A 42 -7.003 3.364 2.916 1.00 0.00 O ATOM 640 CB VAL A 42 -7.266 0.027 2.327 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.840 0.212 2.590 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.951 -0.623 3.486 1.00 0.00 C ATOM 0 H VAL A 42 -8.510 0.767 0.247 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.510 1.480 3.027 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.314 -0.600 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.373 -0.758 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.371 0.694 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.711 0.838 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.468 -1.575 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.886 0.027 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.999 -0.796 3.239 1.00 0.00 H new ATOM 652 N VAL A 43 -6.702 2.912 0.728 1.00 0.00 N ATOM 653 CA VAL A 43 -6.215 4.189 0.331 1.00 0.00 C ATOM 654 C VAL A 43 -7.276 5.164 0.639 1.00 0.00 C ATOM 655 O VAL A 43 -7.103 6.080 1.378 1.00 0.00 O ATOM 656 CB VAL A 43 -5.954 4.179 -1.199 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.737 5.550 -1.729 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.817 3.191 -1.617 1.00 0.00 C ATOM 0 H VAL A 43 -6.666 2.219 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.288 4.440 0.847 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.862 3.796 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.558 5.501 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.620 6.159 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.873 5.998 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.681 3.229 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.888 3.476 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.088 2.178 -1.321 1.00 0.00 H new ATOM 668 N GLN A 44 -8.390 4.865 0.177 1.00 0.00 N ATOM 669 CA GLN A 44 -9.490 5.679 0.318 1.00 0.00 C ATOM 670 C GLN A 44 -9.998 5.664 1.779 1.00 0.00 C ATOM 671 O GLN A 44 -10.566 6.670 2.260 1.00 0.00 O ATOM 672 CB GLN A 44 -10.503 5.269 -0.732 1.00 0.00 C ATOM 673 CG GLN A 44 -9.917 5.461 -2.137 1.00 0.00 C ATOM 674 CD GLN A 44 -9.900 6.909 -2.611 1.00 0.00 C ATOM 675 OE1 GLN A 44 -9.820 7.858 -1.808 1.00 0.00 O ATOM 676 NE2 GLN A 44 -9.960 7.099 -3.905 1.00 0.00 N ATOM 0 H GLN A 44 -8.574 4.003 -0.337 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.253 6.728 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.786 4.226 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.410 5.863 -0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.898 5.074 -2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.494 4.865 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.025 6.300 -4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.942 8.046 -4.283 1.00 0.00 H new ATOM 685 N HIS A 45 -9.677 4.554 2.530 1.00 0.00 N ATOM 686 CA HIS A 45 -10.097 4.458 3.948 1.00 0.00 C ATOM 687 C HIS A 45 -9.372 5.417 4.675 1.00 0.00 C ATOM 688 O HIS A 45 -9.938 6.241 5.309 1.00 0.00 O ATOM 689 CB HIS A 45 -9.904 3.074 4.630 1.00 0.00 C ATOM 690 CG HIS A 45 -10.494 2.930 6.009 1.00 0.00 C ATOM 691 ND1 HIS A 45 -9.734 2.917 7.161 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.771 2.704 6.404 1.00 0.00 C ATOM 693 CE1 HIS A 45 -10.519 2.681 8.196 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.754 2.549 7.765 1.00 0.00 N ATOM 0 H HIS A 45 -9.151 3.753 2.182 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.174 4.624 3.949 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.342 2.310 3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.836 2.866 4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.640 2.655 5.765 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.200 2.608 9.225 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -12.568 2.361 8.350 1.00 0.00 H new ATOM 703 N THR A 46 -8.106 5.327 4.523 1.00 0.00 N ATOM 704 CA THR A 46 -7.214 6.160 5.187 1.00 0.00 C ATOM 705 C THR A 46 -7.563 7.600 4.999 1.00 0.00 C ATOM 706 O THR A 46 -7.748 8.281 5.942 1.00 0.00 O ATOM 707 CB THR A 46 -5.717 5.862 4.818 1.00 0.00 C ATOM 708 OG1 THR A 46 -4.902 6.434 5.739 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.235 6.425 3.553 1.00 0.00 C ATOM 0 H THR A 46 -7.659 4.645 3.910 1.00 0.00 H new ATOM 0 HA THR A 46 -7.312 5.938 6.250 1.00 0.00 H new ATOM 0 HB THR A 46 -5.691 4.774 4.762 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.968 6.247 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.190 6.152 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.830 6.031 2.729 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.326 7.511 3.580 1.00 0.00 H new ATOM 717 N LYS A 47 -7.785 8.014 3.809 1.00 0.00 N ATOM 718 CA LYS A 47 -7.857 9.417 3.520 1.00 0.00 C ATOM 719 C LYS A 47 -9.100 10.031 4.072 1.00 0.00 C ATOM 720 O LYS A 47 -9.096 11.198 4.473 1.00 0.00 O ATOM 721 CB LYS A 47 -7.871 9.576 2.102 1.00 0.00 C ATOM 722 CG LYS A 47 -6.721 8.872 1.385 1.00 0.00 C ATOM 723 CD LYS A 47 -6.818 9.073 -0.080 1.00 0.00 C ATOM 724 CE LYS A 47 -6.065 10.279 -0.432 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.498 10.870 -1.717 1.00 0.00 N ATOM 0 H LYS A 47 -7.923 7.404 3.003 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.999 9.910 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.815 9.194 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.836 10.640 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.768 9.258 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.741 7.806 1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.418 8.208 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.861 9.176 -0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.181 11.019 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.004 10.036 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.932 11.720 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.363 10.177 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.503 11.129 -1.659 1.00 0.00 H new ATOM 739 N GLY A 48 -10.168 9.279 4.078 1.00 0.00 N ATOM 740 CA GLY A 48 -11.328 9.790 4.720 1.00 0.00 C ATOM 741 C GLY A 48 -11.201 9.605 6.217 1.00 0.00 C ATOM 742 O GLY A 48 -11.827 10.325 7.005 1.00 0.00 O ATOM 0 H GLY A 48 -10.252 8.351 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.452 10.847 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.216 9.275 4.353 1.00 0.00 H new ATOM 746 N CYS A 49 -10.337 8.687 6.600 1.00 0.00 N ATOM 747 CA CYS A 49 -10.136 8.347 7.985 1.00 0.00 C ATOM 748 C CYS A 49 -8.952 9.070 8.554 1.00 0.00 C ATOM 749 O CYS A 49 -7.993 8.449 8.728 1.00 0.00 O ATOM 750 CB CYS A 49 -9.970 6.790 8.210 1.00 0.00 C ATOM 751 SG CYS A 49 -11.484 5.874 7.867 1.00 0.00 S ATOM 0 H CYS A 49 -9.754 8.156 5.953 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.037 8.664 8.510 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.171 6.417 7.569 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.664 6.606 9.240 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.456 5.431 6.645 1.00 0.00 H new ATOM 757 N LYS A 50 -9.014 10.380 8.899 1.00 0.00 N ATOM 758 CA LYS A 50 -7.779 11.124 9.450 1.00 0.00 C ATOM 759 C LYS A 50 -7.329 10.563 10.773 1.00 0.00 C ATOM 760 O LYS A 50 -6.193 10.818 11.342 1.00 0.00 O ATOM 761 CB LYS A 50 -7.970 12.561 9.558 1.00 0.00 C ATOM 762 CG LYS A 50 -8.198 13.281 8.228 1.00 0.00 C ATOM 763 CD LYS A 50 -7.191 12.889 7.140 1.00 0.00 C ATOM 764 CE LYS A 50 -5.767 13.262 7.508 1.00 0.00 C ATOM 765 NZ LYS A 50 -5.595 14.722 7.682 1.00 0.00 N ATOM 0 H LYS A 50 -9.855 10.953 8.822 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.995 10.958 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.823 12.752 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.095 12.994 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.206 13.064 7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.143 14.357 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.249 11.815 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.462 13.379 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.487 12.753 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.089 12.909 6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.582 14.945 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.993 15.219 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.088 15.029 8.545 1.00 0.00 H new ATOM 779 N ARG A 51 -8.138 9.673 11.210 1.00 0.00 N ATOM 780 CA ARG A 51 -7.842 8.845 12.289 1.00 0.00 C ATOM 781 C ARG A 51 -6.662 7.923 11.919 1.00 0.00 C ATOM 782 O ARG A 51 -6.204 7.134 12.753 1.00 0.00 O ATOM 783 CB ARG A 51 -9.040 8.083 12.862 1.00 0.00 C ATOM 784 CG ARG A 51 -10.179 8.958 13.367 1.00 0.00 C ATOM 785 CD ARG A 51 -9.840 9.723 14.643 1.00 0.00 C ATOM 786 NE ARG A 51 -9.765 8.853 15.819 1.00 0.00 N ATOM 787 CZ ARG A 51 -9.262 9.219 17.007 1.00 0.00 C ATOM 788 NH1 ARG A 51 -8.699 10.423 17.159 1.00 0.00 N ATOM 789 NH2 ARG A 51 -9.319 8.379 18.038 1.00 0.00 N ATOM 0 H ARG A 51 -9.057 9.504 10.802 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.545 9.491 13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.428 7.416 12.093 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.693 7.455 13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.452 9.670 12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.053 8.333 13.549 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.886 10.235 14.513 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.594 10.492 14.812 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.121 7.901 15.728 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.651 11.067 16.369 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.318 10.697 18.065 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.745 7.459 17.923 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.937 8.655 18.943 1.00 0.00 H new ATOM 803 N LYS A 52 -6.213 8.066 10.645 1.00 0.00 N ATOM 804 CA LYS A 52 -5.241 7.301 9.996 1.00 0.00 C ATOM 805 C LYS A 52 -4.122 6.983 10.901 1.00 0.00 C ATOM 806 O LYS A 52 -3.976 5.827 11.338 1.00 0.00 O ATOM 807 CB LYS A 52 -4.621 8.216 8.874 1.00 0.00 C ATOM 808 CG LYS A 52 -5.452 8.597 7.735 1.00 0.00 C ATOM 809 CD LYS A 52 -4.636 9.459 6.747 1.00 0.00 C ATOM 810 CE LYS A 52 -5.246 9.502 5.488 1.00 0.00 C ATOM 811 NZ LYS A 52 -4.497 10.276 4.487 1.00 0.00 N ATOM 0 H LYS A 52 -6.585 8.795 10.037 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.700 6.384 9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.275 9.133 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.740 7.707 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.823 7.705 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.324 9.153 8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.536 10.471 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.629 9.053 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.374 8.483 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.243 9.931 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.974 10.206 3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.454 11.273 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.532 9.897 4.406 1.00 0.00 H new ATOM 825 N THR A 53 -3.336 7.936 11.200 1.00 0.00 N ATOM 826 CA THR A 53 -2.489 7.832 12.202 1.00 0.00 C ATOM 827 C THR A 53 -3.029 8.390 13.527 1.00 0.00 C ATOM 828 O THR A 53 -2.666 7.898 14.597 1.00 0.00 O ATOM 829 CB THR A 53 -1.067 8.173 11.791 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.046 9.458 11.132 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.614 7.076 10.802 1.00 0.00 C ATOM 0 H THR A 53 -3.300 8.827 10.704 1.00 0.00 H new ATOM 0 HA THR A 53 -2.396 6.779 12.469 1.00 0.00 H new ATOM 0 HB THR A 53 -0.408 8.220 12.658 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.127 9.676 10.870 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.407 7.278 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.652 6.104 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.276 7.071 9.936 1.00 0.00 H new ATOM 839 N ASN A 54 -3.987 9.413 13.448 1.00 0.00 N ATOM 840 CA ASN A 54 -4.399 10.126 14.671 1.00 0.00 C ATOM 841 C ASN A 54 -5.095 9.251 15.694 1.00 0.00 C ATOM 842 O ASN A 54 -4.937 9.453 16.892 1.00 0.00 O ATOM 843 CB ASN A 54 -5.246 11.361 14.378 1.00 0.00 C ATOM 844 CG ASN A 54 -4.457 12.507 13.751 1.00 0.00 C ATOM 845 OD1 ASN A 54 -3.901 13.353 14.449 1.00 0.00 O ATOM 846 ND2 ASN A 54 -4.422 12.565 12.447 1.00 0.00 N ATOM 0 H ASN A 54 -4.443 9.721 12.589 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.457 10.448 15.115 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.060 11.083 13.709 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.700 11.708 15.306 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.925 13.325 11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.892 11.850 11.892 1.00 0.00 H new ATOM 853 N GLY A 55 -5.841 8.284 15.239 1.00 0.00 N ATOM 854 CA GLY A 55 -6.547 7.420 16.153 1.00 0.00 C ATOM 855 C GLY A 55 -5.950 6.041 16.227 1.00 0.00 C ATOM 856 O GLY A 55 -6.460 5.174 16.950 1.00 0.00 O ATOM 0 H GLY A 55 -5.978 8.072 14.251 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.542 7.867 17.147 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.589 7.344 15.843 1.00 0.00 H new ATOM 860 N GLY A 56 -4.860 5.829 15.512 1.00 0.00 N ATOM 861 CA GLY A 56 -4.242 4.546 15.492 1.00 0.00 C ATOM 862 C GLY A 56 -5.060 3.562 14.804 1.00 0.00 C ATOM 863 O GLY A 56 -5.254 2.462 15.306 1.00 0.00 O ATOM 0 H GLY A 56 -4.396 6.537 14.943 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.271 4.618 15.002 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.059 4.215 16.514 1.00 0.00 H new ATOM 867 N CYS A 57 -5.550 3.910 13.664 1.00 0.00 N ATOM 868 CA CYS A 57 -6.321 2.944 12.956 1.00 0.00 C ATOM 869 C CYS A 57 -5.388 2.384 11.950 1.00 0.00 C ATOM 870 O CYS A 57 -5.334 2.933 10.824 1.00 0.00 O ATOM 871 CB CYS A 57 -7.586 3.550 12.255 1.00 0.00 C ATOM 872 SG CYS A 57 -8.644 2.343 11.410 1.00 0.00 S ATOM 0 H CYS A 57 -5.439 4.819 13.214 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.718 2.195 13.642 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.182 4.073 13.003 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.259 4.295 11.530 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.830 2.847 11.243 1.00 0.00 H new ATOM 878 N PRO A 58 -4.525 1.345 12.261 1.00 0.00 N ATOM 879 CA PRO A 58 -3.508 1.278 11.275 1.00 0.00 C ATOM 880 C PRO A 58 -3.784 0.404 10.046 1.00 0.00 C ATOM 881 O PRO A 58 -2.937 -0.437 9.681 1.00 0.00 O ATOM 882 CB PRO A 58 -2.720 0.228 12.101 1.00 0.00 C ATOM 883 CG PRO A 58 -3.840 -0.711 12.421 1.00 0.00 C ATOM 884 CD PRO A 58 -4.799 0.156 13.023 1.00 0.00 C ATOM 0 HA PRO A 58 -3.189 2.260 10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.924 -0.247 11.528 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.260 0.654 12.993 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.233 -1.195 11.527 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.525 -1.504 13.100 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.823 -0.197 12.901 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.634 0.292 14.092 1.00 0.00 H new ATOM 892 N ILE A 59 -4.469 0.967 9.207 1.00 0.00 N ATOM 893 CA ILE A 59 -4.524 0.683 7.921 1.00 0.00 C ATOM 894 C ILE A 59 -3.723 1.563 7.251 1.00 0.00 C ATOM 895 O ILE A 59 -2.798 1.220 6.781 1.00 0.00 O ATOM 896 CB ILE A 59 -5.914 0.406 7.473 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.173 0.499 6.042 1.00 0.00 C ATOM 898 CG2 ILE A 59 -7.019 0.892 8.360 1.00 0.00 C ATOM 899 CD1 ILE A 59 -6.444 1.899 5.501 1.00 0.00 C ATOM 0 H ILE A 59 -5.083 1.742 9.455 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.085 -0.280 7.659 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.951 -0.671 7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.316 0.085 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.030 -0.132 5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.981 0.627 7.921 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.928 0.428 9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.953 1.975 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.623 1.846 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.322 2.316 5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.582 2.537 5.694 1.00 0.00 H new ATOM 911 N CYS A 60 -4.086 2.798 7.496 1.00 0.00 N ATOM 912 CA CYS A 60 -3.466 4.058 7.145 1.00 0.00 C ATOM 913 C CYS A 60 -2.110 4.141 7.638 1.00 0.00 C ATOM 914 O CYS A 60 -1.343 4.823 7.125 1.00 0.00 O ATOM 915 CB CYS A 60 -4.169 5.051 7.996 1.00 0.00 C ATOM 916 SG CYS A 60 -5.969 4.791 8.070 1.00 0.00 S ATOM 0 H CYS A 60 -4.944 2.967 8.020 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.500 4.193 6.064 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.761 5.007 9.006 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.969 6.052 7.614 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.257 4.039 9.091 1.00 0.00 H new ATOM 922 N LYS A 61 -1.899 3.556 8.715 1.00 0.00 N ATOM 923 CA LYS A 61 -0.671 3.593 9.326 1.00 0.00 C ATOM 924 C LYS A 61 0.167 2.632 8.709 1.00 0.00 C ATOM 925 O LYS A 61 1.257 2.963 8.313 1.00 0.00 O ATOM 926 CB LYS A 61 -0.785 3.325 10.723 1.00 0.00 C ATOM 927 CG LYS A 61 0.483 3.515 11.419 1.00 0.00 C ATOM 928 CD LYS A 61 0.381 2.882 12.738 1.00 0.00 C ATOM 929 CE LYS A 61 -0.807 3.371 13.598 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.534 3.151 15.030 1.00 0.00 N ATOM 0 H LYS A 61 -2.604 3.016 9.217 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.243 4.590 9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.540 3.980 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.130 2.301 10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.300 3.074 10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.704 4.577 11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.295 1.804 12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.306 3.062 13.285 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.984 4.431 13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.715 2.841 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.342 3.485 15.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.387 2.136 15.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.320 3.676 15.305 1.00 0.00 H new ATOM 944 N GLN A 62 -0.324 1.413 8.563 1.00 0.00 N ATOM 945 CA GLN A 62 0.511 0.501 7.909 1.00 0.00 C ATOM 946 C GLN A 62 0.504 0.708 6.393 1.00 0.00 C ATOM 947 O GLN A 62 1.349 0.255 5.731 1.00 0.00 O ATOM 948 CB GLN A 62 0.316 -0.881 8.429 1.00 0.00 C ATOM 949 CG GLN A 62 0.448 -0.851 10.006 1.00 0.00 C ATOM 950 CD GLN A 62 0.710 -2.181 10.749 1.00 0.00 C ATOM 951 OE1 GLN A 62 0.159 -3.282 10.343 1.00 0.00 O flip ATOM 952 NE2 GLN A 62 1.370 -2.170 11.788 1.00 0.00 N flip ATOM 0 H GLN A 62 -1.235 1.075 8.874 1.00 0.00 H new ATOM 0 HA GLN A 62 1.553 0.701 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.664 -1.260 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.058 -1.555 8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.257 -0.165 10.258 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.470 -0.422 10.408 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.804 -1.304 12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.483 -3.027 12.329 1.00 0.00 H new ATOM 961 N LEU A 63 -0.485 1.425 5.930 1.00 0.00 N ATOM 962 CA LEU A 63 -0.633 1.996 4.606 1.00 0.00 C ATOM 963 C LEU A 63 0.263 3.187 4.411 1.00 0.00 C ATOM 964 O LEU A 63 0.844 3.267 3.450 1.00 0.00 O ATOM 965 CB LEU A 63 -2.068 2.351 4.355 1.00 0.00 C ATOM 966 CG LEU A 63 -2.380 3.295 3.283 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.801 2.848 2.033 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.779 3.295 3.115 1.00 0.00 C ATOM 0 H LEU A 63 -1.285 1.648 6.521 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.327 1.245 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.606 1.426 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.475 2.756 5.281 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.988 4.279 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.042 3.561 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.719 2.776 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.206 1.870 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.050 3.990 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.114 2.292 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.257 3.603 4.045 1.00 0.00 H new ATOM 980 N ILE A 64 0.300 4.153 5.312 1.00 0.00 N ATOM 981 CA ILE A 64 1.333 5.206 5.279 1.00 0.00 C ATOM 982 C ILE A 64 2.638 4.541 5.247 1.00 0.00 C ATOM 983 O ILE A 64 3.460 4.886 4.486 1.00 0.00 O ATOM 984 CB ILE A 64 1.302 6.142 6.545 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.229 7.221 6.470 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.680 6.658 6.995 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.267 8.243 7.579 1.00 0.00 C ATOM 0 H ILE A 64 -0.366 4.241 6.079 1.00 0.00 H new ATOM 0 HA ILE A 64 1.147 5.829 4.404 1.00 0.00 H new ATOM 0 HB ILE A 64 0.995 5.488 7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.324 7.740 5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.749 6.739 6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.562 7.294 7.872 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.322 5.813 7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.134 7.234 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.536 8.966 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.137 7.743 8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.227 8.759 7.565 1.00 0.00 H new ATOM 999 N ALA A 65 2.795 3.609 6.108 1.00 0.00 N ATOM 1000 CA ALA A 65 3.944 2.820 6.163 1.00 0.00 C ATOM 1001 C ALA A 65 4.190 2.218 4.801 1.00 0.00 C ATOM 1002 O ALA A 65 5.192 2.426 4.188 1.00 0.00 O ATOM 1003 CB ALA A 65 3.720 1.741 7.142 1.00 0.00 C ATOM 0 H ALA A 65 2.098 3.374 6.814 1.00 0.00 H new ATOM 0 HA ALA A 65 4.806 3.419 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.608 1.112 7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.518 2.175 8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.868 1.137 6.830 1.00 0.00 H new ATOM 1009 N LEU A 66 3.223 1.547 4.347 1.00 0.00 N ATOM 1010 CA LEU A 66 3.217 0.949 3.095 1.00 0.00 C ATOM 1011 C LEU A 66 3.512 1.954 1.915 1.00 0.00 C ATOM 1012 O LEU A 66 4.518 1.827 1.203 1.00 0.00 O ATOM 1013 CB LEU A 66 1.905 0.221 2.950 1.00 0.00 C ATOM 1014 CG LEU A 66 1.553 -0.153 1.583 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.412 -1.190 1.218 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.158 -0.596 1.367 1.00 0.00 C ATOM 0 H LEU A 66 2.363 1.392 4.873 1.00 0.00 H new ATOM 0 HA LEU A 66 4.041 0.239 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.939 -0.682 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.112 0.850 3.354 1.00 0.00 H new ATOM 0 HG LEU A 66 1.652 0.748 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.188 -1.506 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.444 -0.844 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.276 -2.031 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.015 -0.847 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.044 -1.474 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.526 0.206 1.645 1.00 0.00 H new ATOM 1028 N ALA A 67 2.654 2.917 1.769 1.00 0.00 N ATOM 1029 CA ALA A 67 2.716 3.936 0.811 1.00 0.00 C ATOM 1030 C ALA A 67 4.015 4.706 0.896 1.00 0.00 C ATOM 1031 O ALA A 67 4.775 4.736 -0.056 1.00 0.00 O ATOM 1032 CB ALA A 67 1.511 4.861 0.978 1.00 0.00 C ATOM 0 H ALA A 67 1.836 3.001 2.372 1.00 0.00 H new ATOM 0 HA ALA A 67 2.686 3.485 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.556 5.656 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.592 4.290 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.524 5.298 1.976 1.00 0.00 H new ATOM 1038 N ALA A 68 4.268 5.302 2.047 1.00 0.00 N ATOM 1039 CA ALA A 68 5.442 6.167 2.274 1.00 0.00 C ATOM 1040 C ALA A 68 6.737 5.496 2.170 1.00 0.00 C ATOM 1041 O ALA A 68 7.663 6.032 1.603 1.00 0.00 O ATOM 1042 CB ALA A 68 5.404 6.862 3.574 1.00 0.00 C ATOM 0 H ALA A 68 3.667 5.207 2.866 1.00 0.00 H new ATOM 0 HA ALA A 68 5.362 6.882 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.294 7.482 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.515 7.491 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.374 6.127 4.379 1.00 0.00 H new ATOM 1048 N TYR A 69 6.841 4.347 2.726 1.00 0.00 N ATOM 1049 CA TYR A 69 8.044 3.652 2.697 1.00 0.00 C ATOM 1050 C TYR A 69 8.288 3.074 1.328 1.00 0.00 C ATOM 1051 O TYR A 69 9.396 2.668 0.996 1.00 0.00 O ATOM 1052 CB TYR A 69 8.029 2.656 3.784 1.00 0.00 C ATOM 1053 CG TYR A 69 8.040 3.249 5.199 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.863 4.304 5.540 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.242 2.724 6.182 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.884 4.815 6.821 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.245 3.224 7.465 1.00 0.00 C ATOM 1058 CZ TYR A 69 8.070 4.268 7.779 1.00 0.00 C ATOM 1059 OH TYR A 69 8.079 4.770 9.056 1.00 0.00 O ATOM 0 H TYR A 69 6.082 3.871 3.213 1.00 0.00 H new ATOM 0 HA TYR A 69 8.890 4.315 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.142 2.032 3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.895 2.003 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.504 4.738 4.787 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.593 1.895 5.944 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.537 5.640 7.067 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.600 2.795 8.218 1.00 0.00 H new ATOM 0 HH TYR A 69 7.443 4.269 9.609 1.00 0.00 H new ATOM 1069 N HIS A 70 7.249 3.060 0.529 1.00 0.00 N ATOM 1070 CA HIS A 70 7.419 2.747 -0.894 1.00 0.00 C ATOM 1071 C HIS A 70 7.874 3.991 -1.593 1.00 0.00 C ATOM 1072 O HIS A 70 8.793 3.964 -2.362 1.00 0.00 O ATOM 1073 CB HIS A 70 6.138 2.341 -1.627 1.00 0.00 C ATOM 1074 CG HIS A 70 6.392 1.909 -3.061 1.00 0.00 C ATOM 1075 ND1 HIS A 70 7.199 0.844 -3.404 1.00 0.00 N ATOM 1076 CD2 HIS A 70 5.970 2.442 -4.230 1.00 0.00 C ATOM 1077 CE1 HIS A 70 7.260 0.742 -4.713 1.00 0.00 C ATOM 1078 NE2 HIS A 70 6.524 1.699 -5.242 1.00 0.00 N ATOM 0 H HIS A 70 6.291 3.255 0.818 1.00 0.00 H new ATOM 0 HA HIS A 70 8.117 1.910 -0.920 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.658 1.525 -1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.441 3.179 -1.623 1.00 0.00 H new ATOM 0 HD1 HIS A 70 7.675 0.230 -2.743 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.318 3.295 -4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.819 -0.001 -5.263 1.00 0.00 H new ATOM 1087 N ALA A 71 7.105 5.043 -1.364 1.00 0.00 N ATOM 1088 CA ALA A 71 7.285 6.402 -1.871 1.00 0.00 C ATOM 1089 C ALA A 71 8.677 6.796 -1.759 1.00 0.00 C ATOM 1090 O ALA A 71 9.289 7.279 -2.698 1.00 0.00 O ATOM 1091 CB ALA A 71 6.511 7.260 -0.960 1.00 0.00 C ATOM 0 H ALA A 71 6.275 4.968 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 71 6.975 6.477 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.598 8.299 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.463 6.961 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.898 7.157 0.054 1.00 0.00 H new ATOM 1097 N LYS A 72 9.160 6.500 -0.622 1.00 0.00 N ATOM 1098 CA LYS A 72 10.486 6.738 -0.183 1.00 0.00 C ATOM 1099 C LYS A 72 11.504 6.248 -1.254 1.00 0.00 C ATOM 1100 O LYS A 72 12.572 6.831 -1.429 1.00 0.00 O ATOM 1101 CB LYS A 72 10.689 5.977 1.104 1.00 0.00 C ATOM 1102 CG LYS A 72 11.172 6.795 2.241 1.00 0.00 C ATOM 1103 CD LYS A 72 10.850 6.016 3.449 1.00 0.00 C ATOM 1104 CE LYS A 72 11.589 6.440 4.687 1.00 0.00 C ATOM 1105 NZ LYS A 72 11.336 7.836 5.088 1.00 0.00 N ATOM 0 H LYS A 72 8.594 6.045 0.094 1.00 0.00 H new ATOM 0 HA LYS A 72 10.645 7.805 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.745 5.510 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.402 5.172 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.244 6.978 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.683 7.769 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.779 6.091 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.066 4.965 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.309 5.780 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.658 6.308 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.879 8.054 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.629 8.476 4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.322 7.964 5.278 1.00 0.00 H new ATOM 1119 N HIS A 73 11.142 5.173 -1.965 1.00 0.00 N ATOM 1120 CA HIS A 73 11.949 4.677 -3.085 1.00 0.00 C ATOM 1121 C HIS A 73 11.152 4.637 -4.471 1.00 0.00 C ATOM 1122 O HIS A 73 11.632 4.043 -5.430 1.00 0.00 O ATOM 1123 CB HIS A 73 12.577 3.290 -2.745 1.00 0.00 C ATOM 1124 CG HIS A 73 13.717 2.894 -3.640 1.00 0.00 C ATOM 1125 ND1 HIS A 73 13.721 1.754 -4.407 1.00 0.00 N ATOM 1126 CD2 HIS A 73 14.915 3.481 -3.847 1.00 0.00 C ATOM 1127 CE1 HIS A 73 14.869 1.658 -5.043 1.00 0.00 C ATOM 1128 NE2 HIS A 73 15.610 2.691 -4.719 1.00 0.00 N ATOM 0 H HIS A 73 10.297 4.631 -1.784 1.00 0.00 H new ATOM 0 HA HIS A 73 12.755 5.396 -3.228 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.928 3.306 -1.713 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.800 2.527 -2.806 1.00 0.00 H new ATOM 0 HD2 HIS A 73 15.260 4.404 -3.405 1.00 0.00 H new ATOM 0 HE1 HIS A 73 15.153 0.864 -5.717 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.553 2.875 -5.062 1.00 0.00 H new ATOM 1137 N CYS A 74 9.961 5.282 -4.595 1.00 0.00 N ATOM 1138 CA CYS A 74 9.292 5.314 -5.885 1.00 0.00 C ATOM 1139 C CYS A 74 9.657 6.677 -6.460 1.00 0.00 C ATOM 1140 O CYS A 74 9.190 7.660 -5.915 1.00 0.00 O ATOM 1141 CB CYS A 74 7.703 5.201 -5.760 1.00 0.00 C ATOM 1142 SG CYS A 74 6.919 4.379 -7.170 1.00 0.00 S ATOM 0 H CYS A 74 9.475 5.764 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 74 9.602 4.471 -6.503 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.457 4.655 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.284 6.202 -5.655 1.00 0.00 H new ATOM 0 HG CYS A 74 6.550 3.181 -6.824 1.00 0.00 H new ATOM 1148 N GLN A 75 10.504 6.816 -7.488 1.00 0.00 N ATOM 1149 CA GLN A 75 10.802 8.172 -7.856 1.00 0.00 C ATOM 1150 C GLN A 75 9.780 8.686 -8.857 1.00 0.00 C ATOM 1151 O GLN A 75 9.932 8.508 -10.072 1.00 0.00 O ATOM 1152 CB GLN A 75 12.256 8.421 -8.334 1.00 0.00 C ATOM 1153 CG GLN A 75 13.346 7.961 -7.349 1.00 0.00 C ATOM 1154 CD GLN A 75 12.978 8.119 -5.851 1.00 0.00 C ATOM 1155 OE1 GLN A 75 12.534 7.181 -5.220 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.996 9.309 -5.329 1.00 0.00 N ATOM 0 H GLN A 75 10.950 6.073 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 75 10.727 8.750 -6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.404 7.908 -9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.384 9.487 -8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.573 6.913 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.257 8.527 -7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.370 10.094 -5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.636 9.458 -4.386 1.00 0.00 H new ATOM 1165 N GLU A 76 8.713 9.281 -8.340 1.00 0.00 N ATOM 1166 CA GLU A 76 7.633 9.772 -9.115 1.00 0.00 C ATOM 1167 C GLU A 76 6.918 10.773 -8.286 1.00 0.00 C ATOM 1168 O GLU A 76 6.867 10.648 -7.077 1.00 0.00 O ATOM 1169 CB GLU A 76 6.706 8.630 -9.570 1.00 0.00 C ATOM 1170 CG GLU A 76 5.382 9.092 -10.190 1.00 0.00 C ATOM 1171 CD GLU A 76 4.577 7.930 -10.696 1.00 0.00 C ATOM 1172 OE1 GLU A 76 4.249 7.035 -9.903 1.00 0.00 O ATOM 1173 OE2 GLU A 76 4.299 7.866 -11.905 1.00 0.00 O ATOM 0 H GLU A 76 8.593 9.429 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 76 7.997 10.239 -10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.238 8.016 -10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.488 7.993 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.803 9.641 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.584 9.781 -11.010 1.00 0.00 H new ATOM 1180 N ASN A 77 6.397 11.767 -8.906 1.00 0.00 N ATOM 1181 CA ASN A 77 5.771 12.815 -8.169 1.00 0.00 C ATOM 1182 C ASN A 77 4.291 12.875 -8.546 1.00 0.00 C ATOM 1183 O ASN A 77 3.519 13.718 -8.121 1.00 0.00 O ATOM 1184 CB ASN A 77 6.584 14.097 -8.372 1.00 0.00 C ATOM 1185 CG ASN A 77 6.350 15.199 -7.339 1.00 0.00 C ATOM 1186 OD1 ASN A 77 7.392 15.943 -7.030 1.00 0.00 O flip ATOM 1187 ND2 ASN A 77 5.265 15.373 -6.817 1.00 0.00 N flip ATOM 0 H ASN A 77 6.388 11.882 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 77 5.769 12.645 -7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.643 13.839 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.358 14.497 -9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.474 14.782 -7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.146 16.110 -6.122 1.00 0.00 H new ATOM 1194 N LYS A 78 3.927 11.931 -9.353 1.00 0.00 N ATOM 1195 CA LYS A 78 2.573 11.732 -9.790 1.00 0.00 C ATOM 1196 C LYS A 78 2.091 10.370 -9.390 1.00 0.00 C ATOM 1197 O LYS A 78 1.225 9.793 -10.053 1.00 0.00 O ATOM 1198 CB LYS A 78 2.464 11.868 -11.296 1.00 0.00 C ATOM 1199 CG LYS A 78 2.124 13.260 -11.796 1.00 0.00 C ATOM 1200 CD LYS A 78 3.354 14.086 -12.137 1.00 0.00 C ATOM 1201 CE LYS A 78 4.036 13.560 -13.392 1.00 0.00 C ATOM 1202 NZ LYS A 78 5.170 14.403 -13.811 1.00 0.00 N ATOM 0 H LYS A 78 4.582 11.252 -9.742 1.00 0.00 H new ATOM 0 HA LYS A 78 1.957 12.496 -9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.410 11.560 -11.742 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.702 11.175 -11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.492 13.178 -12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.543 13.781 -11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.067 15.127 -12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.054 14.063 -11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.389 12.545 -13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.309 13.506 -14.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.601 14.004 -14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.832 15.366 -14.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.879 14.435 -13.050 1.00 0.00 H new ATOM 1216 N CYS A 79 2.633 9.854 -8.322 1.00 0.00 N ATOM 1217 CA CYS A 79 2.215 8.575 -7.828 1.00 0.00 C ATOM 1218 C CYS A 79 0.732 8.600 -7.490 1.00 0.00 C ATOM 1219 O CYS A 79 0.258 9.532 -6.878 1.00 0.00 O ATOM 1220 CB CYS A 79 3.018 8.183 -6.607 1.00 0.00 C ATOM 1221 SG CYS A 79 4.761 7.932 -6.923 1.00 0.00 S ATOM 0 H CYS A 79 3.368 10.303 -7.776 1.00 0.00 H new ATOM 0 HA CYS A 79 2.389 7.834 -8.608 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.906 8.958 -5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.600 7.266 -6.191 1.00 0.00 H new ATOM 0 HG CYS A 79 5.368 9.081 -6.942 1.00 0.00 H new ATOM 1227 N PRO A 80 -0.003 7.559 -7.879 1.00 0.00 N ATOM 1228 CA PRO A 80 -1.457 7.461 -7.644 1.00 0.00 C ATOM 1229 C PRO A 80 -1.775 7.177 -6.225 1.00 0.00 C ATOM 1230 O PRO A 80 -2.925 7.203 -5.800 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.863 6.296 -8.542 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.648 5.471 -8.771 1.00 0.00 C ATOM 1233 CD PRO A 80 0.537 6.355 -8.563 1.00 0.00 C ATOM 0 HA PRO A 80 -1.984 8.390 -7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.647 5.703 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.264 6.661 -9.488 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.622 4.626 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.648 5.060 -9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.296 5.862 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.007 6.616 -9.511 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.758 7.013 -5.493 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.841 6.513 -4.210 1.00 0.00 C ATOM 1243 C VAL A 81 -0.614 7.589 -3.151 1.00 0.00 C ATOM 1244 O VAL A 81 0.264 8.554 -3.341 1.00 0.00 O ATOM 1245 CB VAL A 81 0.207 5.367 -4.077 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.179 4.630 -2.720 1.00 0.00 C ATOM 1247 CG2 VAL A 81 0.027 4.407 -5.225 1.00 0.00 C ATOM 0 H VAL A 81 0.192 7.235 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.848 6.134 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 81 1.194 5.829 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.940 3.849 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.380 5.339 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.803 4.181 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.755 3.600 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.980 3.991 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.175 4.935 -6.167 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.393 7.416 -1.995 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.225 8.072 -0.757 1.00 0.00 C ATOM 1259 C PRO A 82 0.162 7.801 -0.367 1.00 0.00 C ATOM 1260 O PRO A 82 0.798 6.965 -0.951 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.226 7.460 0.226 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.526 6.191 -0.382 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.452 6.479 -1.873 1.00 0.00 C ATOM 0 HA PRO A 82 -1.402 9.147 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.797 7.342 1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.117 8.078 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.809 5.426 -0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.513 5.832 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.250 5.573 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.391 6.888 -2.247 1.00 0.00 H new ATOM 1271 N PHE A 83 0.538 8.282 0.690 1.00 0.00 N ATOM 1272 CA PHE A 83 1.792 8.880 0.852 1.00 0.00 C ATOM 1273 C PHE A 83 2.963 8.212 0.061 1.00 0.00 C ATOM 1274 O PHE A 83 3.794 7.554 0.480 1.00 0.00 O ATOM 1275 CB PHE A 83 2.060 8.825 2.341 1.00 0.00 C ATOM 1276 CG PHE A 83 0.870 9.276 3.221 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -0.229 8.422 3.412 1.00 0.00 C ATOM 1278 CD2 PHE A 83 0.825 10.523 3.811 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.318 8.803 4.141 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -0.281 10.905 4.566 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.353 10.030 4.719 1.00 0.00 C ATOM 0 H PHE A 83 -0.031 8.286 1.536 1.00 0.00 H new ATOM 0 HA PHE A 83 1.758 9.890 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.330 7.804 2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.922 9.453 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.212 7.437 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.652 11.206 3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.152 8.127 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.307 11.879 5.032 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.214 10.328 5.299 1.00 0.00 H new ATOM 1291 N CYS A 84 2.849 8.651 -1.089 1.00 0.00 N ATOM 1292 CA CYS A 84 3.486 8.729 -2.309 1.00 0.00 C ATOM 1293 C CYS A 84 3.035 10.146 -2.549 1.00 0.00 C ATOM 1294 O CYS A 84 2.972 10.794 -1.559 1.00 0.00 O ATOM 1295 CB CYS A 84 3.106 7.653 -3.334 1.00 0.00 C ATOM 1296 SG CYS A 84 3.484 5.969 -2.795 1.00 0.00 S ATOM 0 H CYS A 84 1.971 9.149 -1.236 1.00 0.00 H new ATOM 0 HA CYS A 84 4.557 8.535 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.039 7.726 -3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.631 7.852 -4.268 1.00 0.00 H new ATOM 0 HG CYS A 84 3.671 5.957 -1.509 1.00 0.00 H new ATOM 1302 N LEU A 85 2.713 10.635 -3.745 1.00 0.00 N ATOM 1303 CA LEU A 85 2.768 12.144 -4.249 1.00 0.00 C ATOM 1304 C LEU A 85 2.456 13.382 -3.231 1.00 0.00 C ATOM 1305 O LEU A 85 2.209 14.504 -3.656 1.00 0.00 O ATOM 1306 CB LEU A 85 1.692 12.274 -5.352 1.00 0.00 C ATOM 1307 CG LEU A 85 0.229 12.438 -4.884 1.00 0.00 C ATOM 1308 CD1 LEU A 85 -0.675 12.382 -6.029 1.00 0.00 C ATOM 1309 CD2 LEU A 85 -0.152 11.404 -3.892 1.00 0.00 C ATOM 0 H LEU A 85 2.379 10.014 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 85 3.820 12.265 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.947 13.131 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.748 11.390 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 85 0.147 13.411 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.703 12.499 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.431 13.185 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.567 11.421 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.188 11.555 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.045 10.415 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.496 11.481 -3.019 1.00 0.00 H new ATOM 1321 N ASN A 86 2.485 13.130 -1.966 1.00 0.00 N ATOM 1322 CA ASN A 86 2.468 14.071 -0.862 1.00 0.00 C ATOM 1323 C ASN A 86 3.732 13.809 0.027 1.00 0.00 C ATOM 1324 O ASN A 86 4.272 14.729 0.621 1.00 0.00 O ATOM 1325 CB ASN A 86 1.171 13.997 -0.033 1.00 0.00 C ATOM 1326 CG ASN A 86 0.817 12.600 0.394 1.00 0.00 C ATOM 1327 OD1 ASN A 86 1.308 12.108 1.382 1.00 0.00 O ATOM 1328 ND2 ASN A 86 -0.072 11.969 -0.336 1.00 0.00 N ATOM 0 H ASN A 86 2.525 12.168 -1.631 1.00 0.00 H new ATOM 0 HA ASN A 86 2.495 15.083 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.278 14.624 0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.350 14.410 -0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.371 11.029 -0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.464 12.418 -1.164 1.00 0.00 H new ATOM 1335 N ILE A 87 4.179 12.516 0.123 1.00 0.00 N ATOM 1336 CA ILE A 87 5.517 12.181 0.709 1.00 0.00 C ATOM 1337 C ILE A 87 6.527 12.350 -0.394 1.00 0.00 C ATOM 1338 O ILE A 87 7.688 12.696 -0.176 1.00 0.00 O ATOM 1339 CB ILE A 87 5.624 10.738 1.426 1.00 0.00 C ATOM 1340 CG1 ILE A 87 4.928 10.799 2.805 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.099 10.210 1.571 1.00 0.00 C ATOM 1342 CD1 ILE A 87 5.554 11.769 3.794 1.00 0.00 C ATOM 0 H ILE A 87 3.644 11.706 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 87 5.707 12.862 1.539 1.00 0.00 H new ATOM 0 HB ILE A 87 5.119 10.021 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.884 11.076 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.934 9.801 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.090 9.237 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.550 10.115 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.680 10.912 2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.998 11.742 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.590 11.483 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.524 12.778 3.383 1.00 0.00 H new ATOM 1354 N LYS A 88 6.049 12.196 -1.615 1.00 0.00 N ATOM 1355 CA LYS A 88 6.846 12.509 -2.766 1.00 0.00 C ATOM 1356 C LYS A 88 6.597 13.963 -3.045 1.00 0.00 C ATOM 1357 O LYS A 88 5.930 14.343 -3.998 1.00 0.00 O ATOM 1358 CB LYS A 88 6.359 11.694 -3.948 1.00 0.00 C ATOM 1359 CG LYS A 88 6.414 10.186 -3.759 1.00 0.00 C ATOM 1360 CD LYS A 88 7.702 9.592 -4.269 1.00 0.00 C ATOM 1361 CE LYS A 88 8.923 10.078 -3.533 1.00 0.00 C ATOM 1362 NZ LYS A 88 10.146 9.525 -4.115 1.00 0.00 N ATOM 0 H LYS A 88 5.111 11.855 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 88 7.902 12.294 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.330 11.980 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.956 11.957 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.302 9.950 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.574 9.726 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.648 8.506 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.808 9.829 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.961 11.167 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.856 9.793 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.572 8.849 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.917 9.037 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.819 10.295 -4.305 1.00 0.00 H new ATOM 1586 N SER B 12 6.043 -3.454 8.734 1.00 0.00 N ATOM 1587 CA SER B 12 5.529 -4.802 8.549 1.00 0.00 C ATOM 1588 C SER B 12 4.298 -4.892 7.584 1.00 0.00 C ATOM 1589 O SER B 12 3.247 -4.276 7.800 1.00 0.00 O ATOM 1590 CB SER B 12 5.235 -5.400 9.917 1.00 0.00 C ATOM 1591 OG SER B 12 4.684 -4.408 10.779 1.00 0.00 O ATOM 0 HA SER B 12 6.298 -5.387 8.045 1.00 0.00 H new ATOM 0 HB2 SER B 12 4.538 -6.232 9.816 1.00 0.00 H new ATOM 0 HB3 SER B 12 6.151 -5.802 10.351 1.00 0.00 H new ATOM 0 HG SER B 12 4.959 -3.519 10.472 1.00 0.00 H new ATOM 1597 N PRO B 13 4.440 -5.701 6.528 1.00 0.00 N ATOM 1598 CA PRO B 13 3.436 -5.851 5.438 1.00 0.00 C ATOM 1599 C PRO B 13 2.130 -6.516 5.794 1.00 0.00 C ATOM 1600 O PRO B 13 1.120 -6.317 5.093 1.00 0.00 O ATOM 1601 CB PRO B 13 4.110 -6.753 4.452 1.00 0.00 C ATOM 1602 CG PRO B 13 5.277 -7.374 5.135 1.00 0.00 C ATOM 1603 CD PRO B 13 5.648 -6.502 6.271 1.00 0.00 C ATOM 0 HA PRO B 13 3.161 -4.849 5.109 1.00 0.00 H new ATOM 0 HB2 PRO B 13 3.420 -7.520 4.100 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.434 -6.190 3.577 1.00 0.00 H new ATOM 0 HG2 PRO B 13 5.027 -8.375 5.487 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.113 -7.479 4.444 1.00 0.00 H new ATOM 0 HD2 PRO B 13 5.930 -7.088 7.146 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.500 -5.868 6.024 1.00 0.00 H new ATOM 1611 N ASP B 14 2.159 -7.248 6.855 1.00 0.00 N ATOM 1612 CA ASP B 14 1.078 -8.174 7.293 1.00 0.00 C ATOM 1613 C ASP B 14 -0.334 -7.623 7.123 1.00 0.00 C ATOM 1614 O ASP B 14 -1.244 -8.332 6.676 1.00 0.00 O ATOM 1615 CB ASP B 14 1.294 -8.588 8.757 1.00 0.00 C ATOM 1616 CG ASP B 14 0.169 -9.458 9.297 1.00 0.00 C ATOM 1617 OD1 ASP B 14 0.058 -10.625 8.890 1.00 0.00 O ATOM 1618 OD2 ASP B 14 -0.608 -8.992 10.163 1.00 0.00 O ATOM 0 H ASP B 14 2.955 -7.244 7.493 1.00 0.00 H new ATOM 0 HA ASP B 14 1.150 -9.037 6.631 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.237 -9.128 8.841 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.383 -7.693 9.373 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.522 -6.396 7.477 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.840 -5.797 7.366 1.00 0.00 C ATOM 1625 C ASP B 15 -2.306 -5.396 5.976 1.00 0.00 C ATOM 1626 O ASP B 15 -3.417 -5.719 5.612 1.00 0.00 O ATOM 1627 CB ASP B 15 -2.152 -4.740 8.416 1.00 0.00 C ATOM 1628 CG ASP B 15 -2.385 -5.298 9.818 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -1.416 -5.502 10.568 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -3.545 -5.521 10.208 1.00 0.00 O ATOM 0 H ASP B 15 0.203 -5.780 7.844 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.465 -6.658 7.600 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -1.328 -4.027 8.453 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -3.038 -4.187 8.106 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.472 -4.756 5.162 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.936 -4.167 3.939 1.00 0.00 C ATOM 1637 C ILE B 16 -2.223 -5.191 2.919 1.00 0.00 C ATOM 1638 O ILE B 16 -3.050 -5.049 2.074 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.016 -3.042 3.453 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.415 -3.168 4.008 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -1.612 -1.736 3.860 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.522 -2.649 5.402 1.00 0.00 C ATOM 0 H ILE B 16 -0.474 -4.639 5.339 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.890 -3.681 4.144 1.00 0.00 H new ATOM 0 HB ILE B 16 -0.935 -3.110 2.368 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.721 -4.214 3.986 1.00 0.00 H new ATOM 0 HG13 ILE B 16 1.103 -2.621 3.364 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -0.970 -0.922 3.522 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.599 -1.630 3.410 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.703 -1.700 4.946 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.548 -2.758 5.753 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.242 -1.596 5.421 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.146 -3.214 6.053 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.539 -6.202 3.063 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.757 -7.444 2.334 1.00 0.00 C ATOM 1656 C GLU B 17 -3.084 -8.152 2.673 1.00 0.00 C ATOM 1657 O GLU B 17 -3.570 -8.974 1.902 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.613 -8.422 2.385 1.00 0.00 C ATOM 1659 CG GLU B 17 -0.301 -8.988 3.737 1.00 0.00 C ATOM 1660 CD GLU B 17 0.466 -10.281 3.641 1.00 0.00 C ATOM 1661 OE1 GLU B 17 1.209 -10.482 2.659 1.00 0.00 O ATOM 1662 OE2 GLU B 17 0.352 -11.128 4.564 1.00 0.00 O ATOM 0 H GLU B 17 -0.755 -6.249 3.714 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.823 -7.094 1.304 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.834 -9.247 1.708 1.00 0.00 H new ATOM 0 HB3 GLU B 17 0.280 -7.928 2.003 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.279 -8.264 4.309 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.229 -9.156 4.283 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.682 -7.855 3.795 1.00 0.00 N ATOM 1670 CA GLN B 18 -5.011 -8.377 4.039 1.00 0.00 C ATOM 1671 C GLN B 18 -5.917 -7.616 3.132 1.00 0.00 C ATOM 1672 O GLN B 18 -6.917 -8.143 2.570 1.00 0.00 O ATOM 1673 CB GLN B 18 -5.465 -8.135 5.473 1.00 0.00 C ATOM 1674 CG GLN B 18 -4.603 -8.767 6.516 1.00 0.00 C ATOM 1675 CD GLN B 18 -4.987 -8.367 7.913 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -6.153 -8.061 8.205 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -4.028 -8.375 8.789 1.00 0.00 N ATOM 0 H GLN B 18 -3.291 -7.274 4.537 1.00 0.00 H new ATOM 0 HA GLN B 18 -5.023 -9.453 3.867 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -5.500 -7.060 5.652 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -6.482 -8.510 5.586 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -4.666 -9.851 6.424 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.564 -8.491 6.337 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -3.082 -8.633 8.507 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -4.221 -8.123 9.758 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.489 -6.397 2.883 1.00 0.00 N ATOM 1687 CA TRP B 19 -6.263 -5.494 2.176 1.00 0.00 C ATOM 1688 C TRP B 19 -5.987 -5.666 0.678 1.00 0.00 C ATOM 1689 O TRP B 19 -6.845 -5.427 -0.141 1.00 0.00 O ATOM 1690 CB TRP B 19 -6.090 -4.051 2.740 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.332 -4.032 4.238 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -7.351 -4.626 4.910 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -5.554 -3.393 5.242 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -7.178 -4.519 6.228 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -6.112 -3.741 6.475 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -4.442 -2.598 5.231 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -5.581 -3.330 7.672 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -3.914 -2.178 6.429 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -4.489 -2.550 7.635 1.00 0.00 C ATOM 0 H TRP B 19 -4.583 -6.036 3.182 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.326 -5.695 2.307 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.085 -3.688 2.524 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.787 -3.375 2.245 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -8.189 -5.119 4.440 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -7.764 -4.959 6.937 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.986 -2.305 4.297 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -6.026 -3.624 8.611 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -3.037 -1.548 6.431 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -4.051 -2.206 8.560 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.781 -6.128 0.351 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.426 -6.490 -0.981 1.00 0.00 C ATOM 1712 C PHE B 20 -5.275 -7.636 -1.445 1.00 0.00 C ATOM 1713 O PHE B 20 -5.870 -7.568 -2.510 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.881 -6.729 -1.107 1.00 0.00 C ATOM 1715 CG PHE B 20 -2.353 -8.118 -1.477 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -2.144 -9.047 -0.510 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -2.019 -8.447 -2.779 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.618 -10.290 -0.796 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -1.500 -9.687 -3.089 1.00 0.00 C ATOM 1720 CZ PHE B 20 -1.296 -10.612 -2.092 1.00 0.00 C ATOM 0 H PHE B 20 -4.028 -6.256 1.027 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.638 -5.664 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.503 -6.029 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.431 -6.453 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.397 -8.807 0.512 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -2.167 -7.721 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -1.460 -11.007 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -1.255 -9.931 -4.112 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.886 -11.583 -2.326 1.00 0.00 H new ATOM 1730 N THR B 21 -5.255 -8.699 -0.693 1.00 0.00 N ATOM 1731 CA THR B 21 -6.112 -9.801 -0.930 1.00 0.00 C ATOM 1732 C THR B 21 -6.384 -10.647 0.308 1.00 0.00 C ATOM 1733 O THR B 21 -5.537 -11.418 0.771 1.00 0.00 O ATOM 1734 CB THR B 21 -5.830 -10.639 -2.213 1.00 0.00 C ATOM 1735 OG1 THR B 21 -6.953 -11.501 -2.498 1.00 0.00 O ATOM 1736 CG2 THR B 21 -4.658 -11.473 -2.006 1.00 0.00 C ATOM 0 H THR B 21 -4.633 -8.816 0.107 1.00 0.00 H new ATOM 0 HA THR B 21 -7.056 -9.312 -1.173 1.00 0.00 H new ATOM 0 HB THR B 21 -5.665 -9.954 -3.045 1.00 0.00 H new ATOM 0 HG1 THR B 21 -7.557 -11.518 -1.726 1.00 0.00 H new ATOM 0 HG21 THR B 21 -4.464 -12.058 -2.905 1.00 0.00 H new ATOM 0 HG22 THR B 21 -3.796 -10.842 -1.790 1.00 0.00 H new ATOM 0 HG23 THR B 21 -4.834 -12.146 -1.167 1.00 0.00 H new ATOM 1744 N GLU B 22 -7.472 -10.428 0.915 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.952 -11.418 1.842 1.00 0.00 C ATOM 1746 C GLU B 22 -8.702 -12.443 0.963 1.00 0.00 C ATOM 1747 O GLU B 22 -8.880 -12.186 -0.239 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.906 -10.804 2.879 1.00 0.00 C ATOM 1749 CG GLU B 22 -10.322 -10.531 2.355 1.00 0.00 C ATOM 1750 CD GLU B 22 -11.253 -9.977 3.404 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -11.616 -10.707 4.338 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -11.624 -8.793 3.306 1.00 0.00 O ATOM 0 H GLU B 22 -8.055 -9.598 0.808 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.137 -11.865 2.411 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.972 -11.475 3.736 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.478 -9.868 3.239 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -10.264 -9.828 1.524 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -10.740 -11.457 1.961 1.00 0.00 H new